smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1[O-] ZINC000184700961 455431729 /nfs/dbraw/zinc/43/17/29/455431729.db2.gz CVTGDKBZTKGMLQ-OAHLLOKOSA-N 0 3 335.835 3.224 10 10 EGCEHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1[O-] ZINC000184700961 455431731 /nfs/dbraw/zinc/43/17/31/455431731.db2.gz CVTGDKBZTKGMLQ-OAHLLOKOSA-N 0 3 335.835 3.224 10 10 EGCEHN Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc(C)c(C)cc3[O-])C2)n1 ZINC000152713262 454716555 /nfs/dbraw/zinc/71/65/55/454716555.db2.gz MUDYRZAEHZIGIA-QGZVFWFLSA-N 0 3 328.460 3.130 10 10 EGCEHN Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3[O-])C2)n1 ZINC000152713262 454716559 /nfs/dbraw/zinc/71/65/59/454716559.db2.gz MUDYRZAEHZIGIA-QGZVFWFLSA-N 0 3 328.460 3.130 10 10 EGCEHN CCCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c([O-])c1 ZINC000093691500 454729789 /nfs/dbraw/zinc/72/97/89/454729789.db2.gz WOYCEAPVPHCUSE-GOSISDBHSA-N 0 3 328.412 3.229 10 10 EGCEHN CCCOc1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c([O-])c1 ZINC000093691500 454729794 /nfs/dbraw/zinc/72/97/94/454729794.db2.gz WOYCEAPVPHCUSE-GOSISDBHSA-N 0 3 328.412 3.229 10 10 EGCEHN CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c([O-])ccc4ccccc43)[C@@H]2C1 ZINC000165265772 454897221 /nfs/dbraw/zinc/89/72/21/454897221.db2.gz IXAXDSVPEJAQSJ-XFQXTVEOSA-N 0 3 327.424 3.314 10 10 EGCEHN CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3c([O-])ccc4ccccc43)[C@@H]2C1 ZINC000165265772 454897225 /nfs/dbraw/zinc/89/72/25/454897225.db2.gz IXAXDSVPEJAQSJ-XFQXTVEOSA-N 0 3 327.424 3.314 10 10 EGCEHN CC(=O)c1cc(F)cc(CN2CCC(C[NH+]3CCCC3)CC2)c1[O-] ZINC000171138534 455036098 /nfs/dbraw/zinc/03/60/98/455036098.db2.gz LEHGAXHNGICMRM-UHFFFAOYSA-N 0 3 334.435 3.042 10 10 EGCEHN CN(C)c1ccc(CN[C@H](CO)c2cccc(Br)c2)cc1 ZINC000271817743 455773715 /nfs/dbraw/zinc/77/37/15/455773715.db2.gz MIGSHWREDMTATB-QGZVFWFLSA-N 0 3 349.272 3.338 10 10 EGCEHN CN1C[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCC1=O ZINC000293785136 455797226 /nfs/dbraw/zinc/79/72/26/455797226.db2.gz QJXDRPSFAVZPBG-IEBWSBKVSA-N 0 3 338.451 3.277 10 10 EGCEHN CCOc1ccc([O-])c(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000237073899 456227137 /nfs/dbraw/zinc/22/71/37/456227137.db2.gz HDKFLNRONRNSGH-QGZVFWFLSA-N 0 3 330.428 3.311 10 10 EGCEHN COc1cc([O-])c(C[NH2+]CCc2cccc3[nH]ccc32)cc1OC ZINC000282269234 456461547 /nfs/dbraw/zinc/46/15/47/456461547.db2.gz CKMAIDGISKFLDM-UHFFFAOYSA-N 0 3 326.396 3.223 10 10 EGCEHN Cc1cc(Cl)cc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1[O-] ZINC000362042674 458022355 /nfs/dbraw/zinc/02/23/55/458022355.db2.gz UVWVMYHROIIOEP-UHFFFAOYSA-N 0 3 346.862 3.271 10 10 EGCEHN CC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000376020181 458166606 /nfs/dbraw/zinc/16/66/06/458166606.db2.gz DYLHYARPKGOPLF-NHCUHLMSSA-N 0 3 344.499 3.447 10 10 EGCEHN CCCN(CCC)c1ccc(CN[C@@H]2CC(=O)N(C(C)C)C2)cc1 ZINC000738438811 576326210 /nfs/dbraw/zinc/32/62/10/576326210.db2.gz GELQCUXWGKTMKH-GOSISDBHSA-N 0 3 331.504 3.412 10 10 EGCEHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000022847552 1291226583 /nfs/dbraw/zinc/22/65/83/1291226583.db2.gz JLSFXHOYLSTBSP-UHFFFAOYSA-N 0 3 333.435 3.258 10 10 EGCEHN Cc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000186504358 1295332624 /nfs/dbraw/zinc/33/26/24/1295332624.db2.gz VALXJWPHPMPOTG-UHFFFAOYSA-N 0 3 325.456 3.167 10 10 EGCEHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000858137425 1328692179 /nfs/dbraw/zinc/69/21/79/1328692179.db2.gz PPXMMWYXECBEAT-MRXNPFEDSA-N 0 3 349.837 3.334 10 10 EGCEHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000858470352 1328770782 /nfs/dbraw/zinc/77/07/82/1328770782.db2.gz YVEXQXTXVALCOL-TYPHKJRUSA-N 0 3 341.451 3.196 10 10 EGCEHN Cc1cc(C(=O)NC[C@@H]2CCCN2C)c(C)n1-c1cccc(C)c1 ZINC000920474996 1322182168 /nfs/dbraw/zinc/18/21/68/1322182168.db2.gz YTQOICJFAASYQA-SFHVURJKSA-N 0 3 325.456 3.227 10 10 EGCEHN Cc1ncc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000862283089 1329473895 /nfs/dbraw/zinc/47/38/95/1329473895.db2.gz AFXUQUFAAHEOOV-CYBMUJFWSA-N 0 3 337.370 3.343 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1[O-] ZINC000862529869 1329492519 /nfs/dbraw/zinc/49/25/19/1329492519.db2.gz QNVRGVIXVVDGBU-KGLIPLIRSA-N 0 3 326.234 3.120 10 10 EGCEHN COC[C@]1(C)CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000862552343 1329495847 /nfs/dbraw/zinc/49/58/47/1329495847.db2.gz WUFXSSGHWNRYEF-FQEVSTJZSA-N 0 3 327.424 3.297 10 10 EGCEHN C[C@@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccccc1[O-] ZINC000866518364 1330121441 /nfs/dbraw/zinc/12/14/41/1330121441.db2.gz YHBUTQWBIDSVJO-IIAWOOMASA-N 0 3 331.437 3.048 10 10 EGCEHN COC(=O)C1(c2ccc(C[N@H+](C)Cc3ccccc3[O-])cc2)CC1 ZINC001307538369 1383999953 /nfs/dbraw/zinc/99/99/53/1383999953.db2.gz XIWIVMAOHIRBHS-UHFFFAOYSA-N 0 3 325.408 3.229 10 10 EGCEHN COC(=O)C1(c2ccc(C[N@@H+](C)Cc3ccccc3[O-])cc2)CC1 ZINC001307538369 1383999956 /nfs/dbraw/zinc/99/99/56/1383999956.db2.gz XIWIVMAOHIRBHS-UHFFFAOYSA-N 0 3 325.408 3.229 10 10 EGCEHN COC(=O)C1(c2ccc(C[NH2+][C@H](C)c3ccccc3[O-])cc2)CC1 ZINC001308009792 1384074704 /nfs/dbraw/zinc/07/47/04/1384074704.db2.gz DQWOCWOGIVHATC-CQSZACIVSA-N 0 3 325.408 3.448 10 10 EGCEHN Cc1ccc(CN(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)o1 ZINC001320465845 1386617197 /nfs/dbraw/zinc/61/71/97/1386617197.db2.gz OKSNEZZDRPUBAX-UHFFFAOYSA-N 0 3 331.435 3.111 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)c3ccc(F)cc3)CC2)cc1C ZINC001716673926 1420830703 /nfs/dbraw/zinc/83/07/03/1420830703.db2.gz GAAWNXOKTSEEHD-UHFFFAOYSA-N 0 3 342.414 3.195 10 10 EGCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccccc1 ZINC000076074273 453958530 /nfs/dbraw/zinc/95/85/30/453958530.db2.gz AMZRQVWGEWMGBQ-IBGZPJMESA-N 0 3 329.440 3.182 10 10 EGCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccccc1 ZINC000076074273 453958534 /nfs/dbraw/zinc/95/85/34/453958534.db2.gz AMZRQVWGEWMGBQ-IBGZPJMESA-N 0 3 329.440 3.182 10 10 EGCEHN CCOc1cccc(C[NH+]2CCC(c3cnn(CC)c3)CC2)c1[O-] ZINC000092809226 454636752 /nfs/dbraw/zinc/63/67/52/454636752.db2.gz YDYLTEVWMUZGNK-UHFFFAOYSA-N 0 3 329.444 3.387 10 10 EGCEHN Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(C)c3[O-])C2)n1 ZINC000179729272 455070848 /nfs/dbraw/zinc/07/08/48/455070848.db2.gz GNDDZHLEYGCCCW-QGZVFWFLSA-N 0 3 339.439 3.255 10 10 EGCEHN Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(C)c3[O-])C2)n1 ZINC000179729272 455070850 /nfs/dbraw/zinc/07/08/50/455070850.db2.gz GNDDZHLEYGCCCW-QGZVFWFLSA-N 0 3 339.439 3.255 10 10 EGCEHN Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000179938117 455102560 /nfs/dbraw/zinc/10/25/60/455102560.db2.gz JAHCTLFKHAUKPG-CQSZACIVSA-N 0 3 343.402 3.085 10 10 EGCEHN Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000179938117 455102561 /nfs/dbraw/zinc/10/25/61/455102561.db2.gz JAHCTLFKHAUKPG-CQSZACIVSA-N 0 3 343.402 3.085 10 10 EGCEHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180594687 455204123 /nfs/dbraw/zinc/20/41/23/455204123.db2.gz ZJKQXFWDSLSHMH-GOEBONIOSA-N 0 3 343.450 3.073 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1[O-] ZINC000182636390 455558133 /nfs/dbraw/zinc/55/81/33/455558133.db2.gz QKSYZDRWKJNLBU-GDBMZVCRSA-N 0 3 327.877 3.498 10 10 EGCEHN CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000284178493 455646848 /nfs/dbraw/zinc/64/68/48/455646848.db2.gz XLOVZIISVLYUBX-ICSRJNTNSA-N 0 3 343.467 3.307 10 10 EGCEHN COc1ccc(N2CCCN(Cc3ccc(C)nc3C)CC2)cc1 ZINC000186712036 455825273 /nfs/dbraw/zinc/82/52/73/455825273.db2.gz DLOHIPAYSVYLBW-UHFFFAOYSA-N 0 3 325.456 3.419 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294739902 455826462 /nfs/dbraw/zinc/82/64/62/455826462.db2.gz HCCQVMLUEOFOEU-ZDUSSCGKSA-N 0 3 338.879 3.468 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294739902 455826467 /nfs/dbraw/zinc/82/64/67/455826467.db2.gz HCCQVMLUEOFOEU-ZDUSSCGKSA-N 0 3 338.879 3.468 10 10 EGCEHN CCCCN(Cc1ccc(C(=O)OC)cn1)Cc1ccccc1O ZINC000285344313 455828198 /nfs/dbraw/zinc/82/81/98/455828198.db2.gz PMTWFZLKFPJHII-UHFFFAOYSA-N 0 3 328.412 3.376 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000378440688 457397446 /nfs/dbraw/zinc/39/74/46/457397446.db2.gz DHJMDLLYHISPTA-IRXDYDNUSA-N 0 3 349.862 3.176 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000378440688 457397451 /nfs/dbraw/zinc/39/74/51/457397451.db2.gz DHJMDLLYHISPTA-IRXDYDNUSA-N 0 3 349.862 3.176 10 10 EGCEHN CC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000376020178 458166544 /nfs/dbraw/zinc/16/65/44/458166544.db2.gz DYLHYARPKGOPLF-LEWJYISDSA-N 0 3 344.499 3.447 10 10 EGCEHN COc1ccc(O)c([C@@H](C)NC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000527939329 459777393 /nfs/dbraw/zinc/77/73/93/459777393.db2.gz NVQYJTBKXIUFHA-QMTHXVAHSA-N 0 3 329.322 3.052 10 10 EGCEHN CCOc1cc(CNCc2ccc(OC)cc2O)c(F)cc1OC ZINC000529558295 459830768 /nfs/dbraw/zinc/83/07/68/459830768.db2.gz RVNFGPYPCMDQBP-UHFFFAOYSA-N 0 3 335.375 3.237 10 10 EGCEHN Cc1cc(N(C)C)ccc1CNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000734528761 575509595 /nfs/dbraw/zinc/50/95/95/575509595.db2.gz CROOCMGFWKQESR-IRXDYDNUSA-N 0 3 346.519 3.123 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000895849457 1309559978 /nfs/dbraw/zinc/55/99/78/1309559978.db2.gz WXPJEPUHKNAZPP-DOMZBBRYSA-N 0 3 340.261 3.464 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000895849457 1309559984 /nfs/dbraw/zinc/55/99/84/1309559984.db2.gz WXPJEPUHKNAZPP-DOMZBBRYSA-N 0 3 340.261 3.464 10 10 EGCEHN O=[N+]([O-])c1cc(CN[C@@H]2CO[C@@H](C3CC3)C2)ccc1N1CCCCC1 ZINC000858296454 1328732130 /nfs/dbraw/zinc/73/21/30/1328732130.db2.gz TVSLUPBEFUPNMX-QFBILLFUSA-N 0 3 345.443 3.242 10 10 EGCEHN C[N@H+](Cc1ccccc1[O-])CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000859189664 1328941048 /nfs/dbraw/zinc/94/10/48/1328941048.db2.gz VQEQQXDMXOEQDE-UHFFFAOYSA-N 0 3 349.471 3.087 10 10 EGCEHN C[N@@H+](Cc1ccccc1[O-])CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000859189664 1328941050 /nfs/dbraw/zinc/94/10/50/1328941050.db2.gz VQEQQXDMXOEQDE-UHFFFAOYSA-N 0 3 349.471 3.087 10 10 EGCEHN C[C@@]1(NCc2ccc(N3CCOCC3)cc2)CCOc2ccccc21 ZINC000923026084 1322677829 /nfs/dbraw/zinc/67/78/29/1322677829.db2.gz QVMUSHVZNGPSFW-OAQYLSRUSA-N 0 3 338.451 3.311 10 10 EGCEHN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cc(O)cc(F)c1 ZINC000926722944 1327683809 /nfs/dbraw/zinc/68/38/09/1327683809.db2.gz BCTFSIRIRFZKAW-CQSZACIVSA-N 0 3 344.430 3.343 10 10 EGCEHN [O-]c1cccc2c1[C@H]([NH2+]CC1(n3cc(Br)cn3)CC1)CC2 ZINC000927006472 1327817395 /nfs/dbraw/zinc/81/73/95/1327817395.db2.gz SJZOJDJKCJRWTH-CYBMUJFWSA-N 0 3 348.244 3.117 10 10 EGCEHN O=C(NCc1c([O-])cccc1F)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000928708732 1328405203 /nfs/dbraw/zinc/40/52/03/1328405203.db2.gz RSMDNGZVFFQHAV-KRWDZBQOSA-N 0 3 342.414 3.027 10 10 EGCEHN COc1cccc([C@H](O)C2CC[NH+](Cc3ccccc3[O-])CC2)c1 ZINC000862544762 1329495402 /nfs/dbraw/zinc/49/54/02/1329495402.db2.gz UWXPICJOTBJYDC-HXUWFJFHSA-N 0 3 327.424 3.346 10 10 EGCEHN C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000863546241 1329562219 /nfs/dbraw/zinc/56/22/19/1329562219.db2.gz KFFBWJWCCKLSJR-KKZNHRDASA-N 0 3 331.229 3.085 10 10 EGCEHN C[C@@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cc(Br)cc(F)c1[O-] ZINC000863546241 1329562222 /nfs/dbraw/zinc/56/22/22/1329562222.db2.gz KFFBWJWCCKLSJR-KKZNHRDASA-N 0 3 331.229 3.085 10 10 EGCEHN CC[C@H]1CCCCN1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001136733389 1377418774 /nfs/dbraw/zinc/41/87/74/1377418774.db2.gz WCXOSUZTMZKKJI-ZDUSSCGKSA-N 0 3 348.468 3.307 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)NCC2CC(C)(C)C2)N(C)C)cc1 ZINC001312516174 1384354232 /nfs/dbraw/zinc/35/42/32/1384354232.db2.gz KOUWFRPNSIVZET-SFHVURJKSA-N 0 3 346.519 3.091 10 10 EGCEHN C[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1ccccc1[O-] ZINC001175418954 1385281008 /nfs/dbraw/zinc/28/10/08/1385281008.db2.gz QJQDQLVSANGLMA-GFCCVEGCSA-N 0 3 341.436 3.316 10 10 EGCEHN C[C@@H](NCC(=O)N(C)c1nc2ccccc2s1)c1ccccc1O ZINC001175418954 1385281009 /nfs/dbraw/zinc/28/10/09/1385281009.db2.gz QJQDQLVSANGLMA-GFCCVEGCSA-N 0 3 341.436 3.316 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)NC2CCC=CCC2)N(C)C)cc1 ZINC001479354314 1392223951 /nfs/dbraw/zinc/22/39/51/1392223951.db2.gz BJMLLBBKDXTBFI-LJQANCHMSA-N 0 3 344.503 3.153 10 10 EGCEHN C[C@H]1CCC(C)(C)N1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001687807805 1396498867 /nfs/dbraw/zinc/49/88/67/1396498867.db2.gz VZLPTJNENCZNPQ-MAUKXSAKSA-N 0 3 346.519 3.328 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)c2ccoc2Cl)cc1C ZINC001715808342 1420351814 /nfs/dbraw/zinc/35/18/14/1420351814.db2.gz GZTLCNYBQRNZQS-ARJAWSKDSA-N 0 3 348.830 3.326 10 10 EGCEHN COc1cc(CNCc2ccc(N(C)C)c(F)c2)cc(OC)c1OC ZINC000058208815 454171370 /nfs/dbraw/zinc/17/13/70/454171370.db2.gz JEXDISNTEVLSGE-UHFFFAOYSA-N 0 3 348.418 3.207 10 10 EGCEHN Cc1ccc(O)c(CN2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000093385909 454709506 /nfs/dbraw/zinc/70/95/06/454709506.db2.gz QUBHJHWRCUZIPT-UHFFFAOYSA-N 0 3 330.453 3.110 10 10 EGCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000179639737 455063708 /nfs/dbraw/zinc/06/37/08/455063708.db2.gz GJKXMEKGQOJODQ-OAHLLOKOSA-N 0 3 340.423 3.252 10 10 EGCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000179639737 455063712 /nfs/dbraw/zinc/06/37/12/455063712.db2.gz GJKXMEKGQOJODQ-OAHLLOKOSA-N 0 3 340.423 3.252 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000179931272 455100834 /nfs/dbraw/zinc/10/08/34/455100834.db2.gz AXJSUSSQJTUMMJ-CQSZACIVSA-N 0 3 338.879 3.338 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000179931272 455100839 /nfs/dbraw/zinc/10/08/39/455100839.db2.gz AXJSUSSQJTUMMJ-CQSZACIVSA-N 0 3 338.879 3.338 10 10 EGCEHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccc1[O-] ZINC000183517462 455302543 /nfs/dbraw/zinc/30/25/43/455302543.db2.gz DHPKXFIATQNYQP-BXWFABGCSA-N 0 3 325.456 3.348 10 10 EGCEHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1[O-] ZINC000184686914 455427704 /nfs/dbraw/zinc/42/77/04/455427704.db2.gz TUJYMLVAHAYELV-ZDUSSCGKSA-N 0 3 347.846 3.383 10 10 EGCEHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1[O-] ZINC000184686914 455427708 /nfs/dbraw/zinc/42/77/08/455427708.db2.gz TUJYMLVAHAYELV-ZDUSSCGKSA-N 0 3 347.846 3.383 10 10 EGCEHN CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])c2ccc(F)cc2C1 ZINC000185606214 455584478 /nfs/dbraw/zinc/58/44/78/455584478.db2.gz CVNATWXTIJNLLK-GOSISDBHSA-N 0 3 346.377 3.254 10 10 EGCEHN COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000185712455 455603183 /nfs/dbraw/zinc/60/31/83/455603183.db2.gz KFUJRQDSEUQDSV-HIFRSBDPSA-N 0 3 330.403 3.469 10 10 EGCEHN CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccccc3[O-])C2)ncn1 ZINC000248391747 455712054 /nfs/dbraw/zinc/71/20/54/455712054.db2.gz VIKAUABZFBNOSA-ZBFHGGJFSA-N 0 3 326.444 3.064 10 10 EGCEHN CC[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@H](O)C(F)F ZINC000295062776 455837487 /nfs/dbraw/zinc/83/74/87/455837487.db2.gz OMLPXSSACZPHJX-STQMWFEESA-N 0 3 340.336 3.266 10 10 EGCEHN COC[C@](C)(CCO)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000295829118 455860815 /nfs/dbraw/zinc/86/08/15/455860815.db2.gz VGPAMTHQOSWVKR-IBGZPJMESA-N 0 3 348.512 3.262 10 10 EGCEHN CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296270214 455896022 /nfs/dbraw/zinc/89/60/22/455896022.db2.gz CCKHKJFPYNGRLE-DZGCQCFKSA-N 0 3 332.444 3.226 10 10 EGCEHN CCN(CC)c1ccc(CNC(=O)CC2CCN(C)CC2)cc1F ZINC000273233056 456219955 /nfs/dbraw/zinc/21/99/55/456219955.db2.gz OWDNLBUSLPVMGP-UHFFFAOYSA-N 0 3 335.467 3.020 10 10 EGCEHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)C(F)(F)F)c1[O-] ZINC000275320143 456272762 /nfs/dbraw/zinc/27/27/62/456272762.db2.gz KUVUTAGUKAUCKK-XCBNKYQSSA-N 0 3 342.155 3.037 10 10 EGCEHN CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2ccccc2[O-])CC1 ZINC000291064854 456517036 /nfs/dbraw/zinc/51/70/36/456517036.db2.gz QDDFMSVHDFKCEA-UHFFFAOYSA-N 0 3 332.444 3.368 10 10 EGCEHN CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2ccccc2[O-])CC1 ZINC000291064854 456517041 /nfs/dbraw/zinc/51/70/41/456517041.db2.gz QDDFMSVHDFKCEA-UHFFFAOYSA-N 0 3 332.444 3.368 10 10 EGCEHN COc1cccc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1[O-] ZINC000363953354 457465922 /nfs/dbraw/zinc/46/59/22/457465922.db2.gz QDVXSKPEPHXUKB-FQEVSTJZSA-N 0 3 325.408 3.422 10 10 EGCEHN COc1cccc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1[O-] ZINC000363953354 457465927 /nfs/dbraw/zinc/46/59/27/457465927.db2.gz QDVXSKPEPHXUKB-FQEVSTJZSA-N 0 3 325.408 3.422 10 10 EGCEHN [O-]c1cc2c(cc1C[NH2+][C@@H]1[C@H]3Cc4cc(Cl)ccc4[C@@H]13)OCO2 ZINC000527750307 459723939 /nfs/dbraw/zinc/72/39/39/459723939.db2.gz VGXKOJLABSMJJV-MORSLUCNSA-N 0 3 329.783 3.202 10 10 EGCEHN COc1cc(Br)cc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1[O-] ZINC000527806608 459743325 /nfs/dbraw/zinc/74/33/25/459743325.db2.gz YGENNFZAJLBUQV-JIXVBMEVSA-N 0 3 344.249 3.065 10 10 EGCEHN COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000527965485 459783702 /nfs/dbraw/zinc/78/37/02/459783702.db2.gz MOSPCYOEKLSLHL-IEBWSBKVSA-N 0 3 338.451 3.252 10 10 EGCEHN CC(C)(C)[C@H]1CN(C(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000662545338 461291673 /nfs/dbraw/zinc/29/16/73/461291673.db2.gz OVTSATHNPCJGLE-CJNGLKHVSA-N 0 3 338.455 3.277 10 10 EGCEHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2(C)OCCCO2)c1[O-] ZINC000754125296 575008624 /nfs/dbraw/zinc/00/86/24/575008624.db2.gz YACLJKHCWHUZAR-NSHDSACASA-N 0 3 344.249 3.267 10 10 EGCEHN COc1ccc(O)c([C@@H](C)NC(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1 ZINC000730825498 575025389 /nfs/dbraw/zinc/02/53/89/575025389.db2.gz DYRYMEWGJAKMMN-QLFBSQMISA-N 0 3 349.475 3.024 10 10 EGCEHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000157250133 1294173000 /nfs/dbraw/zinc/17/30/00/1294173000.db2.gz FHQMAVUHPBBZSE-HNNXBMFYSA-N 0 3 339.357 3.446 10 10 EGCEHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000157250133 1294173001 /nfs/dbraw/zinc/17/30/01/1294173001.db2.gz FHQMAVUHPBBZSE-HNNXBMFYSA-N 0 3 339.357 3.446 10 10 EGCEHN COc1ccc(CN2CCC(C(=O)c3ccccc3)CC2)c(O)c1 ZINC000179880308 1294836564 /nfs/dbraw/zinc/83/65/64/1294836564.db2.gz TWXNNHONVSDLCT-UHFFFAOYSA-N 0 3 325.408 3.496 10 10 EGCEHN COc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC000179880308 1294836576 /nfs/dbraw/zinc/83/65/76/1294836576.db2.gz TWXNNHONVSDLCT-UHFFFAOYSA-N 0 3 325.408 3.496 10 10 EGCEHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000273147410 1296710894 /nfs/dbraw/zinc/71/08/94/1296710894.db2.gz GSIRODRGRQMZCI-GGPKGHCWSA-N 0 3 325.408 3.381 10 10 EGCEHN COC(=O)c1c(CN[C@H]2CCC(F)(F)C2)c2cc(F)ccc2n1C ZINC000894349878 1306355182 /nfs/dbraw/zinc/35/51/82/1306355182.db2.gz IVRDXGWKSJKYKZ-NSHDSACASA-N 0 3 340.345 3.381 10 10 EGCEHN COc1cc(C)cc(CN2Cc3cccnc3N3CCC[C@@H]3C2)c1O ZINC000895455362 1309346937 /nfs/dbraw/zinc/34/69/37/1309346937.db2.gz WRJKZEAYIZASOT-QGZVFWFLSA-N 0 3 339.439 3.089 10 10 EGCEHN COc1cc(Br)cc(CN[C@@H](C)c2ccns2)c1O ZINC000858317390 1328735817 /nfs/dbraw/zinc/73/58/17/1328735817.db2.gz NBFMVRDXKCRMCY-QMMMGPOBSA-N 0 3 343.246 3.471 10 10 EGCEHN COc1cccc([C@@H](C)NC[C@H](n2cccn2)C(F)(F)F)c1O ZINC000858448832 1328765309 /nfs/dbraw/zinc/76/53/09/1328765309.db2.gz GVGSDOBUAUFNNM-MFKMUULPSA-N 0 3 329.322 3.052 10 10 EGCEHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(F)nc1 ZINC000930210572 1328812852 /nfs/dbraw/zinc/81/28/52/1328812852.db2.gz OHKFPNFDDXTVPZ-LSDHHAIUSA-N 0 3 329.419 3.469 10 10 EGCEHN CN(C)c1cc(F)c(CNC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1F ZINC000922454087 1322531278 /nfs/dbraw/zinc/53/12/78/1322531278.db2.gz BCGPHEFTMVWVFN-HZMBPMFUSA-N 0 3 338.320 3.230 10 10 EGCEHN CN(C)c1cc(F)c(CNC[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1F ZINC000922534246 1322551152 /nfs/dbraw/zinc/55/11/52/1322551152.db2.gz JBMAOKSSIHRVKZ-UKIBZPOASA-N 0 3 346.421 3.213 10 10 EGCEHN Cc1c(CNCc2ccc(N3CCC(CO)CC3)cc2)ccnc1F ZINC000862275161 1329473321 /nfs/dbraw/zinc/47/33/21/1329473321.db2.gz MGTIWZKKYDWKJH-UHFFFAOYSA-N 0 3 343.446 3.028 10 10 EGCEHN Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H](O)C(F)F)c1[O-] ZINC000866442179 1330112915 /nfs/dbraw/zinc/11/29/15/1330112915.db2.gz GJNFXHIEAKVYKO-GZMMTYOYSA-N 0 3 338.192 3.130 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)C(C3CC3)C3CC3)CC2)cc1C ZINC001323592411 1387398599 /nfs/dbraw/zinc/39/85/99/1387398599.db2.gz RMDLDGYIAAAPQA-UHFFFAOYSA-N 0 3 342.483 3.178 10 10 EGCEHN Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cccc1[N+](=O)[O-] ZINC001197003453 1368730112 /nfs/dbraw/zinc/73/01/12/1368730112.db2.gz HMOPVLOPWKGDPH-QWHCGFSZSA-N 0 3 343.383 3.287 10 10 EGCEHN [O-]c1cc2c(cc1C[N@@H+](Cc1ccccc1F)CC1CC1)[C@H](O)CO2 ZINC001118531469 1371194122 /nfs/dbraw/zinc/19/41/22/1371194122.db2.gz GWDBWBLDZRANBR-LJQANCHMSA-N 0 3 343.398 3.369 10 10 EGCEHN [O-]c1cc2c(cc1C[N@H+](Cc1ccccc1F)CC1CC1)[C@H](O)CO2 ZINC001118531469 1371194127 /nfs/dbraw/zinc/19/41/27/1371194127.db2.gz GWDBWBLDZRANBR-LJQANCHMSA-N 0 3 343.398 3.369 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)C23CCC(CC2)CC3)N(C)C)cc1 ZINC001134686592 1376658054 /nfs/dbraw/zinc/65/80/54/1376658054.db2.gz PHTAKNWLIZWEJP-BSLVTKGXSA-N 0 3 343.515 3.442 10 10 EGCEHN C[C@@H]1CC[C@@H](CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001134686380 1376658110 /nfs/dbraw/zinc/65/81/10/1376658110.db2.gz IPUPEXTVKIUVNA-MDZRGWNJSA-N 0 3 331.504 3.298 10 10 EGCEHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001137562808 1377565940 /nfs/dbraw/zinc/56/59/40/1377565940.db2.gz LWOQIZMABDKCBX-UHFFFAOYSA-N 0 3 339.399 3.471 10 10 EGCEHN CC[C@@H](CNC(=O)c1ccccc1[O-])[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698592708 1406216141 /nfs/dbraw/zinc/21/61/41/1406216141.db2.gz VTPRYBKVLUZMFI-INIZCTEOSA-N 0 3 342.439 3.007 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CC[C@@H](C)C2)cc1C ZINC001715876251 1420379474 /nfs/dbraw/zinc/37/94/74/1420379474.db2.gz IGYVGYGCVVVJRO-PGFQARHSSA-N 0 3 330.472 3.202 10 10 EGCEHN CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c([O-])c1 ZINC000245754074 455374304 /nfs/dbraw/zinc/37/43/04/455374304.db2.gz HJLXZKVRWGRMDC-YJBOKZPZSA-N 0 3 329.444 3.461 10 10 EGCEHN CCCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c([O-])c1 ZINC000245754074 455374310 /nfs/dbraw/zinc/37/43/10/455374310.db2.gz HJLXZKVRWGRMDC-YJBOKZPZSA-N 0 3 329.444 3.461 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000184884884 455466879 /nfs/dbraw/zinc/46/68/79/455466879.db2.gz YETLOGCYWVAXQZ-ZIAGYGMSSA-N 0 3 338.411 3.393 10 10 EGCEHN CCN(CC)c1ccc(CN[C@H](C)c2cc(OC)ccc2O)cn1 ZINC000185085258 455499169 /nfs/dbraw/zinc/49/91/69/455499169.db2.gz JKIPUBDCXAQALZ-CQSZACIVSA-N 0 3 329.444 3.493 10 10 EGCEHN COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000185712435 455603469 /nfs/dbraw/zinc/60/34/69/455603469.db2.gz KFUJRQDSEUQDSV-ZFWWWQNUSA-N 0 3 330.403 3.469 10 10 EGCEHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C12CCOCC2 ZINC000186455076 455772073 /nfs/dbraw/zinc/77/20/73/455772073.db2.gz IOOKXRYLKNWDIA-JKSUJKDBSA-N 0 3 339.863 3.418 10 10 EGCEHN CCOc1cccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1[O-] ZINC000269306382 455832646 /nfs/dbraw/zinc/83/26/46/455832646.db2.gz DUGOTOOFVCDEBK-OAHLLOKOSA-N 0 3 337.485 3.325 10 10 EGCEHN Cc1ccncc1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000279947103 455878429 /nfs/dbraw/zinc/87/84/29/455878429.db2.gz OEESBVMYHWVIGH-HOTGVXAUSA-N 0 3 343.446 3.433 10 10 EGCEHN CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(C)cc1[O-] ZINC000279966089 455879559 /nfs/dbraw/zinc/87/95/59/455879559.db2.gz CPNJTBCKZISDKL-MOPGFXCFSA-N 0 3 340.467 3.441 10 10 EGCEHN CNC(=O)C1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000263648911 456181480 /nfs/dbraw/zinc/18/14/80/456181480.db2.gz CMXLZUBOTSBUSM-UHFFFAOYSA-N 0 3 338.451 3.454 10 10 EGCEHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c([O-])c1 ZINC000189035532 456207090 /nfs/dbraw/zinc/20/70/90/456207090.db2.gz SNPRZNJUFILJCX-KDOFPFPSSA-N 0 3 342.414 3.291 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c([O-])c1C ZINC000273433899 456230784 /nfs/dbraw/zinc/23/07/84/456230784.db2.gz WKCAJHTYVNHWJN-JKSUJKDBSA-N 0 3 326.444 3.119 10 10 EGCEHN Cc1ccc([C@H](C)NCc2cccc(N3CCOCC3)n2)c(O)c1C ZINC000274777248 456264448 /nfs/dbraw/zinc/26/44/48/456264448.db2.gz OHAHMPXNDMKGAY-INIZCTEOSA-N 0 3 341.455 3.091 10 10 EGCEHN Cc1cc(Cl)cc(CN[C@]2(CO)CCOc3ccccc32)c1O ZINC000282414676 456505250 /nfs/dbraw/zinc/50/52/50/456505250.db2.gz SHDBEFSXSLGUFG-SFHVURJKSA-N 0 3 333.815 3.114 10 10 EGCEHN COc1cc([O-])c(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1OC ZINC000362040593 458020102 /nfs/dbraw/zinc/02/01/02/458020102.db2.gz PZVPZDYRUPZGSQ-MGPUTAFESA-N 0 3 343.423 3.277 10 10 EGCEHN COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cc(C)c(C)cc2[O-])cc1 ZINC000527775986 459732991 /nfs/dbraw/zinc/73/29/91/459732991.db2.gz WWEOVJDWPICTAK-IBGZPJMESA-N 0 3 340.467 3.382 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1[O-] ZINC000529637055 459831659 /nfs/dbraw/zinc/83/16/59/459831659.db2.gz MYMPITFQJGAKGQ-GFCCVEGCSA-N 0 3 333.741 3.444 10 10 EGCEHN Cc1ncc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000742384397 576777241 /nfs/dbraw/zinc/77/72/41/576777241.db2.gz AWFYNRRHOJMPLB-HNNXBMFYSA-N 0 3 348.397 3.145 10 10 EGCEHN CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879651468 1300650811 /nfs/dbraw/zinc/65/08/11/1300650811.db2.gz XBNIOMUVHAFYAK-QWHCGFSZSA-N 0 3 326.396 3.273 10 10 EGCEHN CC(C)(C)N1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895971794 1309619556 /nfs/dbraw/zinc/61/95/56/1309619556.db2.gz OVYONJVORJAPEB-UHFFFAOYSA-N 0 3 348.468 3.259 10 10 EGCEHN O=C1[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCN1C1CCC1 ZINC000858343175 1328741124 /nfs/dbraw/zinc/74/11/24/1328741124.db2.gz UMVZPLSBNOFEOL-IBGZPJMESA-N 0 3 336.435 3.302 10 10 EGCEHN CCN(C)c1ccc([C@@H](C)NCc2ccc3oc(=O)n(C)c3c2)cc1 ZINC000858538387 1328791391 /nfs/dbraw/zinc/79/13/91/1328791391.db2.gz LYIOVKJDSOMJKM-CQSZACIVSA-N 0 3 339.439 3.438 10 10 EGCEHN Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])n1 ZINC000858590090 1328803251 /nfs/dbraw/zinc/80/32/51/1328803251.db2.gz JGVQKXDBCKPCFZ-RJIBLYRGSA-N 0 3 337.807 3.226 10 10 EGCEHN Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)ccc1N1CCCCC1 ZINC000859886806 1329106622 /nfs/dbraw/zinc/10/66/22/1329106622.db2.gz RZAYYUPXHQSDKK-IMWIBFENSA-N 0 3 346.540 3.471 10 10 EGCEHN CCC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000927025894 1327824461 /nfs/dbraw/zinc/82/44/61/1327824461.db2.gz YXEFSJSYCXXHRR-CMPLNLGQSA-N 0 3 346.265 3.365 10 10 EGCEHN Cc1c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)ccnc1F ZINC000862275145 1329473448 /nfs/dbraw/zinc/47/34/48/1329473448.db2.gz LYGUPJNKOQEXAD-HNNXBMFYSA-N 0 3 329.419 3.217 10 10 EGCEHN Cc1cc([O-])c(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000863645729 1329570104 /nfs/dbraw/zinc/57/01/04/1329570104.db2.gz LZHOTLFEPNNHNN-PWSUYJOCSA-N 0 3 336.785 3.313 10 10 EGCEHN CC(C)Cn1ccnc1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117109959 1371012348 /nfs/dbraw/zinc/01/23/48/1371012348.db2.gz PAKPPXHNRSRDNX-UHFFFAOYSA-N 0 3 345.466 3.042 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)/C=C\c2ccsc2)N(C)C)cc1 ZINC001134883000 1376765569 /nfs/dbraw/zinc/76/55/69/1376765569.db2.gz WPGRYEGMPKBRSG-CXKPLTABSA-N 0 3 343.496 3.246 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2C[C@@H]2C(C)C)cc1C ZINC001274470280 1378126191 /nfs/dbraw/zinc/12/61/91/1378126191.db2.gz ACTILYYLCNGIOG-OSFIAYCASA-N 0 3 330.472 3.058 10 10 EGCEHN CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC001293349672 1382276022 /nfs/dbraw/zinc/27/60/22/1382276022.db2.gz IJXQOTDSIIWGIS-AWEZNQCLSA-N 0 3 334.460 3.037 10 10 EGCEHN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC001293349672 1382276025 /nfs/dbraw/zinc/27/60/25/1382276025.db2.gz IJXQOTDSIIWGIS-AWEZNQCLSA-N 0 3 334.460 3.037 10 10 EGCEHN CN(C)C1(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1 ZINC001307145502 1383944988 /nfs/dbraw/zinc/94/49/88/1383944988.db2.gz MVQMVPYLGNSUDJ-UHFFFAOYSA-N 0 3 339.395 3.332 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)NC2(C)CCCCC2)N(C)C)cc1 ZINC001313411835 1384416850 /nfs/dbraw/zinc/41/68/50/1384416850.db2.gz JLYIFNUNYUXKLN-GOSISDBHSA-N 0 3 346.519 3.377 10 10 EGCEHN COc1ccc(N2CCN(CC[C@@H]3C[C@H]3C3CC3)CC2)c(OC)c1 ZINC001175522484 1385320266 /nfs/dbraw/zinc/32/02/66/1385320266.db2.gz HRZAGLNXLZPTBE-AEFFLSMTSA-N 0 3 330.472 3.262 10 10 EGCEHN CC[C@H](CNC(=O)c1ccccc1[O-])[NH2+]Cc1ccc(OC)c(C)c1 ZINC001698592709 1406216352 /nfs/dbraw/zinc/21/63/52/1406216352.db2.gz VTPRYBKVLUZMFI-MRXNPFEDSA-N 0 3 342.439 3.007 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)c3ccccc3C)CC2)cc1C ZINC001699642506 1413023306 /nfs/dbraw/zinc/02/33/06/1413023306.db2.gz STFRYRYREHLNBL-UHFFFAOYSA-N 0 3 338.451 3.364 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)/C=C(/C)C3CC3)CC2)cc1C ZINC001733236766 1429375766 /nfs/dbraw/zinc/37/57/66/1429375766.db2.gz FSSOVFHFLDQXPE-KAMYIIQDSA-N 0 3 328.456 3.098 10 10 EGCEHN Cc1nc(CN[C@H](C)c2ccc(N3CCN(C)CC3)cc2)cs1 ZINC000071825378 203120595 /nfs/dbraw/zinc/12/05/95/203120595.db2.gz MPRAQSUUAASIKQ-CQSZACIVSA-N 0 3 330.501 3.054 10 10 EGCEHN Cc1ccc(CN[C@@H](C)c2ccc(N3CCN(C)CC3)c(F)c2)o1 ZINC000071825363 203121311 /nfs/dbraw/zinc/12/13/11/203121311.db2.gz UJHZCIPBAINJKB-HNNXBMFYSA-N 0 3 331.435 3.330 10 10 EGCEHN COc1cccc(CNC2(c3ccc(F)cc3F)CCOCC2)c1O ZINC000124781092 454769145 /nfs/dbraw/zinc/76/91/45/454769145.db2.gz AQCCTLKIPVYXFB-UHFFFAOYSA-N 0 3 349.377 3.475 10 10 EGCEHN CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c([O-])ccc4ccccc43)[C@@H]2C1 ZINC000165266006 454897076 /nfs/dbraw/zinc/89/70/76/454897076.db2.gz IXAXDSVPEJAQSJ-ZTNFWEORSA-N 0 3 327.424 3.314 10 10 EGCEHN CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3c([O-])ccc4ccccc43)[C@@H]2C1 ZINC000165266006 454897078 /nfs/dbraw/zinc/89/70/78/454897078.db2.gz IXAXDSVPEJAQSJ-ZTNFWEORSA-N 0 3 327.424 3.314 10 10 EGCEHN Cc1cc(Cl)cc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c1[O-] ZINC000180280735 455154537 /nfs/dbraw/zinc/15/45/37/455154537.db2.gz LBQQUQYJUODALP-QGZVFWFLSA-N 0 3 349.862 3.033 10 10 EGCEHN COc1ccc(N2CCN(CCCCCn3cc(C)cn3)CC2)cc1 ZINC000264076123 455189386 /nfs/dbraw/zinc/18/93/86/455189386.db2.gz COFANBHSBPUZNB-UHFFFAOYSA-N 0 3 342.487 3.193 10 10 EGCEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)Cc1ccccc1O ZINC000181061769 455282516 /nfs/dbraw/zinc/28/25/16/455282516.db2.gz GPJISMZJUUAWRK-INIZCTEOSA-N 0 3 341.455 3.054 10 10 EGCEHN CC(=O)c1cc(F)cc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)c1O ZINC000245609821 455339425 /nfs/dbraw/zinc/33/94/25/455339425.db2.gz NYGVZZAQFFFWRG-SJKOYZFVSA-N 0 3 331.391 3.014 10 10 EGCEHN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000245609821 455339430 /nfs/dbraw/zinc/33/94/30/455339430.db2.gz NYGVZZAQFFFWRG-SJKOYZFVSA-N 0 3 331.391 3.014 10 10 EGCEHN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000245609821 455339435 /nfs/dbraw/zinc/33/94/35/455339435.db2.gz NYGVZZAQFFFWRG-SJKOYZFVSA-N 0 3 331.391 3.014 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1[O-] ZINC000182636429 455557974 /nfs/dbraw/zinc/55/79/74/455557974.db2.gz QKSYZDRWKJNLBU-ZBFHGGJFSA-N 0 3 327.877 3.498 10 10 EGCEHN COc1ccc(O)c([C@@H](C)NCc2cn(C)nc2C(F)(F)F)c1 ZINC000186151715 455704077 /nfs/dbraw/zinc/70/40/77/455704077.db2.gz XIUHAPBDXXNFDY-SECBINFHSA-N 0 3 329.322 3.004 10 10 EGCEHN Cc1ccc([O-])c(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)c1 ZINC000271061331 456115945 /nfs/dbraw/zinc/11/59/45/456115945.db2.gz GQTFVNIUUANPFE-UHFFFAOYSA-N 0 3 334.460 3.437 10 10 EGCEHN COc1cc([O-])c(C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)cc1OC ZINC000371469764 457947700 /nfs/dbraw/zinc/94/77/00/457947700.db2.gz GNWCYUUZTPOQBL-SCLBCKFNSA-N 0 3 343.423 3.233 10 10 EGCEHN COc1cc([O-])c(C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)cc1OC ZINC000371469764 457947703 /nfs/dbraw/zinc/94/77/03/457947703.db2.gz GNWCYUUZTPOQBL-SCLBCKFNSA-N 0 3 343.423 3.233 10 10 EGCEHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)c2c1c(F)ccc2[O-] ZINC000528008126 459794877 /nfs/dbraw/zinc/79/48/77/459794877.db2.gz WPTMLIFLUBHERX-LYRGGWFBSA-N 0 3 340.398 3.496 10 10 EGCEHN C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)c2c1c(F)ccc2[O-] ZINC000528015723 459796491 /nfs/dbraw/zinc/79/64/91/459796491.db2.gz MNBUDVUDUJBOEJ-GXTWGEPZSA-N 0 3 334.435 3.318 10 10 EGCEHN COc1ccc(N2CC[C@@H](N[C@H](C)c3cccc(O)c3F)C2)cc1 ZINC000872085861 1296725414 /nfs/dbraw/zinc/72/54/14/1296725414.db2.gz RIOQUXFICRILFH-ZIAGYGMSSA-N 0 3 330.403 3.469 10 10 EGCEHN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@@](C)(O)c1ccccc1 ZINC000858183560 1328705620 /nfs/dbraw/zinc/70/56/20/1328705620.db2.gz ATEKMHBHUQGHBA-BFUOFWGJSA-N 0 3 334.410 3.417 10 10 EGCEHN CC(=O)NCCCCC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000929973187 1328753821 /nfs/dbraw/zinc/75/38/21/1328753821.db2.gz XVLWBZHVTILCNS-UHFFFAOYSA-N 0 3 330.428 3.294 10 10 EGCEHN CC(=O)NCCCCC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000929973187 1328753824 /nfs/dbraw/zinc/75/38/24/1328753824.db2.gz XVLWBZHVTILCNS-UHFFFAOYSA-N 0 3 330.428 3.294 10 10 EGCEHN CC[C@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1[O-] ZINC000925794888 1325304631 /nfs/dbraw/zinc/30/46/31/1325304631.db2.gz VWZFGDOENOYOFJ-CJNGLKHVSA-N 0 3 338.879 3.245 10 10 EGCEHN COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cc([O-])cc(F)c3)C2)cc1 ZINC000926680448 1327663498 /nfs/dbraw/zinc/66/34/98/1327663498.db2.gz OLDAEPAZDVDFOO-CJNGLKHVSA-N 0 3 330.403 3.469 10 10 EGCEHN COC(=O)[C@@H]1CN(Cc2cc3c(cc2O)CCC3)Cc2ccccc21 ZINC000863333449 1329547525 /nfs/dbraw/zinc/54/75/25/1329547525.db2.gz PIIAYEOYKVMEIK-LJQANCHMSA-N 0 3 337.419 3.153 10 10 EGCEHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CO2)CCOCC3)c2c1c(F)ccc2[O-] ZINC000866530758 1330122290 /nfs/dbraw/zinc/12/22/90/1330122290.db2.gz CIMXCQTVYUYICX-VNHYZAJKSA-N 0 3 335.419 3.255 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@H]3C3CCC3)CC2)cc1C ZINC001323569242 1387391684 /nfs/dbraw/zinc/39/16/84/1387391684.db2.gz YSLNSRGDPHRJKI-ZWKOTPCHSA-N 0 3 342.483 3.178 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)C[C@H](C)C3CC3)CC2)cc1C ZINC001323617047 1387408574 /nfs/dbraw/zinc/40/85/74/1387408574.db2.gz RMFSVMRMLLOOFZ-AWEZNQCLSA-N 0 3 330.472 3.178 10 10 EGCEHN C[C@@H]1[C@H](C)CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@H]1C ZINC001313410840 1384416543 /nfs/dbraw/zinc/41/65/43/1384416543.db2.gz FWWSXWQITBRYRQ-OAFZBRQQSA-N 0 3 346.519 3.041 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@H]3C[C@]3(C)C(C)C)CC2)cc1C ZINC001733257315 1429408708 /nfs/dbraw/zinc/40/87/08/1429408708.db2.gz KJBMDNYJVTUZEE-YLJYHZDGSA-N 0 3 344.499 3.424 10 10 EGCEHN CC[C@H](C)[C@H](C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001716697364 1420849956 /nfs/dbraw/zinc/84/99/56/1420849956.db2.gz PUGQDHJNYYJMFR-HOCLYGCPSA-N 0 3 332.488 3.424 10 10 EGCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000091958907 454496133 /nfs/dbraw/zinc/49/61/33/454496133.db2.gz BITJDOCURUIKOG-YJBOKZPZSA-N 0 3 331.412 3.472 10 10 EGCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000091958907 454496135 /nfs/dbraw/zinc/49/61/35/454496135.db2.gz BITJDOCURUIKOG-YJBOKZPZSA-N 0 3 331.412 3.472 10 10 EGCEHN CCCOc1ccc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)c([O-])c1 ZINC000093864199 454741861 /nfs/dbraw/zinc/74/18/61/454741861.db2.gz ZVAANSUSFGDILU-QGZVFWFLSA-N 0 3 329.444 3.424 10 10 EGCEHN CCCOc1ccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c([O-])c1 ZINC000093864199 454741865 /nfs/dbraw/zinc/74/18/65/454741865.db2.gz ZVAANSUSFGDILU-QGZVFWFLSA-N 0 3 329.444 3.424 10 10 EGCEHN CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])n1 ZINC000191555127 455495665 /nfs/dbraw/zinc/49/56/65/455495665.db2.gz LQEFJCVDOIKUOD-SNVBAGLBSA-N 0 3 338.404 3.058 10 10 EGCEHN Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000190468607 455325774 /nfs/dbraw/zinc/32/57/74/455325774.db2.gz OPIGFKMHBICOBM-OAHLLOKOSA-N 0 3 331.485 3.111 10 10 EGCEHN Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000190468607 455325779 /nfs/dbraw/zinc/32/57/79/455325779.db2.gz OPIGFKMHBICOBM-OAHLLOKOSA-N 0 3 331.485 3.111 10 10 EGCEHN c1cc(N2CCCCC2)ccc1CN1CCS[C@H]2COCC[C@H]21 ZINC000245728168 455366606 /nfs/dbraw/zinc/36/66/06/455366606.db2.gz DYKCNBKTUZJOLJ-MOPGFXCFSA-N 0 3 332.513 3.383 10 10 EGCEHN CCOC(=O)c1csc(C2CC[NH+](Cc3ccccc3[O-])CC2)n1 ZINC000192036600 455546935 /nfs/dbraw/zinc/54/69/35/455546935.db2.gz OSQKGRIWTJYCQK-UHFFFAOYSA-N 0 3 346.452 3.405 10 10 EGCEHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cc(F)ccc1[O-] ZINC000185763990 455617992 /nfs/dbraw/zinc/61/79/92/455617992.db2.gz DTSRSKNVHVOHKT-CZUORRHYSA-N 0 3 334.435 3.363 10 10 EGCEHN CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc3c(cc1[O-])CCCC3)CC2 ZINC000185995706 455671009 /nfs/dbraw/zinc/67/10/09/455671009.db2.gz HUDPRURTVVIYRD-CJNGLKHVSA-N 0 3 340.471 3.091 10 10 EGCEHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2[O-])[C@H]1Oc1ccccc1 ZINC000248589385 455721067 /nfs/dbraw/zinc/72/10/67/455721067.db2.gz YXAAUUOPCRTQFR-DFQSSKMNSA-N 0 3 343.423 3.115 10 10 EGCEHN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C12CCOCC2 ZINC000186455127 455772466 /nfs/dbraw/zinc/77/24/66/455772466.db2.gz IOOKXRYLKNWDIA-CVEARBPZSA-N 0 3 339.863 3.418 10 10 EGCEHN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(C)ccc3[O-])C2)n(C)n1 ZINC000278467393 455836775 /nfs/dbraw/zinc/83/67/75/455836775.db2.gz NHRULWKCQSEWBC-HZPDHXFCSA-N 0 3 328.460 3.062 10 10 EGCEHN Cc1ccncc1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000279947105 455877873 /nfs/dbraw/zinc/87/78/73/455877873.db2.gz OEESBVMYHWVIGH-HZPDHXFCSA-N 0 3 343.446 3.433 10 10 EGCEHN C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc(F)ccc1[O-] ZINC000189044627 456209703 /nfs/dbraw/zinc/20/97/03/456209703.db2.gz OVDPUHCWAKIUGI-SJCJKPOMSA-N 0 3 346.377 3.122 10 10 EGCEHN Cn1cc(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])cn1 ZINC000290218375 456268780 /nfs/dbraw/zinc/26/87/80/456268780.db2.gz RLAQDJZJRBGMIS-UHFFFAOYSA-N 0 3 337.423 3.037 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1[O-] ZINC000283115604 456714453 /nfs/dbraw/zinc/71/44/53/456714453.db2.gz UVCKIVGBQXCXIM-DYVFJYSZSA-N 0 3 339.863 3.011 10 10 EGCEHN CCOc1ccc(C[NH2+]CC[C@H]2CCC3(CCOCC3)CO2)c([O-])c1 ZINC000886300646 1303427247 /nfs/dbraw/zinc/42/72/47/1303427247.db2.gz MVFDUOKQDJQTPJ-QGZVFWFLSA-N 0 3 349.471 3.246 10 10 EGCEHN COc1cc(Cl)cc(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)c1O ZINC000895512237 1309380131 /nfs/dbraw/zinc/38/01/31/1309380131.db2.gz JUYQAFGVIMLCPU-RHNCMZPLSA-N 0 3 333.815 3.194 10 10 EGCEHN COc1cc(Cl)cc(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)c1[O-] ZINC000895512237 1309380141 /nfs/dbraw/zinc/38/01/41/1309380141.db2.gz JUYQAFGVIMLCPU-RHNCMZPLSA-N 0 3 333.815 3.194 10 10 EGCEHN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](N2CCCCC2)C1 ZINC000896260457 1309774282 /nfs/dbraw/zinc/77/42/82/1309774282.db2.gz RAQNLFQIXWVYRT-ZDUSSCGKSA-N 0 3 346.452 3.013 10 10 EGCEHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc2cc(O)c(O)cc2s1 ZINC000898440509 1310736859 /nfs/dbraw/zinc/73/68/59/1310736859.db2.gz VOLJCEYOQJYGSF-QWHCGFSZSA-N 0 3 346.452 3.059 10 10 EGCEHN c1ccc2nc(CNCc3ccc(N4CCOCC4)cc3)ccc2c1 ZINC000921065691 1322251746 /nfs/dbraw/zinc/25/17/46/1322251746.db2.gz FTWCQBOBZHYUHU-UHFFFAOYSA-N 0 3 333.435 3.361 10 10 EGCEHN C[C@H]1COC2(CCCC2)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000931056071 1329038134 /nfs/dbraw/zinc/03/81/34/1329038134.db2.gz ITIYSUHJHDCKEJ-KRWDZBQOSA-N 0 3 330.472 3.057 10 10 EGCEHN Cc1c(CNCc2ccc(N3CCSCC3)cc2)ccnc1F ZINC000862273536 1329472883 /nfs/dbraw/zinc/47/28/83/1329472883.db2.gz JKXHOPMUUZUQIJ-UHFFFAOYSA-N 0 3 331.460 3.372 10 10 EGCEHN C[C@@H](N[C@@H]1CCCn2nccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000866631985 1330135715 /nfs/dbraw/zinc/13/57/15/1330135715.db2.gz HHKPNMVFXJPPLK-RHSMWYFYSA-N 0 3 344.434 3.045 10 10 EGCEHN CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000866633232 1330136000 /nfs/dbraw/zinc/13/60/00/1330136000.db2.gz GVXBSXCPVBQTOS-JBLDHEPKSA-N 0 3 346.265 3.363 10 10 EGCEHN Fc1ccc2c(c1)CC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000071837144 203124255 /nfs/dbraw/zinc/12/42/55/203124255.db2.gz VTLUATZGPHKRSD-HXUWFJFHSA-N 0 3 326.415 3.439 10 10 EGCEHN Oc1cc2c(cc1CN1CCC(Nc3ccc(F)cc3)CC1)OCO2 ZINC000092188119 454533796 /nfs/dbraw/zinc/53/37/96/454533796.db2.gz MQDZVBYMRNOHSD-UHFFFAOYSA-N 0 3 344.386 3.337 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](Cc2ccccc2)CN(C)C)c1 ZINC000185091614 455499629 /nfs/dbraw/zinc/49/96/29/455499629.db2.gz KULYXGMYJHOHQE-WBVHZDCISA-N 0 3 328.456 3.224 10 10 EGCEHN C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185115638 455504085 /nfs/dbraw/zinc/50/40/85/455504085.db2.gz RPCPOJJVMMZYSG-NEPJUHHUSA-N 0 3 347.286 3.196 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000180071111 455127277 /nfs/dbraw/zinc/12/72/77/455127277.db2.gz ASFFPQDDXMZXNO-ZDUSSCGKSA-N 0 3 346.862 3.271 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000180071111 455127278 /nfs/dbraw/zinc/12/72/78/455127278.db2.gz ASFFPQDDXMZXNO-ZDUSSCGKSA-N 0 3 346.862 3.271 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000180423189 455166946 /nfs/dbraw/zinc/16/69/46/455166946.db2.gz BMOCPKVQVTXNQC-DOMZBBRYSA-N 0 3 341.293 3.378 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000180423189 455166949 /nfs/dbraw/zinc/16/69/49/455166949.db2.gz BMOCPKVQVTXNQC-DOMZBBRYSA-N 0 3 341.293 3.378 10 10 EGCEHN Cc1nc(CN2CCC[N@H+](Cc3cc(C)ccc3[O-])CC2)cs1 ZINC000157256086 455177609 /nfs/dbraw/zinc/17/76/09/455177609.db2.gz INVZPWGXPCLRKC-UHFFFAOYSA-N 0 3 331.485 3.173 10 10 EGCEHN Cc1nc(CN2CCC[N@@H+](Cc3cc(C)ccc3[O-])CC2)cs1 ZINC000157256086 455177610 /nfs/dbraw/zinc/17/76/10/455177610.db2.gz INVZPWGXPCLRKC-UHFFFAOYSA-N 0 3 331.485 3.173 10 10 EGCEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]12 ZINC000184241470 455365605 /nfs/dbraw/zinc/36/56/05/455365605.db2.gz AJZRTICHVCQBQP-VNQPRFMTSA-N 0 3 332.444 3.127 10 10 EGCEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]12 ZINC000184241470 455365609 /nfs/dbraw/zinc/36/56/09/455365609.db2.gz AJZRTICHVCQBQP-VNQPRFMTSA-N 0 3 332.444 3.127 10 10 EGCEHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000185171083 455515803 /nfs/dbraw/zinc/51/58/03/455515803.db2.gz OVIVKIXVYSPTKA-RYUDHWBXSA-N 0 3 337.416 3.347 10 10 EGCEHN C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000277621891 455617494 /nfs/dbraw/zinc/61/74/94/455617494.db2.gz XEYICNNPJMSUMY-KXBFYZLASA-N 0 3 327.424 3.486 10 10 EGCEHN CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2)ncn1 ZINC000248516755 455718052 /nfs/dbraw/zinc/71/80/52/455718052.db2.gz OYWVAWXEQKZIFF-WBVHZDCISA-N 0 3 340.471 3.373 10 10 EGCEHN COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000248868324 455736045 /nfs/dbraw/zinc/73/60/45/455736045.db2.gz IVDKAEBTTNANEG-SUMWQHHRSA-N 0 3 325.836 3.181 10 10 EGCEHN COc1cc(Cl)cc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000248868324 455736051 /nfs/dbraw/zinc/73/60/51/455736051.db2.gz IVDKAEBTTNANEG-SUMWQHHRSA-N 0 3 325.836 3.181 10 10 EGCEHN Cc1cc(C)c([C@H](C)NCc2cccc(N3CCOCC3)n2)c(O)c1 ZINC000285213738 455805645 /nfs/dbraw/zinc/80/56/45/455805645.db2.gz OOYOYHFJQCDXJT-INIZCTEOSA-N 0 3 341.455 3.091 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c([O-])c1 ZINC000189035512 456206217 /nfs/dbraw/zinc/20/62/17/456206217.db2.gz SNPRZNJUFILJCX-KBXCAEBGSA-N 0 3 342.414 3.291 10 10 EGCEHN Cc1ccc([C@@H](C)NCc2cccc(N3CCOCC3)n2)c(O)c1C ZINC000274777250 456265187 /nfs/dbraw/zinc/26/51/87/456265187.db2.gz OHAHMPXNDMKGAY-MRXNPFEDSA-N 0 3 341.455 3.091 10 10 EGCEHN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)cc(C)c1[O-])CC2 ZINC000305756584 456555210 /nfs/dbraw/zinc/55/52/10/456555210.db2.gz AKHWFYVEQHAQNA-CVEARBPZSA-N 0 3 339.863 3.106 10 10 EGCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000282813017 456633033 /nfs/dbraw/zinc/63/30/33/456633033.db2.gz SSHPTHXEQWSGIP-OAHLLOKOSA-N 0 3 341.455 3.313 10 10 EGCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000282813017 456633038 /nfs/dbraw/zinc/63/30/38/456633038.db2.gz SSHPTHXEQWSGIP-OAHLLOKOSA-N 0 3 341.455 3.313 10 10 EGCEHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c([O-])c1 ZINC000283729225 456830999 /nfs/dbraw/zinc/83/09/99/456830999.db2.gz BYXZLIHFWLMWQY-BXWFABGCSA-N 0 3 333.472 3.227 10 10 EGCEHN Cc1ccc([O-])c(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1 ZINC000367601832 457966330 /nfs/dbraw/zinc/96/63/30/457966330.db2.gz PUYNDGWSODCLKH-UHFFFAOYSA-N 0 3 347.846 3.077 10 10 EGCEHN CCCN(CCC)c1ccc(CN2CC[C@@H](n3cncn3)C2)cc1 ZINC000372362833 458290742 /nfs/dbraw/zinc/29/07/42/458290742.db2.gz ABWVOAKKRDCNQR-LJQANCHMSA-N 0 3 327.476 3.352 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1[O-] ZINC000529639938 459831677 /nfs/dbraw/zinc/83/16/77/459831677.db2.gz AJUUTRTVGFOYFF-ABAIWWIYSA-N 0 3 326.234 3.120 10 10 EGCEHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731015868 575044667 /nfs/dbraw/zinc/04/46/67/575044667.db2.gz KUBPSHZVPNLVPZ-HXUWFJFHSA-N 0 3 343.515 3.414 10 10 EGCEHN C[N@H+](Cc1cc2c(cc1[O-])CCC2)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438937 576828426 /nfs/dbraw/zinc/82/84/26/576828426.db2.gz UUYGHWIZHYEHBX-QGZVFWFLSA-N 0 3 346.471 3.322 10 10 EGCEHN C[N@@H+](Cc1cc2c(cc1[O-])CCC2)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438937 576828427 /nfs/dbraw/zinc/82/84/27/576828427.db2.gz UUYGHWIZHYEHBX-QGZVFWFLSA-N 0 3 346.471 3.322 10 10 EGCEHN COc1ccc([C@H]2OCC[C@@H]2[NH2+][C@H](C)c2cc(F)ccc2[O-])cn1 ZINC000585090397 1298027995 /nfs/dbraw/zinc/02/79/95/1298027995.db2.gz JCQIKWPIXCORTD-DJCROIMJSA-N 0 3 332.375 3.116 10 10 EGCEHN CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180133724 1294862820 /nfs/dbraw/zinc/86/28/20/1294862820.db2.gz AAALVHZSDNASHZ-UHFFFAOYSA-N 0 3 338.423 3.363 10 10 EGCEHN Cc1cc(O)c(CN2CCN(c3ccnc(C)n3)CC2)cc1C(C)C ZINC000184102612 1295171499 /nfs/dbraw/zinc/17/14/99/1295171499.db2.gz CXIICAVGYIGXKR-UHFFFAOYSA-N 0 3 340.471 3.245 10 10 EGCEHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@](O)(C(F)(F)F)C3)c2c1 ZINC000191420471 1295679888 /nfs/dbraw/zinc/67/98/88/1295679888.db2.gz OMPREJQRHYNHPY-INIZCTEOSA-N 0 3 341.329 3.053 10 10 EGCEHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@](O)(C(F)(F)F)C3)c2c1 ZINC000191420471 1295679904 /nfs/dbraw/zinc/67/99/04/1295679904.db2.gz OMPREJQRHYNHPY-INIZCTEOSA-N 0 3 341.329 3.053 10 10 EGCEHN CC(=O)c1cc(Cl)cc(CN2CCC[C@H](c3ncccn3)C2)c1O ZINC000886680978 1303557606 /nfs/dbraw/zinc/55/76/06/1303557606.db2.gz PQWJCMILSAAKTB-ZDUSSCGKSA-N 0 3 345.830 3.418 10 10 EGCEHN CC(=O)c1cccc(NC[C@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000897523292 1310362619 /nfs/dbraw/zinc/36/26/19/1310362619.db2.gz SYXIPPMHPMTWSI-GOSISDBHSA-N 0 3 326.444 3.065 10 10 EGCEHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000858137424 1328692208 /nfs/dbraw/zinc/69/22/08/1328692208.db2.gz PPXMMWYXECBEAT-INIZCTEOSA-N 0 3 349.837 3.334 10 10 EGCEHN C[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@](C)(O)c1ccccc1 ZINC000858183562 1328705959 /nfs/dbraw/zinc/70/59/59/1328705959.db2.gz ATEKMHBHUQGHBA-DJJJIMSYSA-N 0 3 334.410 3.417 10 10 EGCEHN COc1ccc(N2CCN(C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC2)cc1F ZINC000929823309 1328710962 /nfs/dbraw/zinc/71/09/62/1328710962.db2.gz SRZDNBPPCVREAE-YOWGUQMCSA-N 0 3 340.389 3.248 10 10 EGCEHN CCN(CC)c1ccc(CNCc2ccc3oc(=O)n(C)c3c2)cc1 ZINC000858294120 1328731082 /nfs/dbraw/zinc/73/10/82/1328731082.db2.gz JZTMSBFGOQRUFR-UHFFFAOYSA-N 0 3 339.439 3.268 10 10 EGCEHN COc1cccc([C@H](C)NCc2c(C(F)(F)F)cnn2C)c1O ZINC000858452266 1328765938 /nfs/dbraw/zinc/76/59/38/1328765938.db2.gz IJUPETZKPNYYAM-VIFPVBQESA-N 0 3 329.322 3.004 10 10 EGCEHN CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000926909875 1327770595 /nfs/dbraw/zinc/77/05/95/1327770595.db2.gz QLXAAWGAZZHZRP-MRXNPFEDSA-N 0 3 345.464 3.005 10 10 EGCEHN CN(C)c1cc(F)c(CN2CC[C@@H](Cc3ccncc3)C2)cc1F ZINC000862312810 1329475056 /nfs/dbraw/zinc/47/50/56/1329475056.db2.gz AGPUFHNSDKMXOR-HNNXBMFYSA-N 0 3 331.410 3.490 10 10 EGCEHN COc1cccc([C@@H](O)C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)c1 ZINC000862544198 1329495170 /nfs/dbraw/zinc/49/51/70/1329495170.db2.gz UBTXKABVCVNXIV-FQEVSTJZSA-N 0 3 345.414 3.486 10 10 EGCEHN Cc1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)on1 ZINC000865478542 1329703205 /nfs/dbraw/zinc/70/32/05/1329703205.db2.gz HLSQAOKXDCBAGI-CYBMUJFWSA-N 0 3 337.370 3.343 10 10 EGCEHN C[C@@H](N[C@H]1CCCn2nccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000866631983 1330135751 /nfs/dbraw/zinc/13/57/51/1330135751.db2.gz HHKPNMVFXJPPLK-PBHICJAKSA-N 0 3 344.434 3.045 10 10 EGCEHN Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccccc2O)N(C)C)cc1 ZINC000868212680 1330262689 /nfs/dbraw/zinc/26/26/89/1330262689.db2.gz ADQXAFXEIKXNGJ-MAUKXSAKSA-N 0 3 341.455 3.364 10 10 EGCEHN Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(CN(C)C)c1 ZINC001136813246 1377425735 /nfs/dbraw/zinc/42/57/35/1377425735.db2.gz ZAJIALRKFNRXBQ-UHFFFAOYSA-N 0 3 339.399 3.471 10 10 EGCEHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)NC3CC3)CC2)cc1C(C)C ZINC000068963288 454069721 /nfs/dbraw/zinc/06/97/21/454069721.db2.gz ISWCTLJEVROAAE-UHFFFAOYSA-N 0 3 330.472 3.315 10 10 EGCEHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000090410593 454301905 /nfs/dbraw/zinc/30/19/05/454301905.db2.gz DFSJFHHZRGFNKI-SJLPKXTDSA-N 0 3 344.503 3.131 10 10 EGCEHN COc1cccc(CN2CCC(NC(=O)C3CCCCC3)CC2)c1O ZINC000092644784 454597651 /nfs/dbraw/zinc/59/76/51/454597651.db2.gz DVVIYMKTAKZYMX-UHFFFAOYSA-N 0 3 346.471 3.062 10 10 EGCEHN COc1cccc(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1[O-] ZINC000092813288 454639325 /nfs/dbraw/zinc/63/93/25/454639325.db2.gz LANZWFSVWMBBOY-OAHLLOKOSA-N 0 3 327.428 3.038 10 10 EGCEHN COc1cccc(C[N@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1[O-] ZINC000092813288 454639329 /nfs/dbraw/zinc/63/93/29/454639329.db2.gz LANZWFSVWMBBOY-OAHLLOKOSA-N 0 3 327.428 3.038 10 10 EGCEHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1 ZINC000092813351 454640528 /nfs/dbraw/zinc/64/05/28/454640528.db2.gz PTBVDPYRBJJADF-MRXNPFEDSA-N 0 3 341.455 3.428 10 10 EGCEHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1 ZINC000092813351 454640535 /nfs/dbraw/zinc/64/05/35/454640535.db2.gz PTBVDPYRBJJADF-MRXNPFEDSA-N 0 3 341.455 3.428 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000180071130 455127222 /nfs/dbraw/zinc/12/72/22/455127222.db2.gz ASFFPQDDXMZXNO-CYBMUJFWSA-N 0 3 346.862 3.271 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000180071130 455127224 /nfs/dbraw/zinc/12/72/24/455127224.db2.gz ASFFPQDDXMZXNO-CYBMUJFWSA-N 0 3 346.862 3.271 10 10 EGCEHN Oc1cc2c(cc1CN1CCC(OCC3CCCC3)CC1)OCO2 ZINC000175257672 455431676 /nfs/dbraw/zinc/43/16/76/455431676.db2.gz WTEKDGGGTASVKI-UHFFFAOYSA-N 0 3 333.428 3.292 10 10 EGCEHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000185171136 455516136 /nfs/dbraw/zinc/51/61/36/455516136.db2.gz OVIVKIXVYSPTKA-VXGBXAGGSA-N 0 3 337.416 3.347 10 10 EGCEHN C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000277621879 455617459 /nfs/dbraw/zinc/61/74/59/455617459.db2.gz XEYICNNPJMSUMY-BEFAXECRSA-N 0 3 327.424 3.486 10 10 EGCEHN Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)cc(C)c3[O-])C2)n(C)n1 ZINC000278750631 455847545 /nfs/dbraw/zinc/84/75/45/455847545.db2.gz SDMKJLMTKXPINA-MRXNPFEDSA-N 0 3 348.878 3.155 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c([O-])c1 ZINC000189035557 456206810 /nfs/dbraw/zinc/20/68/10/456206810.db2.gz SNPRZNJUFILJCX-KSSFIOAISA-N 0 3 342.414 3.291 10 10 EGCEHN N=COc1ccc([C@H]2C(=N)C(=N)N=C(/N=N/c3ccccn3)C2=N)cc1 ZINC000299754832 456779011 /nfs/dbraw/zinc/77/90/11/456779011.db2.gz XBBKSCBSRRHRHW-BVROSVBSSA-N 0 3 346.354 3.364 10 10 EGCEHN Cc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000277368905 456798620 /nfs/dbraw/zinc/79/86/20/456798620.db2.gz FPQQKGMTUJXRBU-ZBFHGGJFSA-N 0 3 334.460 3.436 10 10 EGCEHN C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(Br)cc1[O-] ZINC000368103813 458009918 /nfs/dbraw/zinc/00/99/18/458009918.db2.gz YWIDCRYXAIQGJD-GXSJLCMTSA-N 0 3 336.233 3.086 10 10 EGCEHN C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(Br)cc1[O-] ZINC000368103813 458009926 /nfs/dbraw/zinc/00/99/26/458009926.db2.gz YWIDCRYXAIQGJD-GXSJLCMTSA-N 0 3 336.233 3.086 10 10 EGCEHN Oc1cc2c(cc1CN1CCC[C@@]3(C1)OCc1ccccc13)OCO2 ZINC000373450132 458495666 /nfs/dbraw/zinc/49/56/66/458495666.db2.gz ZAUHXRBLDNPXRS-FQEVSTJZSA-N 0 3 339.391 3.142 10 10 EGCEHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@]3(C1)OCc1ccccc13)OCO2 ZINC000373450132 458495670 /nfs/dbraw/zinc/49/56/70/458495670.db2.gz ZAUHXRBLDNPXRS-FQEVSTJZSA-N 0 3 339.391 3.142 10 10 EGCEHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@]3(C1)OCc1ccccc13)OCO2 ZINC000373450132 458495676 /nfs/dbraw/zinc/49/56/76/458495676.db2.gz ZAUHXRBLDNPXRS-FQEVSTJZSA-N 0 3 339.391 3.142 10 10 EGCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(C)cc1 ZINC000727830843 574692833 /nfs/dbraw/zinc/69/28/33/574692833.db2.gz QLLXDAFOGYXJPG-GOSISDBHSA-N 0 3 329.440 3.353 10 10 EGCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(C)cc1 ZINC000727830843 574692836 /nfs/dbraw/zinc/69/28/36/574692836.db2.gz QLLXDAFOGYXJPG-GOSISDBHSA-N 0 3 329.440 3.353 10 10 EGCEHN CN(C)CCOc1ccc(N(C)Cc2nc3ccccc3o2)cc1 ZINC000732411176 575268361 /nfs/dbraw/zinc/26/83/61/575268361.db2.gz RHBHPZNPGBNKKT-UHFFFAOYSA-N 0 3 325.412 3.405 10 10 EGCEHN Cc1ncc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000742384398 576777331 /nfs/dbraw/zinc/77/73/31/576777331.db2.gz AWFYNRRHOJMPLB-OAHLLOKOSA-N 0 3 348.397 3.145 10 10 EGCEHN C[N@@H+]1CCC[C@H](CNC(=O)c2cc([O-])cs2)[C@H]1c1cccs1 ZINC000743567312 576812254 /nfs/dbraw/zinc/81/22/54/576812254.db2.gz OUULBIOEZSYBRY-ABAIWWIYSA-N 0 3 336.482 3.328 10 10 EGCEHN C[N@H+]1CCC[C@H](CNC(=O)c2cc([O-])cs2)[C@H]1c1cccs1 ZINC000743567312 576812255 /nfs/dbraw/zinc/81/22/55/576812255.db2.gz OUULBIOEZSYBRY-ABAIWWIYSA-N 0 3 336.482 3.328 10 10 EGCEHN COc1ccc(CCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000066863854 1292131729 /nfs/dbraw/zinc/13/17/29/1292131729.db2.gz FIMXJYBSPCICPX-UHFFFAOYSA-N 0 3 326.440 3.069 10 10 EGCEHN FC(F)(F)[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000179621123 1294807968 /nfs/dbraw/zinc/80/79/68/1294807968.db2.gz XSKHSKMOFUIXLD-HNNXBMFYSA-N 0 3 328.378 3.298 10 10 EGCEHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC1CC(O)C1 ZINC000191159331 1295654169 /nfs/dbraw/zinc/65/41/69/1295654169.db2.gz BKXPWCWOGCMACD-UHFFFAOYSA-N 0 3 327.424 3.174 10 10 EGCEHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC1CC(O)C1 ZINC000191159331 1295654179 /nfs/dbraw/zinc/65/41/79/1295654179.db2.gz BKXPWCWOGCMACD-UHFFFAOYSA-N 0 3 327.424 3.174 10 10 EGCEHN CN(C)Cc1c2ccccc2oc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203394 1296270865 /nfs/dbraw/zinc/27/08/65/1296270865.db2.gz ZPLAFDDRCYXPJD-UHFFFAOYSA-N 0 3 336.391 3.356 10 10 EGCEHN COc1ccc(N2CC[C@H](N[C@H](C)c3cc(O)ccc3F)C2)cc1 ZINC000872085066 1296725077 /nfs/dbraw/zinc/72/50/77/1296725077.db2.gz NCRQJYLBHXTSDG-KGLIPLIRSA-N 0 3 330.403 3.469 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+][C@]23CCC[C@H]2OCC3)c1[O-] ZINC000872263622 1296868420 /nfs/dbraw/zinc/86/84/20/1296868420.db2.gz RONQEYHDZKTKEE-HIFRSBDPSA-N 0 3 326.234 3.264 10 10 EGCEHN COc1cc(C)cc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000894882050 1309113134 /nfs/dbraw/zinc/11/31/34/1309113134.db2.gz UOMAVBXHCRHQJN-YLJYHZDGSA-N 0 3 345.414 3.009 10 10 EGCEHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2[O-])C12CCC2 ZINC000858225870 1328715330 /nfs/dbraw/zinc/71/53/30/1328715330.db2.gz JOSORRZYQXMHPR-MRXNPFEDSA-N 0 3 332.444 3.414 10 10 EGCEHN Cc1cc(C(=O)NC[C@H]2CCCN2C)c(C)n1-c1ccc(F)cc1 ZINC000920474722 1322182053 /nfs/dbraw/zinc/18/20/53/1322182053.db2.gz KIXKNSQZKZNSSM-QGZVFWFLSA-N 0 3 329.419 3.057 10 10 EGCEHN CC[C@@H](C)N[C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccco1 ZINC000922423668 1322526108 /nfs/dbraw/zinc/52/61/08/1322526108.db2.gz HNNPUTNHWDVFFN-DOMZBBRYSA-N 0 3 349.406 3.053 10 10 EGCEHN CN(C)c1cc(F)c(CNC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1F ZINC000922454094 1322531287 /nfs/dbraw/zinc/53/12/87/1322531287.db2.gz BCGPHEFTMVWVFN-YGRLFVJLSA-N 0 3 338.320 3.230 10 10 EGCEHN C[C@@H]([NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1[O-] ZINC000926992315 1327810235 /nfs/dbraw/zinc/81/02/35/1327810235.db2.gz IBMNWBNOUGQAFB-MIGQKNRLSA-N 0 3 332.444 3.156 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+]CC[C@@H](O)COCc2ccccc2)c1[O-] ZINC000862547421 1329495694 /nfs/dbraw/zinc/49/56/94/1329495694.db2.gz FNDFRPBNTJGHQE-GOSISDBHSA-N 0 3 349.858 3.411 10 10 EGCEHN Cc1cc([O-])c(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000863645730 1329570118 /nfs/dbraw/zinc/57/01/18/1329570118.db2.gz LZHOTLFEPNNHNN-ZYHUDNBSSA-N 0 3 336.785 3.313 10 10 EGCEHN C[C@H](N[C@@H]1CCCn2nccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000866631986 1330135754 /nfs/dbraw/zinc/13/57/54/1330135754.db2.gz HHKPNMVFXJPPLK-WMLDXEAASA-N 0 3 344.434 3.045 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)CC2CCCCC2)N(C)C)cc1 ZINC001134882597 1376765207 /nfs/dbraw/zinc/76/52/07/1376765207.db2.gz RNUOMXICNSEHPX-IBGZPJMESA-N 0 3 331.504 3.442 10 10 EGCEHN Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2[O-])cccc1[N+](=O)[O-] ZINC001308009920 1384073970 /nfs/dbraw/zinc/07/39/70/1384073970.db2.gz HMOPVLOPWKGDPH-CHWSQXEVSA-N 0 3 343.383 3.287 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)c2cc(C)[nH]c2C)cc1C ZINC001715878677 1420380740 /nfs/dbraw/zinc/38/07/40/1420380740.db2.gz NYKALRVPQOQHOO-AATRIKPKSA-N 0 3 341.455 3.024 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)/C=C/c2ccco2)cc1C ZINC001716262366 1420587185 /nfs/dbraw/zinc/58/71/85/1420587185.db2.gz GNVDEUUIPSUFTN-FJMRRMLCSA-N 0 3 340.423 3.072 10 10 EGCEHN COc1cccc([C@@H](C)[NH2+]C[C@]2(C)COc3ccccc3O2)c1[O-] ZINC000527932919 312976135 /nfs/dbraw/zinc/97/61/35/312976135.db2.gz RLRWUNKBHIBKDL-BFUOFWGJSA-N 0 3 329.396 3.282 10 10 EGCEHN C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(Br)cc1[O-] ZINC000368103816 458010609 /nfs/dbraw/zinc/01/06/09/458010609.db2.gz YWIDCRYXAIQGJD-ONGXEEELSA-N 0 3 336.233 3.086 10 10 EGCEHN C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(Br)cc1[O-] ZINC000368103816 458010618 /nfs/dbraw/zinc/01/06/18/458010618.db2.gz YWIDCRYXAIQGJD-ONGXEEELSA-N 0 3 336.233 3.086 10 10 EGCEHN COc1ccccc1CN[C@H](C)c1ccc(N2CCN(C)CC2)cc1 ZINC000071825384 454225575 /nfs/dbraw/zinc/22/55/75/454225575.db2.gz RMWPMKINGXTZBO-QGZVFWFLSA-N 0 3 339.483 3.298 10 10 EGCEHN COc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000071825308 454225770 /nfs/dbraw/zinc/22/57/70/454225770.db2.gz NWMIDBFFNXULIV-UHFFFAOYSA-N 0 3 344.430 3.085 10 10 EGCEHN COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1[O-] ZINC000122878219 454577662 /nfs/dbraw/zinc/57/76/62/454577662.db2.gz YNWISGHNDRKVKP-MRXNPFEDSA-N 0 3 340.423 3.252 10 10 EGCEHN COc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1[O-] ZINC000122878219 454577666 /nfs/dbraw/zinc/57/76/66/454577666.db2.gz YNWISGHNDRKVKP-MRXNPFEDSA-N 0 3 340.423 3.252 10 10 EGCEHN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccs1 ZINC000171111651 455032056 /nfs/dbraw/zinc/03/20/56/455032056.db2.gz KOPZRWXFSRRBOD-CQSZACIVSA-N 0 3 331.485 3.123 10 10 EGCEHN Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([O-])c1O ZINC000182350850 455494724 /nfs/dbraw/zinc/49/47/24/455494724.db2.gz BKCHDQNGGYFDSE-INIZCTEOSA-N 0 3 346.471 3.134 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c1[O-] ZINC000271889072 455798584 /nfs/dbraw/zinc/79/85/84/455798584.db2.gz RLCYBZUYSMQZCR-QGZVFWFLSA-N 0 3 344.842 3.245 10 10 EGCEHN COc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2O)cc1 ZINC000378374327 457393057 /nfs/dbraw/zinc/39/30/57/457393057.db2.gz FOQOCZQUEBNPEM-KRWDZBQOSA-N 0 3 326.396 3.004 10 10 EGCEHN Cc1cc(Cl)cc(CN2CCC(Oc3cnccn3)CC2)c1O ZINC000373264908 458447130 /nfs/dbraw/zinc/44/71/30/458447130.db2.gz RTSCPFXQBDXXIC-UHFFFAOYSA-N 0 3 333.819 3.187 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373536987 458523968 /nfs/dbraw/zinc/52/39/68/458523968.db2.gz YTKWTBVNXFGXBQ-IBGZPJMESA-N 0 3 342.826 3.450 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373536987 458523970 /nfs/dbraw/zinc/52/39/70/458523970.db2.gz YTKWTBVNXFGXBQ-IBGZPJMESA-N 0 3 342.826 3.450 10 10 EGCEHN COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cc(C)ccc2[O-])cc1 ZINC000527775823 459733250 /nfs/dbraw/zinc/73/32/50/459733250.db2.gz VQKVDJFGJDYXDN-SFHVURJKSA-N 0 3 326.440 3.073 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(C)COc3ccccc3O2)c1 ZINC000527926912 459774583 /nfs/dbraw/zinc/77/45/83/459774583.db2.gz ADFSXPDARWQCSS-ORAYPTAESA-N 0 3 329.396 3.282 10 10 EGCEHN COc1ccc(O)c([C@@H](C)NC[C@H](n2cccn2)C(F)(F)F)c1 ZINC000527939330 459777370 /nfs/dbraw/zinc/77/73/70/459777370.db2.gz NVQYJTBKXIUFHA-YGRLFVJLSA-N 0 3 329.322 3.052 10 10 EGCEHN CN(C)[C@H]1CC[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000170843148 1294383845 /nfs/dbraw/zinc/38/38/45/1294383845.db2.gz RNHSIBIYKUEQPM-AWEZNQCLSA-N 0 3 349.272 3.444 10 10 EGCEHN CN(C)[C@H]1CC[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000170843148 1294383853 /nfs/dbraw/zinc/38/38/53/1294383853.db2.gz RNHSIBIYKUEQPM-AWEZNQCLSA-N 0 3 349.272 3.444 10 10 EGCEHN C[C@H](CC(F)(F)F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247384 1304999627 /nfs/dbraw/zinc/99/96/27/1304999627.db2.gz JTCVQCQQJYSCOM-IUODEOHRSA-N 0 3 345.409 3.060 10 10 EGCEHN COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)c1[O-] ZINC000858592505 1328803928 /nfs/dbraw/zinc/80/39/28/1328803928.db2.gz DNQBSNDSLRZCNJ-FOGDFJRCSA-N 0 3 344.249 3.239 10 10 EGCEHN C[C@H](NCc1cc(N)ccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000925771950 1325293864 /nfs/dbraw/zinc/29/38/64/1325293864.db2.gz PISWISCIQSDNBN-ZDUSSCGKSA-N 0 3 346.862 3.005 10 10 EGCEHN C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000925775284 1325295435 /nfs/dbraw/zinc/29/54/35/1325295435.db2.gz FKODTZAIMSVBDU-UWVGGRQHSA-N 0 3 338.320 3.306 10 10 EGCEHN COc1ccc(N2CC[C@H](N[C@H](C)c3cn4c(n3)CCCC4)C2)cc1 ZINC000926680597 1327664201 /nfs/dbraw/zinc/66/42/01/1327664201.db2.gz PTXYQZDFGIITPF-CVEARBPZSA-N 0 3 340.471 3.158 10 10 EGCEHN CCC[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000927025905 1327824434 /nfs/dbraw/zinc/82/44/34/1327824434.db2.gz YXEFSJSYCXXHRR-ZYHUDNBSSA-N 0 3 346.265 3.365 10 10 EGCEHN COc1ccc(C[NH2+]Cc2ccc(OC)c(OC3CC3)c2)c([O-])c1 ZINC000862352636 1329476923 /nfs/dbraw/zinc/47/69/23/1329476923.db2.gz GTWYKZISMZEJTE-UHFFFAOYSA-N 0 3 329.396 3.240 10 10 EGCEHN C[C@@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cc(Br)c(F)cc1[O-] ZINC000863544855 1329562629 /nfs/dbraw/zinc/56/26/29/1329562629.db2.gz CYXHNCQMCVHWDF-BBBLOLIVSA-N 0 3 331.229 3.085 10 10 EGCEHN C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000863544855 1329562631 /nfs/dbraw/zinc/56/26/31/1329562631.db2.gz CYXHNCQMCVHWDF-BBBLOLIVSA-N 0 3 331.229 3.085 10 10 EGCEHN CC1CCN(c2ccc(CNCc3cnc4c(cnn4C)c3)cc2)CC1 ZINC000865455860 1329699697 /nfs/dbraw/zinc/69/96/97/1329699697.db2.gz HBHNGAGPFITRSK-UHFFFAOYSA-N 0 3 349.482 3.494 10 10 EGCEHN CC(C)CN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C ZINC001479534217 1392272538 /nfs/dbraw/zinc/27/25/38/1392272538.db2.gz JVGBHLPMIHLBAZ-LJQANCHMSA-N 0 3 348.535 3.431 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(Cl)c2)N(C)C)cc1 ZINC000005097752 210389576 /nfs/dbraw/zinc/38/95/76/210389576.db2.gz QKRXDVYJZMDPQW-SFHVURJKSA-N 0 3 345.874 3.439 10 10 EGCEHN CC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])OCCCO1 ZINC000190839781 455389689 /nfs/dbraw/zinc/38/96/89/455389689.db2.gz BBBDCOULYKHBQF-UHFFFAOYSA-N 0 3 343.423 3.214 10 10 EGCEHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccc(O)cc3)CC1)OCO2 ZINC000119596313 454205921 /nfs/dbraw/zinc/20/59/21/454205921.db2.gz ANGOXZUJUUKAEM-UHFFFAOYSA-N 0 3 327.380 3.206 10 10 EGCEHN COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3cccc(OC)c3[O-])C2)c1 ZINC000093838054 454738299 /nfs/dbraw/zinc/73/82/99/454738299.db2.gz CICKLJTZYYSNEX-CQSZACIVSA-N 0 3 343.423 3.408 10 10 EGCEHN COc1cc(OC)cc([C@@H]2CC[N@@H+](Cc3cccc(OC)c3[O-])C2)c1 ZINC000093838054 454738303 /nfs/dbraw/zinc/73/83/03/454738303.db2.gz CICKLJTZYYSNEX-CQSZACIVSA-N 0 3 343.423 3.408 10 10 EGCEHN Cc1ccc([O-])c(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c1 ZINC000153291088 454779619 /nfs/dbraw/zinc/77/96/19/454779619.db2.gz YBUMPUBFDLPAAG-UHFFFAOYSA-N 0 3 338.451 3.403 10 10 EGCEHN C[C@@H](Cn1cncn1)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000164178348 454876623 /nfs/dbraw/zinc/87/66/23/454876623.db2.gz QKNSRFSRGHYRPL-IRXDYDNUSA-N 0 3 327.476 3.398 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000185762949 455617382 /nfs/dbraw/zinc/61/73/82/455617382.db2.gz KRVDSNMIRINWDT-GDBMZVCRSA-N 0 3 346.471 3.233 10 10 EGCEHN C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000284290366 455663087 /nfs/dbraw/zinc/66/30/87/455663087.db2.gz KFRIJFLQVVGFLJ-AXHNFQJDSA-N 0 3 335.488 3.080 10 10 EGCEHN Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3c(C)cc(C)cc3[O-])C2)n(C)n1 ZINC000285279140 455817177 /nfs/dbraw/zinc/81/71/77/455817177.db2.gz REKGFWUWVIBCSG-SJORKVTESA-N 0 3 342.487 3.371 10 10 EGCEHN CC(=O)NC1CCC([NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000273579406 456238418 /nfs/dbraw/zinc/23/84/18/456238418.db2.gz MGOZQITYTYJDSI-NLNFPOJYSA-N 0 3 330.472 3.369 10 10 EGCEHN CCSCCNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000273693828 456243444 /nfs/dbraw/zinc/24/34/44/456243444.db2.gz IMARONMHFLJYNV-UHFFFAOYSA-N 0 3 348.434 3.385 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1[O-] ZINC000283115608 456713379 /nfs/dbraw/zinc/71/33/79/456713379.db2.gz UVCKIVGBQXCXIM-GUYCJALGSA-N 0 3 339.863 3.011 10 10 EGCEHN CCOc1ccc([O-])c(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c1 ZINC000362673240 457037740 /nfs/dbraw/zinc/03/77/40/457037740.db2.gz AMTXLHJYDJUAMH-UHFFFAOYSA-N 0 3 337.423 3.481 10 10 EGCEHN [O-]c1cc(OCc2ccccc2)ccc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530178856 458709161 /nfs/dbraw/zinc/70/91/61/458709161.db2.gz RTWQWVMVCIEWAE-HXUWFJFHSA-N 0 3 338.451 3.345 10 10 EGCEHN Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cc(C)ccc3[O-])CC2)o1 ZINC000527588814 459665361 /nfs/dbraw/zinc/66/53/61/459665361.db2.gz UBLOAPVGSUIAQH-UHFFFAOYSA-N 0 3 342.439 3.305 10 10 EGCEHN COc1cc(Br)cc(C[NH2+]CC[C@@H]2CCCOC2)c1[O-] ZINC000527735796 459718720 /nfs/dbraw/zinc/71/87/20/459718720.db2.gz CNXZXRFVVXRAEE-NSHDSACASA-N 0 3 344.249 3.070 10 10 EGCEHN Cc1cc(C(=O)N2CCC[C@H]2CN(C)C)c(C)n1-c1ccc(F)cc1 ZINC000727750292 574688664 /nfs/dbraw/zinc/68/86/64/574688664.db2.gz WHYXMEMXEJODQG-SFHVURJKSA-N 0 3 343.446 3.399 10 10 EGCEHN CCN(CC)c1ccc(CNC2(CO)Cc3ccccc3C2)cc1F ZINC000740008184 576531293 /nfs/dbraw/zinc/53/12/93/576531293.db2.gz YLKNNBFNZSOAMU-UHFFFAOYSA-N 0 3 342.458 3.291 10 10 EGCEHN CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000879651312 1300651284 /nfs/dbraw/zinc/65/12/84/1300651284.db2.gz QVRUTPHVJMIWAV-STQMWFEESA-N 0 3 326.396 3.273 10 10 EGCEHN C[C@H](CC(F)(F)F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247383 1304998857 /nfs/dbraw/zinc/99/88/57/1304998857.db2.gz JTCVQCQQJYSCOM-DOMZBBRYSA-N 0 3 345.409 3.060 10 10 EGCEHN COc1cc(C)cc(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000894882047 1309113037 /nfs/dbraw/zinc/11/30/37/1309113037.db2.gz UOMAVBXHCRHQJN-FXAWDEMLSA-N 0 3 345.414 3.009 10 10 EGCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000929753637 1328688096 /nfs/dbraw/zinc/68/80/96/1328688096.db2.gz SYOCLHUYDZEXLI-TZIWHRDSSA-N 0 3 343.467 3.479 10 10 EGCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000929753637 1328688101 /nfs/dbraw/zinc/68/81/01/1328688101.db2.gz SYOCLHUYDZEXLI-TZIWHRDSSA-N 0 3 343.467 3.479 10 10 EGCEHN COc1cccc([C@H](C)NC[C@@H](n2cccn2)C(F)(F)F)c1O ZINC000858448831 1328765676 /nfs/dbraw/zinc/76/56/76/1328765676.db2.gz GVGSDOBUAUFNNM-GXFFZTMASA-N 0 3 329.322 3.052 10 10 EGCEHN COCCOc1cccc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000921546962 1322347901 /nfs/dbraw/zinc/34/79/01/1322347901.db2.gz JWDBAUVAZHHCJH-UHFFFAOYSA-N 0 3 327.424 3.327 10 10 EGCEHN CC[C@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1[O-] ZINC000925794887 1325304442 /nfs/dbraw/zinc/30/44/42/1325304442.db2.gz VWZFGDOENOYOFJ-BBRMVZONSA-N 0 3 338.879 3.245 10 10 EGCEHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H](O)C(F)F)c1[O-] ZINC000866442182 1330112969 /nfs/dbraw/zinc/11/29/69/1330112969.db2.gz GJNFXHIEAKVYKO-LDYMZIIASA-N 0 3 338.192 3.130 10 10 EGCEHN CC[C@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccccc1[O-] ZINC000866516641 1330120932 /nfs/dbraw/zinc/12/09/32/1330120932.db2.gz FSWZRVZDMOXAKZ-ZVZYQTTQSA-N 0 3 345.464 3.438 10 10 EGCEHN C=C/C(C)=C\CC(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001323515664 1387379539 /nfs/dbraw/zinc/37/95/39/1387379539.db2.gz CSACULCMQNCOJY-UUASQNMZSA-N 0 3 328.456 3.264 10 10 EGCEHN CCC(C)(C)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001234316875 1376806863 /nfs/dbraw/zinc/80/68/63/1376806863.db2.gz SDDNHXLFUNLBSP-GOSISDBHSA-N 0 3 348.535 3.481 10 10 EGCEHN C[C@]12CN(C(=O)c3cc([O-])cs3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001154312217 1380253609 /nfs/dbraw/zinc/25/36/09/1380253609.db2.gz BWBCSRIMRBPNGJ-BEFAXECRSA-N 0 3 342.464 3.048 10 10 EGCEHN C[C@]12CN(C(=O)c3cc([O-])cs3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001154312217 1380253616 /nfs/dbraw/zinc/25/36/16/1380253616.db2.gz BWBCSRIMRBPNGJ-BEFAXECRSA-N 0 3 342.464 3.048 10 10 EGCEHN C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(C(=O)C1=CC(=O)CS1)C2 ZINC001154312217 1380253618 /nfs/dbraw/zinc/25/36/18/1380253618.db2.gz BWBCSRIMRBPNGJ-BEFAXECRSA-N 0 3 342.464 3.048 10 10 EGCEHN CC[C@@H]1C[C@@H](C)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001313410103 1384416516 /nfs/dbraw/zinc/41/65/16/1384416516.db2.gz DMVPDHAUUKSBCA-SZVBFZGTSA-N 0 3 346.519 3.185 10 10 EGCEHN C[C@H]1[C@@H](C)N(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H]1C ZINC001313410842 1384416570 /nfs/dbraw/zinc/41/65/70/1384416570.db2.gz FWWSXWQITBRYRQ-YKTARERQSA-N 0 3 346.519 3.041 10 10 EGCEHN CC(C)CN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)C ZINC001479534216 1392272230 /nfs/dbraw/zinc/27/22/30/1392272230.db2.gz JVGBHLPMIHLBAZ-IBGZPJMESA-N 0 3 348.535 3.431 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)cc1C ZINC001732867942 1429019001 /nfs/dbraw/zinc/01/90/01/1429019001.db2.gz DXQNGUYMQGNTKC-QGZQEYEKSA-N 0 3 342.483 3.202 10 10 EGCEHN C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)ccc2[O-])CCN1C ZINC000093643633 454725760 /nfs/dbraw/zinc/72/57/60/454725760.db2.gz UIHQMVVLLSKSJG-FZMZJTMJSA-N 0 3 327.266 3.069 10 10 EGCEHN C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)ccc2[O-])CCN1C ZINC000093643633 454725762 /nfs/dbraw/zinc/72/57/62/454725762.db2.gz UIHQMVVLLSKSJG-FZMZJTMJSA-N 0 3 327.266 3.069 10 10 EGCEHN c1[nH]nc(-c2cccnc2)c1CNCc1ccc(N2CCCC2)cc1 ZINC000097159314 454418581 /nfs/dbraw/zinc/41/85/81/454418581.db2.gz WLFXRKHVWACNGP-UHFFFAOYSA-N 0 3 333.439 3.362 10 10 EGCEHN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1[O-] ZINC000177372447 454857365 /nfs/dbraw/zinc/85/73/65/454857365.db2.gz LUWRNYUTDHWXCO-MRXNPFEDSA-N 0 3 347.846 3.418 10 10 EGCEHN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1[O-] ZINC000177372447 454857367 /nfs/dbraw/zinc/85/73/67/454857367.db2.gz LUWRNYUTDHWXCO-MRXNPFEDSA-N 0 3 347.846 3.418 10 10 EGCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000179639722 455063608 /nfs/dbraw/zinc/06/36/08/455063608.db2.gz GJKXMEKGQOJODQ-HNNXBMFYSA-N 0 3 340.423 3.252 10 10 EGCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000179639722 455063610 /nfs/dbraw/zinc/06/36/10/455063610.db2.gz GJKXMEKGQOJODQ-HNNXBMFYSA-N 0 3 340.423 3.252 10 10 EGCEHN C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000185172966 455515833 /nfs/dbraw/zinc/51/58/33/455515833.db2.gz IKDNPLFBSGKDRD-AWEZNQCLSA-N 0 3 342.414 3.487 10 10 EGCEHN CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2[O-])c2ccc(F)cc2C1 ZINC000185604010 455584086 /nfs/dbraw/zinc/58/40/86/455584086.db2.gz DFRDCPTWEJPDLY-IBGZPJMESA-N 0 3 342.414 3.423 10 10 EGCEHN Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c([O-])c1 ZINC000283900546 455608511 /nfs/dbraw/zinc/60/85/11/455608511.db2.gz CXASXCRMDGVWFH-HNNXBMFYSA-N 0 3 347.480 3.404 10 10 EGCEHN CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000284178495 455646987 /nfs/dbraw/zinc/64/69/87/455646987.db2.gz XLOVZIISVLYUBX-QUCCMNQESA-N 0 3 343.467 3.307 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1[O-] ZINC000295196751 455842496 /nfs/dbraw/zinc/84/24/96/455842496.db2.gz YAHFQGXKRRVYOP-UHFFFAOYSA-N 0 3 345.892 3.047 10 10 EGCEHN Cc1noc(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])n1 ZINC000187321466 455894441 /nfs/dbraw/zinc/89/44/41/455894441.db2.gz MDPZWYDWMJUKPN-VIFPVBQESA-N 0 3 340.221 3.048 10 10 EGCEHN CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296270218 455896245 /nfs/dbraw/zinc/89/62/45/455896245.db2.gz CCKHKJFPYNGRLE-HIFRSBDPSA-N 0 3 332.444 3.226 10 10 EGCEHN CN(C)c1ccc(CNCC2(C)OCCCO2)c(C(F)(F)F)c1 ZINC000280691748 456031963 /nfs/dbraw/zinc/03/19/63/456031963.db2.gz VUVPYWXHXTXRHD-UHFFFAOYSA-N 0 3 332.366 3.014 10 10 EGCEHN CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000189033874 456204632 /nfs/dbraw/zinc/20/46/32/456204632.db2.gz ZIFCFPZDRUOKEF-QZTJIDSGSA-N 0 3 342.414 3.373 10 10 EGCEHN Cc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c([O-])c1C ZINC000273582587 456238891 /nfs/dbraw/zinc/23/88/91/456238891.db2.gz NBNCADDSRVBGPY-VQIMIIECSA-N 0 3 340.467 3.359 10 10 EGCEHN Cc1ccc([C@@H](C)N[C@H](Cc2ccccc2)C(=O)N(C)C)c(O)c1C ZINC000273582587 456238894 /nfs/dbraw/zinc/23/88/94/456238894.db2.gz NBNCADDSRVBGPY-VQIMIIECSA-N 0 3 340.467 3.359 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1[O-] ZINC000283115599 456714068 /nfs/dbraw/zinc/71/40/68/456714068.db2.gz UVCKIVGBQXCXIM-CXAGYDPISA-N 0 3 339.863 3.011 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c([O-])c1C ZINC000283370715 456766730 /nfs/dbraw/zinc/76/67/30/456766730.db2.gz NXWZPZDNTWYHGA-FRQCXROJSA-N 0 3 333.472 3.227 10 10 EGCEHN COc1ccc(CN2CC[C@H]2C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000527965483 459784013 /nfs/dbraw/zinc/78/40/13/459784013.db2.gz MOSPCYOEKLSLHL-HKUYNNGSSA-N 0 3 338.451 3.252 10 10 EGCEHN COCCCN(Cc1ccncc1)Cc1cc2c(cc1O)CCC2 ZINC000730255247 574962669 /nfs/dbraw/zinc/96/26/69/574962669.db2.gz ZSBKCLWENQVGEM-UHFFFAOYSA-N 0 3 326.440 3.315 10 10 EGCEHN COCCC[N@H+](Cc1ccncc1)Cc1cc2c(cc1[O-])CCC2 ZINC000730255247 574962670 /nfs/dbraw/zinc/96/26/70/574962670.db2.gz ZSBKCLWENQVGEM-UHFFFAOYSA-N 0 3 326.440 3.315 10 10 EGCEHN COCCC[N@@H+](Cc1ccncc1)Cc1cc2c(cc1[O-])CCC2 ZINC000730255247 574962673 /nfs/dbraw/zinc/96/26/73/574962673.db2.gz ZSBKCLWENQVGEM-UHFFFAOYSA-N 0 3 326.440 3.315 10 10 EGCEHN Cc1cc([C@@H](N)CC(=O)N[C@@H](C)c2ccccc2O)cc(Cl)n1 ZINC000870988221 1296165690 /nfs/dbraw/zinc/16/56/90/1296165690.db2.gz JFEXPLCSWUUMRR-FZMZJTMJSA-N 0 3 333.819 3.016 10 10 EGCEHN CCN(C)c1ccc([C@H](C)NCc2ccc3oc(=O)n(C)c3c2)cc1 ZINC000858538385 1328791756 /nfs/dbraw/zinc/79/17/56/1328791756.db2.gz LYIOVKJDSOMJKM-AWEZNQCLSA-N 0 3 339.439 3.438 10 10 EGCEHN Cc1cc(Cl)cc(CNCc2c(C(F)(F)F)cnn2C)c1O ZINC000862435839 1329486654 /nfs/dbraw/zinc/48/66/54/1329486654.db2.gz NADWHORDENQFGN-UHFFFAOYSA-N 0 3 333.741 3.396 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)c1[O-] ZINC000862435839 1329486657 /nfs/dbraw/zinc/48/66/57/1329486657.db2.gz NADWHORDENQFGN-UHFFFAOYSA-N 0 3 333.741 3.396 10 10 EGCEHN COc1cncc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000865432483 1329696752 /nfs/dbraw/zinc/69/67/52/1329696752.db2.gz YHSFNLNUKVWJSC-MRXNPFEDSA-N 0 3 341.455 3.086 10 10 EGCEHN CC[C@@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1ccccc1[O-] ZINC000866575726 1330129064 /nfs/dbraw/zinc/12/90/64/1330129064.db2.gz COXMZWSBVVSHRK-GOSISDBHSA-N 0 3 339.439 3.158 10 10 EGCEHN CCCN(CC(C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001313409226 1384416573 /nfs/dbraw/zinc/41/65/73/1384416573.db2.gz ALPPEPWQHISQMB-IBGZPJMESA-N 0 3 348.535 3.433 10 10 EGCEHN CCN(C)c1ccc(CN2Cc3cnn(C)c3CC(C)(C)C2)cc1 ZINC001174975413 1385177473 /nfs/dbraw/zinc/17/74/73/1385177473.db2.gz KKFXOQNQSFJSKV-UHFFFAOYSA-N 0 3 326.488 3.461 10 10 EGCEHN Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccccc2[O-])cccc1[N+](=O)[O-] ZINC001175419499 1385281847 /nfs/dbraw/zinc/28/18/47/1385281847.db2.gz VVGPVWOIXDTULF-ZDUSSCGKSA-N 0 3 343.383 3.288 10 10 EGCEHN CN(Cc1ccc(F)cc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320476515 1386621443 /nfs/dbraw/zinc/62/14/43/1386621443.db2.gz YXGGJSGEOUDZHY-UHFFFAOYSA-N 0 3 345.437 3.349 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)c2ccc(C)s2)cc1C ZINC001732818312 1428993878 /nfs/dbraw/zinc/99/38/78/1428993878.db2.gz TVXJGCSDGIFODV-PLNGDYQASA-N 0 3 344.480 3.449 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CC[C@@H](C)C2)cc1C ZINC001715876248 1420379823 /nfs/dbraw/zinc/37/98/23/1420379823.db2.gz IGYVGYGCVVVJRO-CHABLROBSA-N 0 3 330.472 3.202 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@@]34C[C@@H]3CCCC4)CC2)cc1C ZINC001716692597 1420845198 /nfs/dbraw/zinc/84/51/98/1420845198.db2.gz ACTVTBIDYLELSQ-UWJYYQICSA-N 0 3 342.483 3.322 10 10 EGCEHN CCCNC(=O)c1cccc(CNCc2cccc(OCC)c2O)c1 ZINC000060332774 454277438 /nfs/dbraw/zinc/27/74/38/454277438.db2.gz WCJAOWGOJSMFAJ-UHFFFAOYSA-N 0 3 342.439 3.221 10 10 EGCEHN C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccs1 ZINC000171111646 455032011 /nfs/dbraw/zinc/03/20/11/455032011.db2.gz KOPZRWXFSRRBOD-AWEZNQCLSA-N 0 3 331.485 3.123 10 10 EGCEHN Cc1cccc(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)c1[O-] ZINC000180114678 455134342 /nfs/dbraw/zinc/13/43/42/455134342.db2.gz UPUJPNLRPBYXTH-QGZVFWFLSA-N 0 3 346.496 3.267 10 10 EGCEHN Cc1cccc(C[N@@H+](C)C[C@H](c2cccs2)N2CCOCC2)c1[O-] ZINC000180114678 455134343 /nfs/dbraw/zinc/13/43/43/455134343.db2.gz UPUJPNLRPBYXTH-QGZVFWFLSA-N 0 3 346.496 3.267 10 10 EGCEHN C[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(N2CCCCCC2)cc1 ZINC000180497840 455182924 /nfs/dbraw/zinc/18/29/24/455182924.db2.gz BYKRFACCBUYNOG-FXAWDEMLSA-N 0 3 331.504 3.048 10 10 EGCEHN COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000185712401 455603656 /nfs/dbraw/zinc/60/36/56/455603656.db2.gz KFUJRQDSEUQDSV-DZGCQCFKSA-N 0 3 330.403 3.469 10 10 EGCEHN Cc1nc(F)ccc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000278351711 455826995 /nfs/dbraw/zinc/82/69/95/455826995.db2.gz HYJUQWUVLMEFIE-UHFFFAOYSA-N 0 3 343.446 3.028 10 10 EGCEHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000189051109 456212726 /nfs/dbraw/zinc/21/27/26/456212726.db2.gz XCQJMPZRNNMMRP-KBXCAEBGSA-N 0 3 342.414 3.291 10 10 EGCEHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1 ZINC000237075790 456227552 /nfs/dbraw/zinc/22/75/52/456227552.db2.gz HDKFLNRONRNSGH-KRWDZBQOSA-N 0 3 330.428 3.311 10 10 EGCEHN CCOc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000373909211 457396227 /nfs/dbraw/zinc/39/62/27/457396227.db2.gz ZSIXOBQWCBRAIZ-WBVHZDCISA-N 0 3 346.471 3.062 10 10 EGCEHN COc1cc([O-])c(C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)cc1OC ZINC000371469767 457947693 /nfs/dbraw/zinc/94/76/93/457947693.db2.gz GNWCYUUZTPOQBL-UGSOOPFHSA-N 0 3 343.423 3.233 10 10 EGCEHN COc1cc([O-])c(C[N@@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)cc1OC ZINC000371469767 457947695 /nfs/dbraw/zinc/94/76/95/457947695.db2.gz GNWCYUUZTPOQBL-UGSOOPFHSA-N 0 3 343.423 3.233 10 10 EGCEHN Cc1cc(Cl)cc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1[O-] ZINC000369143354 458099946 /nfs/dbraw/zinc/09/99/46/458099946.db2.gz LNAJUOPSDUCGIT-MRXNPFEDSA-N 0 3 335.835 3.023 10 10 EGCEHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CC[C@@H](c3ccccc3)O1)OCO2 ZINC000377780770 458524434 /nfs/dbraw/zinc/52/44/34/458524434.db2.gz SBMQBPPIBCEUHR-WBVHZDCISA-N 0 3 327.380 3.131 10 10 EGCEHN C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1[O-] ZINC000530215193 458719932 /nfs/dbraw/zinc/71/99/32/458719932.db2.gz FAXLNEYKWWSCPG-HZMBPMFUSA-N 0 3 325.250 3.090 10 10 EGCEHN COc1cc(Br)cc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1[O-] ZINC000527806611 459743267 /nfs/dbraw/zinc/74/32/67/459743267.db2.gz YGENNFZAJLBUQV-RBQUTUCGSA-N 0 3 344.249 3.065 10 10 EGCEHN CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C)cc1[O-] ZINC000365581615 547777504 /nfs/dbraw/zinc/77/75/04/547777504.db2.gz PYHHGUVHNURVTK-YJBOKZPZSA-N 0 3 328.460 3.144 10 10 EGCEHN CC[C@H]1CN(Cc2c(O)c(C(=O)OC)cc3ccccc32)C[C@H](C)O1 ZINC000732186157 575242677 /nfs/dbraw/zinc/24/26/77/575242677.db2.gz YIXDSXSSNGFEAY-ZFWWWQNUSA-N 0 3 343.423 3.331 10 10 EGCEHN [O-]c1cccc(Br)c1CN1CCC([NH+]2CCCC2)CC1 ZINC000707164271 1298226159 /nfs/dbraw/zinc/22/61/59/1298226159.db2.gz SBLXSPVBTCYGJI-UHFFFAOYSA-N 0 3 339.277 3.215 10 10 EGCEHN COC(=O)c1c(CNC[C@]2(C)CC2(F)F)c2cc(F)ccc2n1C ZINC000895276157 1309268012 /nfs/dbraw/zinc/26/80/12/1309268012.db2.gz USDBJHOYPJNARP-INIZCTEOSA-N 0 3 340.345 3.239 10 10 EGCEHN Fc1cc(CN2CCC3(CCCCO3)CC2)ccc1N1CCOCC1 ZINC000895657595 1309450465 /nfs/dbraw/zinc/45/04/65/1309450465.db2.gz AEKGAJPIYLYYCM-UHFFFAOYSA-N 0 3 348.462 3.197 10 10 EGCEHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc2cc(O)c(O)cc2s1 ZINC000898440512 1310736652 /nfs/dbraw/zinc/73/66/52/1310736652.db2.gz VOLJCEYOQJYGSF-STQMWFEESA-N 0 3 346.452 3.059 10 10 EGCEHN C[C@]1(NCc2ccc(N3CCOCC3)cc2)CCOc2ccccc21 ZINC000923026081 1322677789 /nfs/dbraw/zinc/67/77/89/1322677789.db2.gz QVMUSHVZNGPSFW-NRFANRHFSA-N 0 3 338.451 3.311 10 10 EGCEHN CCn1nc(C)c([C@H](C)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000926597336 1327630631 /nfs/dbraw/zinc/63/06/31/1327630631.db2.gz WREIJGKHGBLAIK-CABCVRRESA-N 0 3 329.492 3.263 10 10 EGCEHN COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cc([O-])cc(F)c3)C2)cc1 ZINC000926680450 1327663515 /nfs/dbraw/zinc/66/35/15/1327663515.db2.gz OLDAEPAZDVDFOO-XJKSGUPXSA-N 0 3 330.403 3.469 10 10 EGCEHN O=C(NCc1c([O-])cccc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000928710395 1328405839 /nfs/dbraw/zinc/40/58/39/1328405839.db2.gz CWDFGZBSOHQJBN-INIZCTEOSA-N 0 3 342.414 3.060 10 10 EGCEHN O=C(NCc1c([O-])cccc1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000928710395 1328405844 /nfs/dbraw/zinc/40/58/44/1328405844.db2.gz CWDFGZBSOHQJBN-INIZCTEOSA-N 0 3 342.414 3.060 10 10 EGCEHN C[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1cc(Br)c(F)cc1[O-] ZINC000863544860 1329562196 /nfs/dbraw/zinc/56/21/96/1329562196.db2.gz CYXHNCQMCVHWDF-KXUCPTDWSA-N 0 3 331.229 3.085 10 10 EGCEHN C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000863544860 1329562198 /nfs/dbraw/zinc/56/21/98/1329562198.db2.gz CYXHNCQMCVHWDF-KXUCPTDWSA-N 0 3 331.229 3.085 10 10 EGCEHN CC[C@@H]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881622 1376765892 /nfs/dbraw/zinc/76/58/92/1376765892.db2.gz BGOPKDBTGCGSRF-LZQZEXGQSA-N 0 3 331.504 3.298 10 10 EGCEHN C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C[C@@H]1C ZINC001313410053 1384416551 /nfs/dbraw/zinc/41/65/51/1384416551.db2.gz DGSFDVRWTVEOKM-JTDSTZFVSA-N 0 3 346.519 3.043 10 10 EGCEHN C[C@@H]1CCC(C)(C)N1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001687807807 1396498999 /nfs/dbraw/zinc/49/89/99/1396498999.db2.gz VZLPTJNENCZNPQ-QAPCUYQASA-N 0 3 346.519 3.328 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)C3CCC(F)CC3)CC2)cc1C ZINC001699664041 1413048878 /nfs/dbraw/zinc/04/88/78/1413048878.db2.gz UQADSTMKVBMJMK-UHFFFAOYSA-N 0 3 348.462 3.270 10 10 EGCEHN CCCCCCN1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001733233766 1429371076 /nfs/dbraw/zinc/37/10/76/1429371076.db2.gz FNHHDOYDXNOZMT-INIZCTEOSA-N 0 3 345.447 3.233 10 10 EGCEHN Cc1cc(NC(=O)C2CC[NH+](Cc3cc(C)c(C)cc3[O-])CC2)no1 ZINC000054359127 214233459 /nfs/dbraw/zinc/23/34/59/214233459.db2.gz QRDBHJDJIKBUSC-UHFFFAOYSA-N 0 3 343.427 3.156 10 10 EGCEHN Cc1ccc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 ZINC000054179233 132190173 /nfs/dbraw/zinc/19/01/73/132190173.db2.gz MORKYXGHGTYMOH-MRXNPFEDSA-N 0 3 343.496 3.048 10 10 EGCEHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000160077029 455426621 /nfs/dbraw/zinc/42/66/21/455426621.db2.gz SUHRVWBPYMBRTQ-GFCCVEGCSA-N 0 3 334.441 3.246 10 10 EGCEHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000160077029 455426625 /nfs/dbraw/zinc/42/66/25/455426625.db2.gz SUHRVWBPYMBRTQ-GFCCVEGCSA-N 0 3 334.441 3.246 10 10 EGCEHN COc1cc(O)c(CN2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000160077029 455426631 /nfs/dbraw/zinc/42/66/31/455426631.db2.gz SUHRVWBPYMBRTQ-GFCCVEGCSA-N 0 3 334.441 3.246 10 10 EGCEHN CCCOc1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c([O-])c1 ZINC000092662253 454605404 /nfs/dbraw/zinc/60/54/04/454605404.db2.gz RZLZILUVVXYWRW-IBGZPJMESA-N 0 3 349.471 3.341 10 10 EGCEHN Cc1cc([O-])c(C[N@@H+]2CCCN(Cc3cscn3)CC2)cc1C ZINC000093015986 454671650 /nfs/dbraw/zinc/67/16/50/454671650.db2.gz HRJDHFBJFOBVED-UHFFFAOYSA-N 0 3 331.485 3.173 10 10 EGCEHN Cc1cc([O-])c(C[N@H+]2CCCN(Cc3cscn3)CC2)cc1C ZINC000093015986 454671655 /nfs/dbraw/zinc/67/16/55/454671655.db2.gz HRJDHFBJFOBVED-UHFFFAOYSA-N 0 3 331.485 3.173 10 10 EGCEHN Cc1cc(O)c(CN2CCCN(Cc3cscn3)CC2)cc1C ZINC000093015986 454671660 /nfs/dbraw/zinc/67/16/60/454671660.db2.gz HRJDHFBJFOBVED-UHFFFAOYSA-N 0 3 331.485 3.173 10 10 EGCEHN COc1cccc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1O ZINC000093048793 454675093 /nfs/dbraw/zinc/67/50/93/454675093.db2.gz GKRBOZRGBQMIRW-OAHLLOKOSA-N 0 3 327.380 3.467 10 10 EGCEHN C[C@H]1C[C@H]([N@H+](C)Cc2cc(Br)ccc2[O-])CCN1C ZINC000093643631 454725309 /nfs/dbraw/zinc/72/53/09/454725309.db2.gz UIHQMVVLLSKSJG-SMDDNHRTSA-N 0 3 327.266 3.069 10 10 EGCEHN C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Br)ccc2[O-])CCN1C ZINC000093643631 454725312 /nfs/dbraw/zinc/72/53/12/454725312.db2.gz UIHQMVVLLSKSJG-SMDDNHRTSA-N 0 3 327.266 3.069 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000185718502 455604313 /nfs/dbraw/zinc/60/43/13/455604313.db2.gz CLQVMGMRXQLNRW-QWHCGFSZSA-N 0 3 347.846 3.379 10 10 EGCEHN CNC(=O)[C@H]1CCCN1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294882752 455831437 /nfs/dbraw/zinc/83/14/37/455831437.db2.gz QVTPJQAFFZJEMM-GOSISDBHSA-N 0 3 343.496 3.095 10 10 EGCEHN CNC(=O)C1CCC([NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000273361019 456225645 /nfs/dbraw/zinc/22/56/45/456225645.db2.gz AHBIIQGJPZYHTM-CBCUQQMYSA-N 0 3 330.472 3.226 10 10 EGCEHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282256409 456456995 /nfs/dbraw/zinc/45/69/95/456456995.db2.gz BQAUYUUJEFEVEB-AWEZNQCLSA-N 0 3 329.419 3.444 10 10 EGCEHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282256409 456456999 /nfs/dbraw/zinc/45/69/99/456456999.db2.gz BQAUYUUJEFEVEB-AWEZNQCLSA-N 0 3 329.419 3.444 10 10 EGCEHN Cc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000277368902 456797204 /nfs/dbraw/zinc/79/72/04/456797204.db2.gz FPQQKGMTUJXRBU-HOCLYGCPSA-N 0 3 334.460 3.436 10 10 EGCEHN C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(Br)ccc1[O-] ZINC000368102873 458010823 /nfs/dbraw/zinc/01/08/23/458010823.db2.gz QGTNJRGRJSWWQA-GXSJLCMTSA-N 0 3 336.233 3.086 10 10 EGCEHN C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(Br)ccc1[O-] ZINC000368102873 458010830 /nfs/dbraw/zinc/01/08/30/458010830.db2.gz QGTNJRGRJSWWQA-GXSJLCMTSA-N 0 3 336.233 3.086 10 10 EGCEHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c([O-])c1C ZINC000368316222 458025925 /nfs/dbraw/zinc/02/59/25/458025925.db2.gz OHGYDCZZMUNPLW-HZPDHXFCSA-N 0 3 328.460 3.062 10 10 EGCEHN CC1(C)CN(Cc2ccc(N3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000376021820 458166297 /nfs/dbraw/zinc/16/62/97/458166297.db2.gz PVBMTBDLDUUFKW-OAQYLSRUSA-N 0 3 344.499 3.447 10 10 EGCEHN Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cc(F)ccc3[O-])CC2)o1 ZINC000527589027 459666287 /nfs/dbraw/zinc/66/62/87/459666287.db2.gz WQRSRSBLYCUXBL-UHFFFAOYSA-N 0 3 346.402 3.136 10 10 EGCEHN COc1cc(Br)cc(C[NH2+]CC[C@H]2CCCOC2)c1[O-] ZINC000527735794 459718431 /nfs/dbraw/zinc/71/84/31/459718431.db2.gz CNXZXRFVVXRAEE-LLVKDONJSA-N 0 3 344.249 3.070 10 10 EGCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCSC[C@H]2C)c1[O-] ZINC000738280153 576309837 /nfs/dbraw/zinc/30/98/37/576309837.db2.gz ZWMUXQWWFKZWBI-GFCCVEGCSA-N 0 3 331.437 3.269 10 10 EGCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCSC[C@H]2C)c1[O-] ZINC000738280153 576309839 /nfs/dbraw/zinc/30/98/39/576309839.db2.gz ZWMUXQWWFKZWBI-GFCCVEGCSA-N 0 3 331.437 3.269 10 10 EGCEHN C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([O-])cs2)[C@@H]1c1cccs1 ZINC000743567315 576812329 /nfs/dbraw/zinc/81/23/29/576812329.db2.gz OUULBIOEZSYBRY-XHDPSFHLSA-N 0 3 336.482 3.328 10 10 EGCEHN C[N@H+]1CCC[C@@H](CNC(=O)c2cc([O-])cs2)[C@@H]1c1cccs1 ZINC000743567315 576812330 /nfs/dbraw/zinc/81/23/30/576812330.db2.gz OUULBIOEZSYBRY-XHDPSFHLSA-N 0 3 336.482 3.328 10 10 EGCEHN C[N@H+](Cc1cc2c(cc1[O-])CCC2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438936 576828396 /nfs/dbraw/zinc/82/83/96/576828396.db2.gz UUYGHWIZHYEHBX-KRWDZBQOSA-N 0 3 346.471 3.322 10 10 EGCEHN C[N@@H+](Cc1cc2c(cc1[O-])CCC2)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438936 576828397 /nfs/dbraw/zinc/82/83/97/576828397.db2.gz UUYGHWIZHYEHBX-KRWDZBQOSA-N 0 3 346.471 3.322 10 10 EGCEHN COc1cc(Br)cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1[O-] ZINC000093443000 1292920388 /nfs/dbraw/zinc/92/03/88/1292920388.db2.gz GPVBUGTXOBMUPH-QWRGUYRKSA-N 0 3 326.234 3.395 10 10 EGCEHN C[C@H]1[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CCN1C ZINC000925326071 1325124053 /nfs/dbraw/zinc/12/40/53/1325124053.db2.gz UKZVQRXNWRYXRT-YJBOKZPZSA-N 0 3 345.487 3.329 10 10 EGCEHN Cc1cc(N(C)C)ccc1CNC[C@@H](n1cccn1)C(F)(F)F ZINC000862435084 1329486804 /nfs/dbraw/zinc/48/68/04/1329486804.db2.gz MXGYAGDGPKLYPN-OAHLLOKOSA-N 0 3 326.366 3.151 10 10 EGCEHN C[C@@H]1CC[C@@H](CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001134686378 1376658409 /nfs/dbraw/zinc/65/84/09/1376658409.db2.gz IPUPEXTVKIUVNA-GPMSIDNRSA-N 0 3 331.504 3.298 10 10 EGCEHN C[C@@H]1CCC[C@]1(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881805 1376765541 /nfs/dbraw/zinc/76/55/41/1376765541.db2.gz HUYFBLQIYAHXGX-ZTNFWEORSA-N 0 3 331.504 3.298 10 10 EGCEHN C[C@@H]1CCC[C@]1(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881802 1376765677 /nfs/dbraw/zinc/76/56/77/1376765677.db2.gz HUYFBLQIYAHXGX-BPAFIMBUSA-N 0 3 331.504 3.298 10 10 EGCEHN [O-]c1cccc(Br)c1CNC1CC([NH+]2CCCCC2)C1 ZINC001351327342 1391627556 /nfs/dbraw/zinc/62/75/56/1391627556.db2.gz AEXNDKSZODAWKT-UHFFFAOYSA-N 0 3 339.277 3.261 10 10 EGCEHN COc1ccc(CNCc2ccc(CNC(=O)C(F)F)cc2)cc1C ZINC001482028205 1394686798 /nfs/dbraw/zinc/68/67/98/1394686798.db2.gz FPDPKWMLYNNCRC-UHFFFAOYSA-N 0 3 348.393 3.175 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)C(C)(C)C(C)C)cc1C ZINC001732855801 1429011794 /nfs/dbraw/zinc/01/17/94/1429011794.db2.gz MHGJJLJTEYXBGF-BQYQJAHWSA-N 0 3 332.488 3.448 10 10 EGCEHN CC[C@H](C)[C@@H](C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001716697363 1420849793 /nfs/dbraw/zinc/84/97/93/1420849793.db2.gz PUGQDHJNYYJMFR-GOEBONIOSA-N 0 3 332.488 3.424 10 10 EGCEHN Cc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000071825303 215855616 /nfs/dbraw/zinc/85/56/16/215855616.db2.gz FYAPVCJSNAECRG-UHFFFAOYSA-N 0 3 334.460 3.447 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)c2ccccc2)N2CCCC2)cc1 ZINC000005098045 210390490 /nfs/dbraw/zinc/39/04/90/210390490.db2.gz MBUOLUZPGASNSV-FQEVSTJZSA-N 0 3 337.467 3.320 10 10 EGCEHN C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(Br)ccc1[O-] ZINC000368102876 458009824 /nfs/dbraw/zinc/00/98/24/458009824.db2.gz QGTNJRGRJSWWQA-ONGXEEELSA-N 0 3 336.233 3.086 10 10 EGCEHN C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(Br)ccc1[O-] ZINC000368102876 458009834 /nfs/dbraw/zinc/00/98/34/458009834.db2.gz QGTNJRGRJSWWQA-ONGXEEELSA-N 0 3 336.233 3.086 10 10 EGCEHN CCOc1ccc(O)c(CN2CCC(Nc3nccs3)CC2)c1 ZINC000189958927 455261706 /nfs/dbraw/zinc/26/17/06/455261706.db2.gz OETCUFZKBIKQNK-UHFFFAOYSA-N 0 3 333.457 3.324 10 10 EGCEHN CCOCc1cc(CN[C@H]2CCCc3[nH]c(=O)ccc32)ccc1OC ZINC000051188585 454613358 /nfs/dbraw/zinc/61/33/58/454613358.db2.gz OABDQORFYIIALQ-KRWDZBQOSA-N 0 3 342.439 3.087 10 10 EGCEHN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000093690491 454730555 /nfs/dbraw/zinc/73/05/55/454730555.db2.gz NBYFCBVBXHHRIT-OAHLLOKOSA-N 0 3 349.228 3.203 10 10 EGCEHN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000093690491 454730558 /nfs/dbraw/zinc/73/05/58/454730558.db2.gz NBYFCBVBXHHRIT-OAHLLOKOSA-N 0 3 349.228 3.203 10 10 EGCEHN c1ncn([C@H]2CCCN(Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000179464651 455050264 /nfs/dbraw/zinc/05/02/64/455050264.db2.gz RZKSFQDLDKAWII-IBGZPJMESA-N 0 3 325.460 3.106 10 10 EGCEHN C[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(N2CCCCCC2)cc1 ZINC000180497904 455182917 /nfs/dbraw/zinc/18/29/17/455182917.db2.gz BYKRFACCBUYNOG-XLIONFOSSA-N 0 3 331.504 3.048 10 10 EGCEHN C[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(N2CCCCCC2)cc1 ZINC000180497866 455183449 /nfs/dbraw/zinc/18/34/49/455183449.db2.gz BYKRFACCBUYNOG-YLJYHZDGSA-N 0 3 331.504 3.048 10 10 EGCEHN c1cc(N2CCCCC2)ccc1CN1CCS[C@@H]2COCC[C@H]21 ZINC000245728171 455366627 /nfs/dbraw/zinc/36/66/27/455366627.db2.gz DYKCNBKTUZJOLJ-RTBURBONSA-N 0 3 332.513 3.383 10 10 EGCEHN CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000284178497 455647254 /nfs/dbraw/zinc/64/72/54/455647254.db2.gz XLOVZIISVLYUBX-UYAOXDASSA-N 0 3 343.467 3.307 10 10 EGCEHN Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C)c(C)c3[O-])C2)n(C)n1 ZINC000278544434 455839709 /nfs/dbraw/zinc/83/97/09/455839709.db2.gz VFATYWCUYDXHAI-IRXDYDNUSA-N 0 3 342.487 3.371 10 10 EGCEHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282256414 456457268 /nfs/dbraw/zinc/45/72/68/456457268.db2.gz BQAUYUUJEFEVEB-CQSZACIVSA-N 0 3 329.419 3.444 10 10 EGCEHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282256414 456457273 /nfs/dbraw/zinc/45/72/73/456457273.db2.gz BQAUYUUJEFEVEB-CQSZACIVSA-N 0 3 329.419 3.444 10 10 EGCEHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c([O-])c1 ZINC000283729229 456831565 /nfs/dbraw/zinc/83/15/65/456831565.db2.gz BYXZLIHFWLMWQY-TXPKVOOTSA-N 0 3 333.472 3.227 10 10 EGCEHN COc1cccc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c1[O-] ZINC000363953355 457468086 /nfs/dbraw/zinc/46/80/86/457468086.db2.gz QDVXSKPEPHXUKB-HXUWFJFHSA-N 0 3 325.408 3.422 10 10 EGCEHN COc1cccc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c1[O-] ZINC000363953355 457468091 /nfs/dbraw/zinc/46/80/91/457468091.db2.gz QDVXSKPEPHXUKB-HXUWFJFHSA-N 0 3 325.408 3.422 10 10 EGCEHN Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000368358775 458029556 /nfs/dbraw/zinc/02/95/56/458029556.db2.gz YEHRJXCJEKYCBQ-QGZVFWFLSA-N 0 3 330.428 3.405 10 10 EGCEHN Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000368358775 458029564 /nfs/dbraw/zinc/02/95/64/458029564.db2.gz YEHRJXCJEKYCBQ-QGZVFWFLSA-N 0 3 330.428 3.405 10 10 EGCEHN COc1cc([O-])c(C[NH+]2CCC(c3ccc(C)nc3)CC2)cc1OC ZINC000376538100 458332885 /nfs/dbraw/zinc/33/28/85/458332885.db2.gz GUXOSAISABKBAJ-UHFFFAOYSA-N 0 3 342.439 3.492 10 10 EGCEHN COc1cc(O)c(CN2CCC(c3ccc(C)nc3)CC2)cc1OC ZINC000376538100 458332889 /nfs/dbraw/zinc/33/28/89/458332889.db2.gz GUXOSAISABKBAJ-UHFFFAOYSA-N 0 3 342.439 3.492 10 10 EGCEHN COc1cccc(CN2CCCN(c3ccccc3F)CC2)c1O ZINC000377693836 458510912 /nfs/dbraw/zinc/51/09/12/458510912.db2.gz HXFFJGUZWPTKNY-UHFFFAOYSA-N 0 3 330.403 3.252 10 10 EGCEHN CC[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1[O-] ZINC000530215567 458719615 /nfs/dbraw/zinc/71/96/15/458719615.db2.gz HNOQKZMFUFUJQX-HIFRSBDPSA-N 0 3 339.277 3.480 10 10 EGCEHN CC[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1[O-] ZINC000530215571 458719785 /nfs/dbraw/zinc/71/97/85/458719785.db2.gz HNOQKZMFUFUJQX-ZFWWWQNUSA-N 0 3 339.277 3.480 10 10 EGCEHN COc1ccc(CN2CC[C@H]2C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000527965489 459784074 /nfs/dbraw/zinc/78/40/74/459784074.db2.gz MOSPCYOEKLSLHL-PKOBYXMFSA-N 0 3 338.451 3.252 10 10 EGCEHN COc1cc(O)c(CN[C@@H](c2ccccn2)C2CCC2)cc1OC ZINC000529643982 459831953 /nfs/dbraw/zinc/83/19/53/459831953.db2.gz MXFZWLWRGWPEHV-LJQANCHMSA-N 0 3 328.412 3.435 10 10 EGCEHN Cc1cc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccn1 ZINC000858101027 1328682831 /nfs/dbraw/zinc/68/28/31/1328682831.db2.gz XBWZRJDVPUVXEH-HZPDHXFCSA-N 0 3 343.446 3.433 10 10 EGCEHN CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000858503965 1328781886 /nfs/dbraw/zinc/78/18/86/1328781886.db2.gz JNVJPKWYZXLROD-PKPZWWHKSA-N 0 3 344.249 3.381 10 10 EGCEHN COc1ccccc1N1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000915789560 1319535271 /nfs/dbraw/zinc/53/52/71/1319535271.db2.gz SXGBPNWEYGFQCW-UHFFFAOYSA-N 0 3 338.451 3.212 10 10 EGCEHN CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000926910763 1327771921 /nfs/dbraw/zinc/77/19/21/1327771921.db2.gz WAAKJKAECWIJDB-OAHLLOKOSA-N 0 3 347.480 3.388 10 10 EGCEHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)O2)c2c1c(F)ccc2[O-] ZINC000927013016 1327819794 /nfs/dbraw/zinc/81/97/94/1327819794.db2.gz JCWPEZQBRWXDRS-IPYPFGDCSA-N 0 3 335.419 3.397 10 10 EGCEHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CCOCC3)O2)c2c1c(F)ccc2[O-] ZINC000927013020 1327820515 /nfs/dbraw/zinc/82/05/15/1327820515.db2.gz JCWPEZQBRWXDRS-UMVBOHGHSA-N 0 3 335.419 3.397 10 10 EGCEHN CC(C)[C@]1(C)C[C@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001229750019 1375885740 /nfs/dbraw/zinc/88/57/40/1375885740.db2.gz BVRGBAXCJNBWGE-NSHGMRRFSA-N 0 3 346.519 3.089 10 10 EGCEHN Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2[O-])cccc1[N+](=O)[O-] ZINC001308009926 1384074207 /nfs/dbraw/zinc/07/42/07/1384074207.db2.gz HMOPVLOPWKGDPH-OLZOCXBDSA-N 0 3 343.383 3.287 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)N(C)C[C@H]2CC2(C)C)N(C)C)cc1 ZINC001479532829 1392272594 /nfs/dbraw/zinc/27/25/94/1392272594.db2.gz DIUPIFGEAOKXJK-AEFFLSMTSA-N 0 3 346.519 3.043 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)[C@H]2CC23CCCC3)cc1C ZINC001715889460 1420384440 /nfs/dbraw/zinc/38/44/40/1420384440.db2.gz IBUCWTGOUQZWMH-OOFWQKGWSA-N 0 3 342.483 3.346 10 10 EGCEHN CCN(CC)c1ccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000067504311 453936671 /nfs/dbraw/zinc/93/66/71/453936671.db2.gz JWPSTYSCBJYQTR-SFHVURJKSA-N 0 3 325.456 3.388 10 10 EGCEHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000090410591 454301775 /nfs/dbraw/zinc/30/17/75/454301775.db2.gz DFSJFHHZRGFNKI-FUHWJXTLSA-N 0 3 344.503 3.131 10 10 EGCEHN CCN(CC)c1ccc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1F ZINC000092105073 454525364 /nfs/dbraw/zinc/52/53/64/454525364.db2.gz XTPJXMKWHSJHPO-AEFFLSMTSA-N 0 3 347.478 3.163 10 10 EGCEHN CN(C)c1ccc(CN2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000092644603 454597602 /nfs/dbraw/zinc/59/76/02/454597602.db2.gz GEQOCMRQHPNIMP-UHFFFAOYSA-N 0 3 343.515 3.414 10 10 EGCEHN CC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1[O-] ZINC000155759172 455041414 /nfs/dbraw/zinc/04/14/14/455041414.db2.gz NLWWDDRJRZGNOS-ZWKOTPCHSA-N 0 3 326.440 3.132 10 10 EGCEHN CC[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1[O-] ZINC000155759293 455041746 /nfs/dbraw/zinc/04/17/46/455041746.db2.gz NLWWDDRJRZGNOS-QZTJIDSGSA-N 0 3 326.440 3.132 10 10 EGCEHN Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c([O-])c1 ZINC000185408035 455555645 /nfs/dbraw/zinc/55/56/45/455555645.db2.gz LXBMFRMBWVNAAQ-QAPCUYQASA-N 0 3 326.440 3.051 10 10 EGCEHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccc1[O-] ZINC000248384281 455709695 /nfs/dbraw/zinc/70/96/95/455709695.db2.gz DHPKXFIATQNYQP-JTDSTZFVSA-N 0 3 325.456 3.348 10 10 EGCEHN Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2)n(C)n1 ZINC000278376481 455834023 /nfs/dbraw/zinc/83/40/23/455834023.db2.gz DWLMGRWSSIAABT-JKSUJKDBSA-N 0 3 328.460 3.062 10 10 EGCEHN CC[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(C)cc1[O-] ZINC000280274461 455933512 /nfs/dbraw/zinc/93/35/12/455933512.db2.gz YCGJFKQZLICUDB-GOSISDBHSA-N 0 3 341.455 3.173 10 10 EGCEHN c1cc(N2CCOCC2)ccc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000368217659 458020280 /nfs/dbraw/zinc/02/02/80/458020280.db2.gz ZQJDWSWSLKEGCL-VQTJNVASSA-N 0 3 342.483 3.057 10 10 EGCEHN Cc1cccc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1[O-] ZINC000377717247 458512653 /nfs/dbraw/zinc/51/26/53/458512653.db2.gz NTRHZXDWSZDBQA-UHFFFAOYSA-N 0 3 347.846 3.077 10 10 EGCEHN COc1ccc(O)c([C@H](C)NC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000730825497 575025380 /nfs/dbraw/zinc/02/53/80/575025380.db2.gz DYRYMEWGJAKMMN-KKUMJFAQSA-N 0 3 349.475 3.024 10 10 EGCEHN CCCN(CCC)c1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1 ZINC000742392568 576778571 /nfs/dbraw/zinc/77/85/71/576778571.db2.gz QVQVALAFDWTTBT-ILZDJORESA-N 0 3 343.515 3.412 10 10 EGCEHN C[NH2+]CC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708097953 1298234334 /nfs/dbraw/zinc/23/43/34/1298234334.db2.gz AZMSNPPNAGPXPC-UHFFFAOYSA-N 0 3 347.684 3.240 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+](C)C[C@H]2CCCCO2)c1[O-] ZINC000124569220 1293478919 /nfs/dbraw/zinc/47/89/19/1293478919.db2.gz CSUMMXGOQGOOGN-CQSZACIVSA-N 0 3 328.250 3.464 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+](C)C[C@H]2CCCCO2)c1[O-] ZINC000124569220 1293478921 /nfs/dbraw/zinc/47/89/21/1293478921.db2.gz CSUMMXGOQGOOGN-CQSZACIVSA-N 0 3 328.250 3.464 10 10 EGCEHN CCCO[C@@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000701673696 1298189446 /nfs/dbraw/zinc/18/94/46/1298189446.db2.gz PQTLIDOAKYUUNJ-CQSZACIVSA-N 0 3 328.250 3.464 10 10 EGCEHN CN(C)c1ccc(CN(Cc2ccc3[nH]c(=O)[nH]c3c2)C2CC2)cc1 ZINC000893929158 1306133893 /nfs/dbraw/zinc/13/38/93/1306133893.db2.gz ODZAWZAWFXLJIQ-UHFFFAOYSA-N 0 3 336.439 3.499 10 10 EGCEHN COC(=O)c1c(CNCCC(C)(F)F)c2cc(F)ccc2n1C ZINC000894868995 1309106779 /nfs/dbraw/zinc/10/67/79/1309106779.db2.gz KVBLYRGWDJDECJ-UHFFFAOYSA-N 0 3 328.334 3.239 10 10 EGCEHN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](N2CCCCC2)C1 ZINC000896260456 1309774552 /nfs/dbraw/zinc/77/45/52/1309774552.db2.gz RAQNLFQIXWVYRT-CYBMUJFWSA-N 0 3 346.452 3.013 10 10 EGCEHN COc1cccc([C@@H](C)NC[C@@H](n2cccn2)C(F)(F)F)c1O ZINC000858448833 1328765689 /nfs/dbraw/zinc/76/56/89/1328765689.db2.gz GVGSDOBUAUFNNM-ZWNOBZJWSA-N 0 3 329.322 3.052 10 10 EGCEHN [O-]c1ccccc1C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000862528005 1329492367 /nfs/dbraw/zinc/49/23/67/1329492367.db2.gz UQVJNASBLSTINL-UHFFFAOYSA-N 0 3 327.428 3.497 10 10 EGCEHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CO2)CCOCC3)c2c1c(F)ccc2[O-] ZINC000866530756 1330122219 /nfs/dbraw/zinc/12/22/19/1330122219.db2.gz CIMXCQTVYUYICX-NFAWXSAZSA-N 0 3 335.419 3.255 10 10 EGCEHN C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccccc1[O-] ZINC001197003890 1368729460 /nfs/dbraw/zinc/72/94/60/1368729460.db2.gz LVOOUHFAFXUXPO-DYVFJYSZSA-N 0 3 328.387 3.378 10 10 EGCEHN Cc1cc(CNC(=O)[C@H]2CCCN2C2CC2)c(C)n1-c1ccccc1 ZINC001151154475 1379668534 /nfs/dbraw/zinc/66/85/34/1379668534.db2.gz WEOOEJCIWMULPZ-HXUWFJFHSA-N 0 3 337.467 3.337 10 10 EGCEHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC001301112817 1383696919 /nfs/dbraw/zinc/69/69/19/1383696919.db2.gz VJTSHGMJBVEJGL-LJQANCHMSA-N 0 3 339.483 3.473 10 10 EGCEHN CC(C)n1cccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001180179845 1386722619 /nfs/dbraw/zinc/72/26/19/1386722619.db2.gz SWZHPSHPHRCKQZ-IBGZPJMESA-N 0 3 342.487 3.168 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@]34C[C@H]3CCCC4)CC2)cc1C ZINC001716692594 1420845405 /nfs/dbraw/zinc/84/54/05/1420845405.db2.gz ACTVTBIDYLELSQ-DYESRHJHSA-N 0 3 342.483 3.322 10 10 EGCEHN COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2ccccc2[O-])cc1C ZINC001731722125 1427794410 /nfs/dbraw/zinc/79/44/10/1427794410.db2.gz AIFPHYVYFNKBHR-OAHLLOKOSA-N 0 3 342.439 3.007 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000180728218 455234847 /nfs/dbraw/zinc/23/48/47/455234847.db2.gz QQROPMZVNSGDAB-DYVFJYSZSA-N 0 3 349.862 3.033 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000180728218 455234852 /nfs/dbraw/zinc/23/48/52/455234852.db2.gz QQROPMZVNSGDAB-DYVFJYSZSA-N 0 3 349.862 3.033 10 10 EGCEHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1)OCO2 ZINC000093868384 454742888 /nfs/dbraw/zinc/74/28/88/454742888.db2.gz XZQAUMQJXCVJLT-IRXDYDNUSA-N 0 3 341.407 3.209 10 10 EGCEHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1)OCO2 ZINC000093868384 454742889 /nfs/dbraw/zinc/74/28/89/454742889.db2.gz XZQAUMQJXCVJLT-IRXDYDNUSA-N 0 3 341.407 3.209 10 10 EGCEHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1)OCO2 ZINC000093868385 454742916 /nfs/dbraw/zinc/74/29/16/454742916.db2.gz XZQAUMQJXCVJLT-IAGOWNOFSA-N 0 3 341.407 3.209 10 10 EGCEHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1)OCO2 ZINC000093868385 454742925 /nfs/dbraw/zinc/74/29/25/454742925.db2.gz XZQAUMQJXCVJLT-IAGOWNOFSA-N 0 3 341.407 3.209 10 10 EGCEHN C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185115672 455504210 /nfs/dbraw/zinc/50/42/10/455504210.db2.gz RPCPOJJVMMZYSG-VXGBXAGGSA-N 0 3 347.286 3.196 10 10 EGCEHN CCCN(CCC)c1ccc(CN2CCCN(C(C)=O)CC2)cc1 ZINC000179815463 455084177 /nfs/dbraw/zinc/08/41/77/455084177.db2.gz BBYCUQLLVVBZAU-UHFFFAOYSA-N 0 3 331.504 3.367 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000179931290 455101028 /nfs/dbraw/zinc/10/10/28/455101028.db2.gz AXJSUSSQJTUMMJ-AWEZNQCLSA-N 0 3 338.879 3.338 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000179931290 455101030 /nfs/dbraw/zinc/10/10/30/455101030.db2.gz AXJSUSSQJTUMMJ-AWEZNQCLSA-N 0 3 338.879 3.338 10 10 EGCEHN Cc1csc([C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000156540264 455130038 /nfs/dbraw/zinc/13/00/38/455130038.db2.gz CZIIORCPFCOUHE-LBPRGKRZSA-N 0 3 332.425 3.265 10 10 EGCEHN Cc1csc([C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000156540264 455130041 /nfs/dbraw/zinc/13/00/41/455130041.db2.gz CZIIORCPFCOUHE-LBPRGKRZSA-N 0 3 332.425 3.265 10 10 EGCEHN C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000185573637 455580534 /nfs/dbraw/zinc/58/05/34/455580534.db2.gz RXXUINQOJJGOGO-MRXNPFEDSA-N 0 3 349.494 3.132 10 10 EGCEHN Cc1cc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1N(C)C ZINC000271419846 455629735 /nfs/dbraw/zinc/62/97/35/455629735.db2.gz AAQSCILYJHGXCI-INIZCTEOSA-N 0 3 335.455 3.493 10 10 EGCEHN C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000284290374 455662962 /nfs/dbraw/zinc/66/29/62/455662962.db2.gz KFRIJFLQVVGFLJ-IYJAJMOOSA-N 0 3 335.488 3.080 10 10 EGCEHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000269323710 455835387 /nfs/dbraw/zinc/83/53/87/455835387.db2.gz JZFLVUYZEYPMJZ-OAHLLOKOSA-N 0 3 337.485 3.325 10 10 EGCEHN CN(Cc1cccs1)c1ccc(CN[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000295655519 455856290 /nfs/dbraw/zinc/85/62/90/455856290.db2.gz JCSIWMXAHIPOQZ-MRXNPFEDSA-N 0 3 343.496 3.095 10 10 EGCEHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC1CCN(C)CC1 ZINC000273318599 456224135 /nfs/dbraw/zinc/22/41/35/456224135.db2.gz YTUFLNFJOQAIKB-UHFFFAOYSA-N 0 3 343.515 3.367 10 10 EGCEHN c1cc(N2CCOCC2)ccc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000368217662 458019661 /nfs/dbraw/zinc/01/96/61/458019661.db2.gz ZQJDWSWSLKEGCL-WOJBJXKFSA-N 0 3 342.483 3.057 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c([O-])c1C ZINC000368316221 458025433 /nfs/dbraw/zinc/02/54/33/458025433.db2.gz OHGYDCZZMUNPLW-HOTGVXAUSA-N 0 3 328.460 3.062 10 10 EGCEHN CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1[O-] ZINC000376003225 458158952 /nfs/dbraw/zinc/15/89/52/458158952.db2.gz JWQKDSFCYIIBBE-WBVHZDCISA-N 0 3 346.471 3.062 10 10 EGCEHN COc1ccc(CN2CC[C@@H]2C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000527971449 459785730 /nfs/dbraw/zinc/78/57/30/459785730.db2.gz SIDVHNSKWWIPAZ-NVXWUHKLSA-N 0 3 326.440 3.326 10 10 EGCEHN CC(C)(C)[C@H]1CN(C(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000662545337 461291109 /nfs/dbraw/zinc/29/11/09/461291109.db2.gz OVTSATHNPCJGLE-BBRMVZONSA-N 0 3 338.455 3.277 10 10 EGCEHN CCCN(CCC)c1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1 ZINC000742392567 576778605 /nfs/dbraw/zinc/77/86/05/576778605.db2.gz QVQVALAFDWTTBT-HQRMLTQVSA-N 0 3 343.515 3.412 10 10 EGCEHN C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Br)cc1[O-] ZINC000925779995 1325298319 /nfs/dbraw/zinc/29/83/19/1325298319.db2.gz DARFVROAOYSERX-ZJUUUORDSA-N 0 3 349.219 3.050 10 10 EGCEHN COc1cc(C)cc(CN[C@@H](c2ccncc2)C2(CO)CCC2)c1O ZINC000895358945 1309299354 /nfs/dbraw/zinc/29/93/54/1309299354.db2.gz IFACSFFOALJKLX-IBGZPJMESA-N 0 3 342.439 3.098 10 10 EGCEHN Cc1cc(C(=O)N[C@@H]2CCCN(C)C2)c(C)n1-c1ccccc1C ZINC000918709197 1321981152 /nfs/dbraw/zinc/98/11/52/1321981152.db2.gz XJHOKDXHPJWAJH-QGZVFWFLSA-N 0 3 325.456 3.227 10 10 EGCEHN O=C(NCc1c([O-])cccc1F)NC1CCC([NH+]2CCCCC2)CC1 ZINC000921362511 1322301073 /nfs/dbraw/zinc/30/10/73/1322301073.db2.gz QNVGMMHPNODZGR-UHFFFAOYSA-N 0 3 349.450 3.128 10 10 EGCEHN COc1ccc(N2CC[C@@H](NCc3cc(C)cnc3Cl)C2)cc1 ZINC000922237410 1322485505 /nfs/dbraw/zinc/48/55/05/1322485505.db2.gz JXAGAUJTMFYVLZ-OAHLLOKOSA-N 0 3 331.847 3.421 10 10 EGCEHN CC1([NH+]2CCCC2)CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000925060861 1323260773 /nfs/dbraw/zinc/26/07/73/1323260773.db2.gz PENCSMMUIIMSLQ-UHFFFAOYSA-N 0 3 349.450 3.128 10 10 EGCEHN CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000862274515 1329472839 /nfs/dbraw/zinc/47/28/39/1329472839.db2.gz QAGOZFZJKPIXJI-ZDUSSCGKSA-N 0 3 342.386 3.127 10 10 EGCEHN COc1cncc(CNCc2ccc(N3CCSCC3)cc2)c1C ZINC000865417524 1329694366 /nfs/dbraw/zinc/69/43/66/1329694366.db2.gz NZAZWQOLUIUXDY-UHFFFAOYSA-N 0 3 343.496 3.242 10 10 EGCEHN C[C@H]1C[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000866437414 1330112556 /nfs/dbraw/zinc/11/25/56/1330112556.db2.gz GQXAXDWUCMYYTR-WCQYABFASA-N 0 3 339.407 3.028 10 10 EGCEHN C[C@@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000868449149 1330281810 /nfs/dbraw/zinc/28/18/10/1330281810.db2.gz UGGLLCPNMPFACG-LSBZLQRGSA-N 0 3 339.439 3.198 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)C23CCC(CC2)CC3)N(C)C)cc1 ZINC001134686593 1376658002 /nfs/dbraw/zinc/65/80/02/1376658002.db2.gz PHTAKNWLIZWEJP-IPFXWSOASA-N 0 3 343.515 3.442 10 10 EGCEHN CCCN(CC(C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001313409227 1384416564 /nfs/dbraw/zinc/41/65/64/1384416564.db2.gz ALPPEPWQHISQMB-LJQANCHMSA-N 0 3 348.535 3.433 10 10 EGCEHN CCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H](C)C(C)C ZINC001313420776 1384417295 /nfs/dbraw/zinc/41/72/95/1384417295.db2.gz YVHBHKVWNAUOJK-VQIMIIECSA-N 0 3 348.535 3.431 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)C(C)(C)C(C)C)cc1C ZINC001732855802 1429011798 /nfs/dbraw/zinc/01/17/98/1429011798.db2.gz MHGJJLJTEYXBGF-FPLPWBNLSA-N 0 3 332.488 3.448 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)c3ccsc3)CC2)cc1C ZINC001716674463 1420831158 /nfs/dbraw/zinc/83/11/58/1420831158.db2.gz AWYJDMRPVSIBCU-UHFFFAOYSA-N 0 3 330.453 3.117 10 10 EGCEHN [O-]c1c(O)cc2c(c1Br)CC[NH2+]C[C@H]2c1ccccc1 ZINC000013447136 453464951 /nfs/dbraw/zinc/46/49/51/453464951.db2.gz XKTGLDSNABUNGD-ZDUSSCGKSA-N 0 3 334.213 3.138 10 10 EGCEHN CCOc1cccc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000122765423 454567140 /nfs/dbraw/zinc/56/71/40/454567140.db2.gz NLTHVEPCTJQPJH-MRXNPFEDSA-N 0 3 329.444 3.478 10 10 EGCEHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000122765423 454567147 /nfs/dbraw/zinc/56/71/47/454567147.db2.gz NLTHVEPCTJQPJH-MRXNPFEDSA-N 0 3 329.444 3.478 10 10 EGCEHN CCOc1cccc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000122765423 454567152 /nfs/dbraw/zinc/56/71/52/454567152.db2.gz NLTHVEPCTJQPJH-MRXNPFEDSA-N 0 3 329.444 3.478 10 10 EGCEHN c1ncn(C2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)n1 ZINC000092647625 454599750 /nfs/dbraw/zinc/59/97/50/454599750.db2.gz FDENRZXFSYXUCT-UHFFFAOYSA-N 0 3 325.460 3.106 10 10 EGCEHN C[C@H](Cn1cncn1)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000164178726 454876564 /nfs/dbraw/zinc/87/65/64/454876564.db2.gz QKNSRFSRGHYRPL-IAGOWNOFSA-N 0 3 327.476 3.398 10 10 EGCEHN Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c([O-])c1O ZINC000182350832 455494627 /nfs/dbraw/zinc/49/46/27/455494627.db2.gz BKCHDQNGGYFDSE-MRXNPFEDSA-N 0 3 346.471 3.134 10 10 EGCEHN CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2[O-])c2ccc(F)cc2C1 ZINC000185355935 455547315 /nfs/dbraw/zinc/54/73/15/455547315.db2.gz RCAILCFKXYEJSC-SFHVURJKSA-N 0 3 328.387 3.114 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3OC)C2)c1 ZINC000185712093 455603423 /nfs/dbraw/zinc/60/34/23/455603423.db2.gz JKEROYGRALJLNP-CABCVRRESA-N 0 3 342.439 3.339 10 10 EGCEHN Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2[O-])n[nH]1 ZINC000186130425 455699593 /nfs/dbraw/zinc/69/95/93/455699593.db2.gz OYIXOTVWKQHLHG-ONGXEEELSA-N 0 3 338.249 3.468 10 10 EGCEHN COc1cccc(C[NH2+]CCc2cccc(C(F)(F)F)n2)c1[O-] ZINC000292940641 455767828 /nfs/dbraw/zinc/76/78/28/455767828.db2.gz JULPBFNWHXDTMW-UHFFFAOYSA-N 0 3 326.318 3.147 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1[O-] ZINC000293521530 455790457 /nfs/dbraw/zinc/79/04/57/455790457.db2.gz AZGQHMROFMVXMF-UHFFFAOYSA-N 0 3 346.858 3.480 10 10 EGCEHN CN(Cc1cccs1)c1ccc(CN[C@H]2CCC(=O)N(C)C2)cc1 ZINC000295655517 455856552 /nfs/dbraw/zinc/85/65/52/455856552.db2.gz JCSIWMXAHIPOQZ-INIZCTEOSA-N 0 3 343.496 3.095 10 10 EGCEHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)CC2 ZINC000296234193 455887706 /nfs/dbraw/zinc/88/77/06/455887706.db2.gz APDUOQYHHDZLMO-GJZGRUSLSA-N 0 3 348.240 3.465 10 10 EGCEHN CC1(C)C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000280194564 455913368 /nfs/dbraw/zinc/91/33/68/455913368.db2.gz HPLPFIIYSWEFBD-HXUWFJFHSA-N 0 3 327.424 3.315 10 10 EGCEHN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000280194564 455913371 /nfs/dbraw/zinc/91/33/71/455913371.db2.gz HPLPFIIYSWEFBD-HXUWFJFHSA-N 0 3 327.424 3.315 10 10 EGCEHN CC(=O)NC1CCC([NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000273579413 456239568 /nfs/dbraw/zinc/23/95/68/456239568.db2.gz MGOZQITYTYJDSI-TZYSRNFLSA-N 0 3 330.472 3.369 10 10 EGCEHN Cc1cc(N2CCC([NH2+]Cc3cc(Cl)cc(C)c3[O-])CC2)n[nH]1 ZINC000276133064 456395591 /nfs/dbraw/zinc/39/55/91/456395591.db2.gz ZKUQSGBCNITGGM-UHFFFAOYSA-N 0 3 334.851 3.144 10 10 EGCEHN CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2ccccc2[O-])C1 ZINC000291076997 456520394 /nfs/dbraw/zinc/52/03/94/456520394.db2.gz TZAKOFJVAYYSRI-IBGZPJMESA-N 0 3 332.444 3.368 10 10 EGCEHN CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2ccccc2[O-])C1 ZINC000291076997 456520398 /nfs/dbraw/zinc/52/03/98/456520398.db2.gz TZAKOFJVAYYSRI-IBGZPJMESA-N 0 3 332.444 3.368 10 10 EGCEHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c([O-])c1 ZINC000283729226 456831596 /nfs/dbraw/zinc/83/15/96/456831596.db2.gz BYXZLIHFWLMWQY-FCEWJHQRSA-N 0 3 333.472 3.227 10 10 EGCEHN CCOc1ccc(O)c(CN2CC[C@H](OCc3c(C)noc3C)C2)c1 ZINC000370728563 457708824 /nfs/dbraw/zinc/70/88/24/457708824.db2.gz BWGHPLGPCLWJJK-KRWDZBQOSA-N 0 3 346.427 3.187 10 10 EGCEHN C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(Br)ccc1[O-] ZINC000368102874 458010943 /nfs/dbraw/zinc/01/09/43/458010943.db2.gz QGTNJRGRJSWWQA-KOLCDFICSA-N 0 3 336.233 3.086 10 10 EGCEHN C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(Br)ccc1[O-] ZINC000368102874 458010946 /nfs/dbraw/zinc/01/09/46/458010946.db2.gz QGTNJRGRJSWWQA-KOLCDFICSA-N 0 3 336.233 3.086 10 10 EGCEHN C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccccc1[O-] ZINC000376058084 458180463 /nfs/dbraw/zinc/18/04/63/458180463.db2.gz OQFVRFLKTINYAV-GFCCVEGCSA-N 0 3 347.846 3.329 10 10 EGCEHN CC[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000373485440 458506730 /nfs/dbraw/zinc/50/67/30/458506730.db2.gz ZRNIJZFKBNOMRG-JXFKEZNVSA-N 0 3 327.424 3.315 10 10 EGCEHN CC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000373485440 458506736 /nfs/dbraw/zinc/50/67/36/458506736.db2.gz ZRNIJZFKBNOMRG-JXFKEZNVSA-N 0 3 327.424 3.315 10 10 EGCEHN C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1[O-] ZINC000530215194 458719465 /nfs/dbraw/zinc/71/94/65/458719465.db2.gz FAXLNEYKWWSCPG-IINYFYTJSA-N 0 3 325.250 3.090 10 10 EGCEHN CCOc1ccc(C[NH2+]C[C@]2(C)COc3ccccc3O2)c([O-])c1 ZINC000527732813 459717479 /nfs/dbraw/zinc/71/74/79/459717479.db2.gz CNFZXAFMXLJRDU-LJQANCHMSA-N 0 3 329.396 3.111 10 10 EGCEHN COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000527971446 459786133 /nfs/dbraw/zinc/78/61/33/459786133.db2.gz SIDVHNSKWWIPAZ-DOTOQJQBSA-N 0 3 326.440 3.326 10 10 EGCEHN COC(=O)CC[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])CCC2 ZINC000729462883 574862729 /nfs/dbraw/zinc/86/27/29/574862729.db2.gz ANXGRIYURHTILS-UHFFFAOYSA-N 0 3 339.435 3.446 10 10 EGCEHN COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])CCC2 ZINC000729462883 574862730 /nfs/dbraw/zinc/86/27/30/574862730.db2.gz ANXGRIYURHTILS-UHFFFAOYSA-N 0 3 339.435 3.446 10 10 EGCEHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2(C)OCCCO2)c1[O-] ZINC000754125294 575008557 /nfs/dbraw/zinc/00/85/57/575008557.db2.gz YACLJKHCWHUZAR-LLVKDONJSA-N 0 3 344.249 3.267 10 10 EGCEHN CCc1nc(NC(=O)CN[C@@H](C)c2cc(OC)ccc2O)sc1C ZINC000182439767 1295046697 /nfs/dbraw/zinc/04/66/97/1295046697.db2.gz CCDCEEONCSBSLB-JTQLQIEISA-N 0 3 349.456 3.017 10 10 EGCEHN CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(C)cc1[O-] ZINC000872118490 1296744615 /nfs/dbraw/zinc/74/46/15/1296744615.db2.gz AOSBEEFDAKNIMF-UCMJJCQDSA-N 0 3 337.485 3.097 10 10 EGCEHN CCCN(Cc1c2c(nn1C)CCSC2)Cc1ccccc1O ZINC000893984507 1306163720 /nfs/dbraw/zinc/16/37/20/1306163720.db2.gz PMULXEWPQMUXOL-UHFFFAOYSA-N 0 3 331.485 3.327 10 10 EGCEHN CCOC(=O)c1sc([C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)nc1C ZINC000895585738 1309415343 /nfs/dbraw/zinc/41/53/43/1309415343.db2.gz YZTZHJJRYJEKFB-CQSZACIVSA-N 0 3 346.452 3.323 10 10 EGCEHN CCOC(=O)c1sc([C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)nc1C ZINC000895585738 1309415347 /nfs/dbraw/zinc/41/53/47/1309415347.db2.gz YZTZHJJRYJEKFB-CQSZACIVSA-N 0 3 346.452 3.323 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000895849463 1309558959 /nfs/dbraw/zinc/55/89/59/1309558959.db2.gz WXPJEPUHKNAZPP-WFASDCNBSA-N 0 3 340.261 3.464 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000895849463 1309558967 /nfs/dbraw/zinc/55/89/67/1309558967.db2.gz WXPJEPUHKNAZPP-WFASDCNBSA-N 0 3 340.261 3.464 10 10 EGCEHN CCO[C@@H]1C[C@@H](NCc2cc(F)c(N(C)C)cc2F)[C@@H]1SC ZINC000858182159 1328705383 /nfs/dbraw/zinc/70/53/83/1328705383.db2.gz IWDCHARIFRDXGS-BMFZPTHFSA-N 0 3 330.444 3.029 10 10 EGCEHN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@](C)(O)c1ccccc1 ZINC000858183564 1328705815 /nfs/dbraw/zinc/70/58/15/1328705815.db2.gz ATEKMHBHUQGHBA-YJYMSZOUSA-N 0 3 334.410 3.417 10 10 EGCEHN C[C@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1cc(F)ccc1[O-] ZINC000858483679 1328775476 /nfs/dbraw/zinc/77/54/76/1328775476.db2.gz WNJAFQYYGHVMSZ-LBPRGKRZSA-N 0 3 347.377 3.139 10 10 EGCEHN C[C@@H](c1ccccc1)[N@H+](CCc1cn(C)nn1)Cc1ccccc1[O-] ZINC000859219500 1328949777 /nfs/dbraw/zinc/94/97/77/1328949777.db2.gz ZWSCUTCXBDOVJA-INIZCTEOSA-N 0 3 336.439 3.327 10 10 EGCEHN C[C@@H](c1ccccc1)[N@@H+](CCc1cn(C)nn1)Cc1ccccc1[O-] ZINC000859219500 1328949779 /nfs/dbraw/zinc/94/97/79/1328949779.db2.gz ZWSCUTCXBDOVJA-INIZCTEOSA-N 0 3 336.439 3.327 10 10 EGCEHN COc1ccc(N2CC[C@H](N[C@@H](C)c3cc(OC)ccn3)C2)cc1 ZINC000926680232 1327663045 /nfs/dbraw/zinc/66/30/45/1327663045.db2.gz LBCZKFMDFQILGI-GJZGRUSLSA-N 0 3 327.428 3.028 10 10 EGCEHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)c1ccccc1O ZINC000868449147 1330281889 /nfs/dbraw/zinc/28/18/89/1330281889.db2.gz UGGLLCPNMPFACG-FNHZYXHNSA-N 0 3 339.439 3.198 10 10 EGCEHN COC(=O)c1cccc(CN(C)CCN(C)c2ccc(OC)cc2)c1 ZINC001307897043 1384053364 /nfs/dbraw/zinc/05/33/64/1384053364.db2.gz JRQPOFVYOGGIAU-UHFFFAOYSA-N 0 3 342.439 3.050 10 10 EGCEHN Cc1cc(CN(C)[C@H]2CCCCN(C)C2=O)ccc1N1CCCCC1 ZINC001307981760 1384067786 /nfs/dbraw/zinc/06/77/86/1384067786.db2.gz GAWJXQZGTQZBLG-FQEVSTJZSA-N 0 3 343.515 3.428 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)/C=C(\C)C3CC3)CC2)cc1C ZINC001733236767 1429375854 /nfs/dbraw/zinc/37/58/54/1429375854.db2.gz FSSOVFHFLDQXPE-SDNWHVSQSA-N 0 3 328.456 3.098 10 10 EGCEHN COc1cc(Cl)cc(CNC[C@H](n2cccn2)C(F)(F)F)c1O ZINC000529638057 313375677 /nfs/dbraw/zinc/37/56/77/313375677.db2.gz XIXIKLPZAWJAJA-LBPRGKRZSA-N 0 3 349.740 3.144 10 10 EGCEHN Cc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289593683 456132170 /nfs/dbraw/zinc/13/21/70/456132170.db2.gz KMVDSYWRNLIWGN-AAEUAGOBSA-N 0 3 337.769 3.347 10 10 EGCEHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1 ZINC000091686408 454457789 /nfs/dbraw/zinc/45/77/89/454457789.db2.gz QSORAKJYUGOKCT-INIZCTEOSA-N 0 3 339.439 3.255 10 10 EGCEHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1 ZINC000091686408 454457794 /nfs/dbraw/zinc/45/77/94/454457794.db2.gz QSORAKJYUGOKCT-INIZCTEOSA-N 0 3 339.439 3.255 10 10 EGCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000091958900 454495247 /nfs/dbraw/zinc/49/52/47/454495247.db2.gz BITJDOCURUIKOG-QAPCUYQASA-N 0 3 331.412 3.472 10 10 EGCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000091958900 454495250 /nfs/dbraw/zinc/49/52/50/454495250.db2.gz BITJDOCURUIKOG-QAPCUYQASA-N 0 3 331.412 3.472 10 10 EGCEHN CCOc1cccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1[O-] ZINC000092812618 454638549 /nfs/dbraw/zinc/63/85/49/454638549.db2.gz GOEYYWVYBLTSJZ-OAHLLOKOSA-N 0 3 327.428 3.120 10 10 EGCEHN CCOc1cccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1[O-] ZINC000092812618 454638557 /nfs/dbraw/zinc/63/85/57/454638557.db2.gz GOEYYWVYBLTSJZ-OAHLLOKOSA-N 0 3 327.428 3.120 10 10 EGCEHN Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(C)c(C)cc3[O-])C2)n1 ZINC000152713152 454716306 /nfs/dbraw/zinc/71/63/06/454716306.db2.gz MUDYRZAEHZIGIA-KRWDZBQOSA-N 0 3 328.460 3.130 10 10 EGCEHN Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3[O-])C2)n1 ZINC000152713152 454716312 /nfs/dbraw/zinc/71/63/12/454716312.db2.gz MUDYRZAEHZIGIA-KRWDZBQOSA-N 0 3 328.460 3.130 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](Cc2ccccc2)CN(C)C)c1 ZINC000185091634 455499594 /nfs/dbraw/zinc/49/95/94/455499594.db2.gz KULYXGMYJHOHQE-DOTOQJQBSA-N 0 3 328.456 3.224 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](Cc2ccccc2)CN(C)C)c1 ZINC000185091597 455499668 /nfs/dbraw/zinc/49/96/68/455499668.db2.gz KULYXGMYJHOHQE-RDJZCZTQSA-N 0 3 328.456 3.224 10 10 EGCEHN Cc1ccc(N2CCC[N@H+](Cc3cc(Cl)cc(C)c3[O-])CC2)nn1 ZINC000180078698 455128013 /nfs/dbraw/zinc/12/80/13/455128013.db2.gz WDHKXEHXMOVYSV-UHFFFAOYSA-N 0 3 346.862 3.165 10 10 EGCEHN Cc1ccc(N2CCC[N@@H+](Cc3cc(Cl)cc(C)c3[O-])CC2)nn1 ZINC000180078698 455128016 /nfs/dbraw/zinc/12/80/16/455128016.db2.gz WDHKXEHXMOVYSV-UHFFFAOYSA-N 0 3 346.862 3.165 10 10 EGCEHN COc1cc(O)c(CN2CCC[C@@H]2c2c(C)nn(C)c2C)cc1OC ZINC000180136102 455137898 /nfs/dbraw/zinc/13/78/98/455137898.db2.gz KFNHBJKGPUFOQM-OAHLLOKOSA-N 0 3 345.443 3.097 10 10 EGCEHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000190296336 455294895 /nfs/dbraw/zinc/29/48/95/455294895.db2.gz YPLHWJUPSHOXMP-RDJZCZTQSA-N 0 3 333.453 3.060 10 10 EGCEHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000190296336 455294901 /nfs/dbraw/zinc/29/49/01/455294901.db2.gz YPLHWJUPSHOXMP-RDJZCZTQSA-N 0 3 333.453 3.060 10 10 EGCEHN C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000284290370 455663013 /nfs/dbraw/zinc/66/30/13/455663013.db2.gz KFRIJFLQVVGFLJ-CRFBAAHOSA-N 0 3 335.488 3.080 10 10 EGCEHN C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000284290376 455663120 /nfs/dbraw/zinc/66/31/20/455663120.db2.gz KFRIJFLQVVGFLJ-URKNILKWSA-N 0 3 335.488 3.080 10 10 EGCEHN Cc1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c([O-])c1O ZINC000248407307 455713452 /nfs/dbraw/zinc/71/34/52/455713452.db2.gz CVAXFLNCPIHJFH-CVEARBPZSA-N 0 3 346.471 3.133 10 10 EGCEHN Cc1ccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c([O-])c1O ZINC000248407307 455713453 /nfs/dbraw/zinc/71/34/53/455713453.db2.gz CVAXFLNCPIHJFH-CVEARBPZSA-N 0 3 346.471 3.133 10 10 EGCEHN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C12CCOCC2 ZINC000186317812 455741192 /nfs/dbraw/zinc/74/11/92/455741192.db2.gz AVDNVORTVXFZPI-MORSLUCNSA-N 0 3 335.444 3.026 10 10 EGCEHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC000292781249 455756712 /nfs/dbraw/zinc/75/67/12/455756712.db2.gz LLBCSRJJSHODDU-HOCLYGCPSA-N 0 3 332.444 3.224 10 10 EGCEHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC000292781249 455756717 /nfs/dbraw/zinc/75/67/17/455756717.db2.gz LLBCSRJJSHODDU-HOCLYGCPSA-N 0 3 332.444 3.224 10 10 EGCEHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000269323709 455835463 /nfs/dbraw/zinc/83/54/63/455835463.db2.gz JZFLVUYZEYPMJZ-HNNXBMFYSA-N 0 3 337.485 3.325 10 10 EGCEHN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000189033858 456204806 /nfs/dbraw/zinc/20/48/06/456204806.db2.gz ZIFCFPZDRUOKEF-ZWKOTPCHSA-N 0 3 342.414 3.373 10 10 EGCEHN Cc1cc(Cl)cc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1[O-] ZINC000369143352 458100236 /nfs/dbraw/zinc/10/02/36/458100236.db2.gz LNAJUOPSDUCGIT-INIZCTEOSA-N 0 3 335.835 3.023 10 10 EGCEHN C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1[O-] ZINC000530213604 458718103 /nfs/dbraw/zinc/71/81/03/458718103.db2.gz ATNIGUDISBYYFT-HZMBPMFUSA-N 0 3 325.250 3.090 10 10 EGCEHN Cc1cc(Br)cc([C@@H](C)N[C@@H]2CC[NH2+]C23CCC3)c1[O-] ZINC000530217236 458719317 /nfs/dbraw/zinc/71/93/17/458719317.db2.gz SJPAETLHJXJWTF-BXUZGUMPSA-N 0 3 339.277 3.398 10 10 EGCEHN COc1ccc(CN2CC[C@H]2C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000527963776 459784139 /nfs/dbraw/zinc/78/41/39/459784139.db2.gz BVPMAIFGLGSBHX-PBHICJAKSA-N 0 3 344.430 3.465 10 10 EGCEHN COc1cc([O-])c(C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc1OC ZINC000529643894 459831818 /nfs/dbraw/zinc/83/18/18/459831818.db2.gz VYJXIVVTVFSVBY-GDIGMMSISA-N 0 3 345.826 3.491 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c1[O-] ZINC000529668604 459833342 /nfs/dbraw/zinc/83/33/42/459833342.db2.gz HTVPVEBDMPBPDL-MRXNPFEDSA-N 0 3 330.815 3.271 10 10 EGCEHN COc1ccc(O)c([C@H](C)NC(=O)NCCN2[C@H](C)CCC[C@H]2C)c1 ZINC000730825495 575025397 /nfs/dbraw/zinc/02/53/97/575025397.db2.gz DYRYMEWGJAKMMN-KFWWJZLASA-N 0 3 349.475 3.024 10 10 EGCEHN C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000742386743 576777631 /nfs/dbraw/zinc/77/76/31/576777631.db2.gz AKKZSLAMCVQJSF-ZMYBRWDISA-N 0 3 336.435 3.158 10 10 EGCEHN CCCO[C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000701673695 1298189602 /nfs/dbraw/zinc/18/96/02/1298189602.db2.gz PQTLIDOAKYUUNJ-AWEZNQCLSA-N 0 3 328.250 3.464 10 10 EGCEHN CC(=O)c1c(F)cncc1NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000897522629 1310362130 /nfs/dbraw/zinc/36/21/30/1310362130.db2.gz NGFXUVPHDBNGMP-SFHVURJKSA-N 0 3 344.434 3.204 10 10 EGCEHN CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000926908293 1327769307 /nfs/dbraw/zinc/76/93/07/1327769307.db2.gz HYJJEHGDPVQESU-CQSZACIVSA-N 0 3 333.453 3.079 10 10 EGCEHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CCOCC3)O2)c2c1c(F)ccc2[O-] ZINC000927013022 1327820098 /nfs/dbraw/zinc/82/00/98/1327820098.db2.gz JCWPEZQBRWXDRS-VNHYZAJKSA-N 0 3 335.419 3.397 10 10 EGCEHN Cc1cccc(CN2CCN(Cc3cc4ccccc4[nH]3)CC2)c1O ZINC000862535207 1329493520 /nfs/dbraw/zinc/49/35/20/1329493520.db2.gz WZMUZELRWBBGPJ-UHFFFAOYSA-N 0 3 335.451 3.500 10 10 EGCEHN C[C@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000866443399 1330113340 /nfs/dbraw/zinc/11/33/40/1330113340.db2.gz LTTDEGOVKBLOMB-COJSNBRMSA-N 0 3 338.879 3.393 10 10 EGCEHN CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000866633234 1330136099 /nfs/dbraw/zinc/13/60/99/1330136099.db2.gz GVXBSXCPVBQTOS-JFGNBEQYSA-N 0 3 346.265 3.363 10 10 EGCEHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001324291288 1387583641 /nfs/dbraw/zinc/58/36/41/1387583641.db2.gz LIIDFBAHFLPWLL-HNNXBMFYSA-N 0 3 340.786 3.027 10 10 EGCEHN CC(C)[C@]1(C)C[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134686138 1376658019 /nfs/dbraw/zinc/65/80/19/1376658019.db2.gz BCOVXFRLXQPHEE-BJLQDIEVSA-N 0 3 331.504 3.154 10 10 EGCEHN CCC(C)(C)N1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001312532554 1384355547 /nfs/dbraw/zinc/35/55/47/1384355547.db2.gz SUHPAPADGPBOID-MRXNPFEDSA-N 0 3 346.519 3.329 10 10 EGCEHN Cc1cc(Br)cc([C@@H](C)N[C@H]2CC[NH2+]C23CCC3)c1[O-] ZINC000530217248 458719432 /nfs/dbraw/zinc/71/94/32/458719432.db2.gz SJPAETLHJXJWTF-RISCZKNCSA-N 0 3 339.277 3.398 10 10 EGCEHN COc1ccc(N2CCC(NCc3cn(C)nc3C(C)C)CC2)cc1 ZINC000071924586 454260750 /nfs/dbraw/zinc/26/07/50/454260750.db2.gz VUEZAFZCEIMIFX-UHFFFAOYSA-N 0 3 342.487 3.311 10 10 EGCEHN Cc1cccc(C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)c1[O-] ZINC000180114657 455134651 /nfs/dbraw/zinc/13/46/51/455134651.db2.gz UPUJPNLRPBYXTH-KRWDZBQOSA-N 0 3 346.496 3.267 10 10 EGCEHN Cc1cccc(C[N@@H+](C)C[C@@H](c2cccs2)N2CCOCC2)c1[O-] ZINC000180114657 455134654 /nfs/dbraw/zinc/13/46/54/455134654.db2.gz UPUJPNLRPBYXTH-KRWDZBQOSA-N 0 3 346.496 3.267 10 10 EGCEHN COc1cc(Cl)cc(CN2CCC[C@@H](n3cc(C)cn3)C2)c1O ZINC000184691044 455428864 /nfs/dbraw/zinc/42/88/64/455428864.db2.gz QBLMYXJCIMXSAX-OAHLLOKOSA-N 0 3 335.835 3.396 10 10 EGCEHN COc1ccc(O)c(CNC2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000182672713 455565800 /nfs/dbraw/zinc/56/58/00/455565800.db2.gz HVDOECFMJVIRGX-UHFFFAOYSA-N 0 3 349.377 3.475 10 10 EGCEHN CCc1cc(N2CCC[C@@H]([NH2+][C@H](CC)c3ccccc3[O-])C2)ncn1 ZINC000248552290 455720284 /nfs/dbraw/zinc/72/02/84/455720284.db2.gz JBOWGAJYUAYZDR-SJLPKXTDSA-N 0 3 340.471 3.454 10 10 EGCEHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2[O-])[C@H]1Oc1ccccc1 ZINC000249466528 455757164 /nfs/dbraw/zinc/75/71/64/455757164.db2.gz SLCKYBXWOYZTLI-YVWKXTFCSA-N 0 3 343.423 3.115 10 10 EGCEHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1[O-] ZINC000295032936 455835980 /nfs/dbraw/zinc/83/59/80/455835980.db2.gz OCWWNDFYMOPLTE-HZPDHXFCSA-N 0 3 348.830 3.459 10 10 EGCEHN Cc1ccncc1CNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000279947107 455878467 /nfs/dbraw/zinc/87/84/67/455878467.db2.gz OEESBVMYHWVIGH-IYBDPMFKSA-N 0 3 343.446 3.433 10 10 EGCEHN CCOc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1[O-] ZINC000282640972 456578137 /nfs/dbraw/zinc/57/81/37/456578137.db2.gz GYVVFSWFFKFCIH-ZDUSSCGKSA-N 0 3 338.448 3.136 10 10 EGCEHN [O-]c1cc2c(cc1C[NH2+]Cc1cccc(-c3cccnc3)c1)OCO2 ZINC000376627518 458357682 /nfs/dbraw/zinc/35/76/82/458357682.db2.gz NZZIIEPLSBWPHK-UHFFFAOYSA-N 0 3 334.375 3.473 10 10 EGCEHN CC[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000373485444 458506560 /nfs/dbraw/zinc/50/65/60/458506560.db2.gz ZRNIJZFKBNOMRG-OXJNMPFZSA-N 0 3 327.424 3.315 10 10 EGCEHN CC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000373485444 458506565 /nfs/dbraw/zinc/50/65/65/458506565.db2.gz ZRNIJZFKBNOMRG-OXJNMPFZSA-N 0 3 327.424 3.315 10 10 EGCEHN Oc1ccc(Br)cc1CNc1ccc2c(c1)OCCNC2 ZINC000530181772 458711332 /nfs/dbraw/zinc/71/13/32/458711332.db2.gz NVDWRXFWSBYRCM-UHFFFAOYSA-N 0 3 349.228 3.249 10 10 EGCEHN Cc1noc(C)c1CO[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000365838003 547778507 /nfs/dbraw/zinc/77/85/07/547778507.db2.gz MTNMOJGSKMIVHL-GOSISDBHSA-N 0 3 329.444 3.149 10 10 EGCEHN CC[C@@H]1CN(Cc2c(O)c(C(=O)OC)cc3ccccc32)C[C@@H](C)O1 ZINC000732186154 575242788 /nfs/dbraw/zinc/24/27/88/575242788.db2.gz YIXDSXSSNGFEAY-UKRRQHHQSA-N 0 3 343.423 3.331 10 10 EGCEHN COc1cccc(CN[C@@H](Cc2nccn2C)c2ccccc2)c1O ZINC000742387671 576777789 /nfs/dbraw/zinc/77/77/89/576777789.db2.gz IUBFBBPRRSGDFK-KRWDZBQOSA-N 0 3 337.423 3.208 10 10 EGCEHN Oc1cc(OCc2ccccc2)ccc1CN1CCN(C2CC2)CC1 ZINC000182980459 1295088810 /nfs/dbraw/zinc/08/88/10/1295088810.db2.gz XWSMHIUFZCBWID-UHFFFAOYSA-N 0 3 338.451 3.251 10 10 EGCEHN [O-]c1ccc(Br)cc1CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000236614949 1296191463 /nfs/dbraw/zinc/19/14/63/1296191463.db2.gz ZAMCTEVOGBRTMX-MRXNPFEDSA-N 0 3 339.277 3.120 10 10 EGCEHN COc1cc(C)cc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000894882049 1309113592 /nfs/dbraw/zinc/11/35/92/1309113592.db2.gz UOMAVBXHCRHQJN-XLIONFOSSA-N 0 3 345.414 3.009 10 10 EGCEHN Cc1cc(C(=O)NC[C@H]2CCCN2C)c(C)n1-c1cccc(C)c1 ZINC000920474995 1322181840 /nfs/dbraw/zinc/18/18/40/1322181840.db2.gz YTQOICJFAASYQA-GOSISDBHSA-N 0 3 325.456 3.227 10 10 EGCEHN CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000926910761 1327771375 /nfs/dbraw/zinc/77/13/75/1327771375.db2.gz WAAKJKAECWIJDB-HNNXBMFYSA-N 0 3 347.480 3.388 10 10 EGCEHN CCCN(Cc1cccc(C(=O)OCC)n1)Cc1ccccc1O ZINC000862237454 1329469748 /nfs/dbraw/zinc/46/97/48/1329469748.db2.gz PRQWBRWJTLJVQL-UHFFFAOYSA-N 0 3 328.412 3.376 10 10 EGCEHN CCC[N@H+](Cc1cccc(C(=O)OCC)n1)Cc1ccccc1[O-] ZINC000862237454 1329469749 /nfs/dbraw/zinc/46/97/49/1329469749.db2.gz PRQWBRWJTLJVQL-UHFFFAOYSA-N 0 3 328.412 3.376 10 10 EGCEHN CCC[N@@H+](Cc1cccc(C(=O)OCC)n1)Cc1ccccc1[O-] ZINC000862237454 1329469750 /nfs/dbraw/zinc/46/97/50/1329469750.db2.gz PRQWBRWJTLJVQL-UHFFFAOYSA-N 0 3 328.412 3.376 10 10 EGCEHN COc1cc(Cl)cc(CNCc2c(C(F)(F)F)cnn2C)c1O ZINC000862436019 1329486647 /nfs/dbraw/zinc/48/66/47/1329486647.db2.gz UDNVMSJQAVOWQL-UHFFFAOYSA-N 0 3 349.740 3.096 10 10 EGCEHN C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000866443402 1330113241 /nfs/dbraw/zinc/11/32/41/1330113241.db2.gz LTTDEGOVKBLOMB-ZXTQRBJTSA-N 0 3 338.879 3.393 10 10 EGCEHN C[C@@H](NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)c1ccccc1O ZINC000868449148 1330281802 /nfs/dbraw/zinc/28/18/02/1330281802.db2.gz UGGLLCPNMPFACG-LJHODMEESA-N 0 3 339.439 3.198 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)c3cccc(F)c3)CC2)cc1C ZINC001323383573 1387358701 /nfs/dbraw/zinc/35/87/01/1387358701.db2.gz QZKINGQMCHFBBZ-UHFFFAOYSA-N 0 3 342.414 3.195 10 10 EGCEHN CC(C)[C@]1(C)C[C@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001229750016 1375884545 /nfs/dbraw/zinc/88/45/45/1375884545.db2.gz BVRGBAXCJNBWGE-GGPKGHCWSA-N 0 3 346.519 3.089 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)C3C=CC=CC=C3)CC2)cc1C ZINC001733245400 1429390728 /nfs/dbraw/zinc/39/07/28/1429390728.db2.gz DSRLJBWYPLJOKW-UHFFFAOYSA-N 0 3 338.451 3.040 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)/C=C\c2ccco2)cc1C ZINC001716262369 1420587246 /nfs/dbraw/zinc/58/72/46/1420587246.db2.gz GNVDEUUIPSUFTN-YHOGECKDSA-N 0 3 340.423 3.072 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@H](C)C(C)(C)C)CC2)cc1C ZINC001716685791 1420838833 /nfs/dbraw/zinc/83/88/33/1420838833.db2.gz NAODUZLUNIMZEY-HNNXBMFYSA-N 0 3 332.488 3.424 10 10 EGCEHN CCOc1cccc(CN2CCC(Nc3nccs3)CC2)c1O ZINC000189954164 455260651 /nfs/dbraw/zinc/26/06/51/455260651.db2.gz WJUBYXHHWBUXEE-UHFFFAOYSA-N 0 3 333.457 3.324 10 10 EGCEHN CN(CCO)c1ccc(CN[C@@H]2CCSc3ccccc32)cc1 ZINC000012542031 453368962 /nfs/dbraw/zinc/36/89/62/453368962.db2.gz KHXQPHFVQACZNX-GOSISDBHSA-N 0 3 328.481 3.442 10 10 EGCEHN Cc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc(C)c1O ZINC000016878591 453623121 /nfs/dbraw/zinc/62/31/21/453623121.db2.gz WGAWIOTYBWKDIB-UHFFFAOYSA-N 0 3 340.467 3.478 10 10 EGCEHN CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000090410592 454302041 /nfs/dbraw/zinc/30/20/41/454302041.db2.gz DFSJFHHZRGFNKI-AEFFLSMTSA-N 0 3 344.503 3.131 10 10 EGCEHN Cc1ccc(O)c(CN2CCC(n3c4ccccc4[nH]c3=O)CC2)c1 ZINC000121807834 454480173 /nfs/dbraw/zinc/48/01/73/454480173.db2.gz QVINUPXYAVSHBE-UHFFFAOYSA-N 0 3 337.423 3.181 10 10 EGCEHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1)OCO2 ZINC000093868383 454742987 /nfs/dbraw/zinc/74/29/87/454742987.db2.gz XZQAUMQJXCVJLT-DLBZAZTESA-N 0 3 341.407 3.209 10 10 EGCEHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1)OCO2 ZINC000093868383 454742992 /nfs/dbraw/zinc/74/29/92/454742992.db2.gz XZQAUMQJXCVJLT-DLBZAZTESA-N 0 3 341.407 3.209 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000186189008 455712454 /nfs/dbraw/zinc/71/24/54/455712454.db2.gz XLQXMUSSKWUIDE-ADLFWFRXSA-N 0 3 326.440 3.497 10 10 EGCEHN CCc1cc(N2CCC[C@H]([NH2+][C@H](CC)c3ccccc3[O-])C2)ncn1 ZINC000248552287 455720110 /nfs/dbraw/zinc/72/01/10/455720110.db2.gz JBOWGAJYUAYZDR-FUHWJXTLSA-N 0 3 340.471 3.454 10 10 EGCEHN CCOc1cccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1[O-] ZINC000269306380 455832405 /nfs/dbraw/zinc/83/24/05/455832405.db2.gz DUGOTOOFVCDEBK-HNNXBMFYSA-N 0 3 337.485 3.325 10 10 EGCEHN CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000187023463 455863334 /nfs/dbraw/zinc/86/33/34/455863334.db2.gz DOKJEARMMWESHG-STQMWFEESA-N 0 3 341.293 3.456 10 10 EGCEHN CC[C@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(C)cc1[O-] ZINC000280058368 455882470 /nfs/dbraw/zinc/88/24/70/455882470.db2.gz KDWAJIAWLPPOED-AEFFLSMTSA-N 0 3 342.487 3.452 10 10 EGCEHN CCOc1cccc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000365143060 457728788 /nfs/dbraw/zinc/72/87/88/457728788.db2.gz UUMNFXLKDGPDFG-INIZCTEOSA-N 0 3 329.444 3.215 10 10 EGCEHN COc1cc([O-])c(C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)cc1OC ZINC000371469762 457947873 /nfs/dbraw/zinc/94/78/73/457947873.db2.gz GNWCYUUZTPOQBL-FZKQIMNGSA-N 0 3 343.423 3.233 10 10 EGCEHN COc1cc([O-])c(C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)cc1OC ZINC000371469762 457947877 /nfs/dbraw/zinc/94/78/77/457947877.db2.gz GNWCYUUZTPOQBL-FZKQIMNGSA-N 0 3 343.423 3.233 10 10 EGCEHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000373464759 458500136 /nfs/dbraw/zinc/50/01/36/458500136.db2.gz HMBBZDBJIMCFHW-GOSISDBHSA-N 0 3 339.435 3.440 10 10 EGCEHN CC(C)(C)[C@@H]1CN(C(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000662545341 461290550 /nfs/dbraw/zinc/29/05/50/461290550.db2.gz OVTSATHNPCJGLE-XJKSGUPXSA-N 0 3 338.455 3.277 10 10 EGCEHN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000732165055 575241429 /nfs/dbraw/zinc/24/14/29/575241429.db2.gz CGYVVPPGUVVPIO-INIZCTEOSA-N 0 3 343.496 3.464 10 10 EGCEHN CCOc1ccc(O)c(CNCC(=O)Nc2cccc(CC)c2)c1 ZINC000732230373 575247058 /nfs/dbraw/zinc/24/70/58/575247058.db2.gz GTOHQVARGNNIIX-UHFFFAOYSA-N 0 3 328.412 3.082 10 10 EGCEHN CC(=O)c1cccc(NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)n1 ZINC000897523294 1310361669 /nfs/dbraw/zinc/36/16/69/1310361669.db2.gz SYXIPPMHPMTWSI-SFHVURJKSA-N 0 3 326.444 3.065 10 10 EGCEHN O=C(NCc1c([O-])cccc1F)NC1CC[NH+](C2CCCCC2)CC1 ZINC000921222517 1322276498 /nfs/dbraw/zinc/27/64/98/1322276498.db2.gz VDGHRTIKXRUOEK-UHFFFAOYSA-N 0 3 349.450 3.128 10 10 EGCEHN CC[N@@H+]1CC[C@@H](N(C)Cc2c([O-])cccc2Br)[C@@H](C)C1 ZINC000862248797 1329471014 /nfs/dbraw/zinc/47/10/14/1329471014.db2.gz SEADOZBPZXGHCY-SWLSCSKDSA-N 0 3 341.293 3.317 10 10 EGCEHN CC[N@H+]1CC[C@@H](N(C)Cc2c([O-])cccc2Br)[C@@H](C)C1 ZINC000862248797 1329471016 /nfs/dbraw/zinc/47/10/16/1329471016.db2.gz SEADOZBPZXGHCY-SWLSCSKDSA-N 0 3 341.293 3.317 10 10 EGCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1[O-] ZINC000866447090 1330113584 /nfs/dbraw/zinc/11/35/84/1330113584.db2.gz HMLFPJJDVFKJAM-QISWUMQESA-N 0 3 344.249 3.380 10 10 EGCEHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c([O-])c1 ZINC000866576338 1330128981 /nfs/dbraw/zinc/12/89/81/1330128981.db2.gz GNNZXHVSYOJGSO-OAHLLOKOSA-N 0 3 339.439 3.077 10 10 EGCEHN CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000866633230 1330136052 /nfs/dbraw/zinc/13/60/52/1330136052.db2.gz GVXBSXCPVBQTOS-HOSYDEDBSA-N 0 3 346.265 3.363 10 10 EGCEHN C[C@@H]1CCC[C@@]1(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881803 1376765430 /nfs/dbraw/zinc/76/54/30/1376765430.db2.gz HUYFBLQIYAHXGX-MOXGXCLJSA-N 0 3 331.504 3.298 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)C2C(C)(C)C2(C)C)cc1C ZINC001699242945 1412594458 /nfs/dbraw/zinc/59/44/58/1412594458.db2.gz MWNGUQVPYFAROY-BQYQJAHWSA-N 0 3 344.499 3.448 10 10 EGCEHN Cc1occc1C(=O)NC1CC[NH+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000066795762 453874199 /nfs/dbraw/zinc/87/41/99/453874199.db2.gz YNPQPGITNPZHMW-UHFFFAOYSA-N 0 3 342.439 3.305 10 10 EGCEHN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@H](n3cccn3)C2)c1 ZINC000102393267 454502955 /nfs/dbraw/zinc/50/29/55/454502955.db2.gz YZZUSTGJGOYIEQ-MRXNPFEDSA-N 0 3 329.444 3.429 10 10 EGCEHN Cc1cc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000127508831 454971556 /nfs/dbraw/zinc/97/15/56/454971556.db2.gz GCRZTZVWCPXVLW-PBHICJAKSA-N 0 3 340.471 3.044 10 10 EGCEHN Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000190470538 455326253 /nfs/dbraw/zinc/32/62/53/455326253.db2.gz DFVPPQOEFHZMBL-MRXNPFEDSA-N 0 3 345.512 3.419 10 10 EGCEHN Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000190470538 455326259 /nfs/dbraw/zinc/32/62/59/455326259.db2.gz DFVPPQOEFHZMBL-MRXNPFEDSA-N 0 3 345.512 3.419 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000185762966 455616541 /nfs/dbraw/zinc/61/65/41/455616541.db2.gz KRVDSNMIRINWDT-HOCLYGCPSA-N 0 3 346.471 3.233 10 10 EGCEHN Cc1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c([O-])c1O ZINC000248407309 455713340 /nfs/dbraw/zinc/71/33/40/455713340.db2.gz CVAXFLNCPIHJFH-HZPDHXFCSA-N 0 3 346.471 3.133 10 10 EGCEHN Cc1ccc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c([O-])c1O ZINC000248407309 455713344 /nfs/dbraw/zinc/71/33/44/455713344.db2.gz CVAXFLNCPIHJFH-HZPDHXFCSA-N 0 3 346.471 3.133 10 10 EGCEHN CC[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccccc1[O-] ZINC000248544546 455719084 /nfs/dbraw/zinc/71/90/84/455719084.db2.gz DNXXRWPHJRBGTL-NSHGMRRFSA-N 0 3 340.467 3.068 10 10 EGCEHN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)cc(C)c1[O-])CC2 ZINC000305756586 456555580 /nfs/dbraw/zinc/55/55/80/456555580.db2.gz AKHWFYVEQHAQNA-HZPDHXFCSA-N 0 3 339.863 3.106 10 10 EGCEHN COc1cccc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1[O-] ZINC000282729260 456605298 /nfs/dbraw/zinc/60/52/98/456605298.db2.gz MDWUDDRDAIDIGS-MRXNPFEDSA-N 0 3 341.455 3.313 10 10 EGCEHN COc1cccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1[O-] ZINC000282729260 456605307 /nfs/dbraw/zinc/60/53/07/456605307.db2.gz MDWUDDRDAIDIGS-MRXNPFEDSA-N 0 3 341.455 3.313 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCC(c3nc(C)no3)CC2)c1 ZINC000363860974 457457238 /nfs/dbraw/zinc/45/72/38/457457238.db2.gz VXTLCGOHIQESNS-LMWSTFAQSA-N 0 3 331.416 3.469 10 10 EGCEHN CCCN(CCC)c1ccc(CN2CC[C@H](n3cncn3)C2)cc1 ZINC000372362832 458290241 /nfs/dbraw/zinc/29/02/41/458290241.db2.gz ABWVOAKKRDCNQR-IBGZPJMESA-N 0 3 327.476 3.352 10 10 EGCEHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CC[C@H](c3ccccc3)O1)OCO2 ZINC000377405066 458499470 /nfs/dbraw/zinc/49/94/70/458499470.db2.gz SBMQBPPIBCEUHR-NVXWUHKLSA-N 0 3 327.380 3.131 10 10 EGCEHN COc1ccc(CN2CC[C@@H]2C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000527963778 459783864 /nfs/dbraw/zinc/78/38/64/459783864.db2.gz BVPMAIFGLGSBHX-RHSMWYFYSA-N 0 3 344.430 3.465 10 10 EGCEHN COc1ccc(CN2CC[C@@H]2C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000527965487 459784434 /nfs/dbraw/zinc/78/44/34/459784434.db2.gz MOSPCYOEKLSLHL-MJGOQNOKSA-N 0 3 338.451 3.252 10 10 EGCEHN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1 ZINC000732034714 575232629 /nfs/dbraw/zinc/23/26/29/575232629.db2.gz GYJGDCLTXFHHPQ-FQEVSTJZSA-N 0 3 337.467 3.403 10 10 EGCEHN COc1ccccc1N1CCC([NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000585118592 1298029067 /nfs/dbraw/zinc/02/90/67/1298029067.db2.gz VIOBUMFLSICVIL-UHFFFAOYSA-N 0 3 326.440 3.468 10 10 EGCEHN COC(=O)c1c(CN[C@H]2CS[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894993416 1309147423 /nfs/dbraw/zinc/14/74/23/1309147423.db2.gz RUUBLWBJYUBHOV-ZYHUDNBSSA-N 0 3 336.432 3.088 10 10 EGCEHN CCN(CC)c1ccc(CN2CCC3(CC2)COCCO3)cc1F ZINC000895696611 1309470735 /nfs/dbraw/zinc/47/07/35/1309470735.db2.gz XJQPQBCYRFGESH-UHFFFAOYSA-N 0 3 336.451 3.053 10 10 EGCEHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015222 1328660069 /nfs/dbraw/zinc/66/00/69/1328660069.db2.gz SYKHWIVLWBCPGJ-MRXNPFEDSA-N 0 3 340.423 3.327 10 10 EGCEHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015222 1328660076 /nfs/dbraw/zinc/66/00/76/1328660076.db2.gz SYKHWIVLWBCPGJ-MRXNPFEDSA-N 0 3 340.423 3.327 10 10 EGCEHN CC1(C)OC[C@@H]2C[C@@]21NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000858227611 1328716316 /nfs/dbraw/zinc/71/63/16/1328716316.db2.gz AKBBAMQKSXIDBV-HNAYVOBHSA-N 0 3 345.443 3.242 10 10 EGCEHN [O-]c1ccccc1C[N@H+](CCCc1cccnc1)C[C@@H]1CCCO1 ZINC000929970249 1328752947 /nfs/dbraw/zinc/75/29/47/1328752947.db2.gz JCUOLCUXYUPDHL-IBGZPJMESA-N 0 3 326.440 3.401 10 10 EGCEHN [O-]c1ccccc1C[N@@H+](CCCc1cccnc1)C[C@@H]1CCCO1 ZINC000929970249 1328752949 /nfs/dbraw/zinc/75/29/49/1328752949.db2.gz JCUOLCUXYUPDHL-IBGZPJMESA-N 0 3 326.440 3.401 10 10 EGCEHN CCC1([NH+]2CCCCC2)CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000915125488 1319428158 /nfs/dbraw/zinc/42/81/58/1319428158.db2.gz KKTZSVYWQACQNO-UHFFFAOYSA-N 0 3 346.471 3.277 10 10 EGCEHN O=C(NCc1c([O-])cccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000928711544 1328407263 /nfs/dbraw/zinc/40/72/63/1328407263.db2.gz INUYIGWGBSNEQX-UHFFFAOYSA-N 0 3 342.414 3.060 10 10 EGCEHN Cc1ncc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)o1 ZINC000862274301 1329472967 /nfs/dbraw/zinc/47/29/67/1329472967.db2.gz IMKCVXWHJVMROZ-UHFFFAOYSA-N 0 3 337.370 3.343 10 10 EGCEHN CN1CCN(c2ccc(CN[C@H](CF)c3ccc(F)cc3)cc2)CC1 ZINC000865823030 1329742337 /nfs/dbraw/zinc/74/23/37/1329742337.db2.gz QVFOCAQEADVBOR-HXUWFJFHSA-N 0 3 345.437 3.378 10 10 EGCEHN CCC[C@@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000866414221 1330108761 /nfs/dbraw/zinc/10/87/61/1330108761.db2.gz ARUATSYAAGVSPU-PWSUYJOCSA-N 0 3 346.265 3.365 10 10 EGCEHN C[C@H]1C[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000866437412 1330112550 /nfs/dbraw/zinc/11/25/50/1330112550.db2.gz GQXAXDWUCMYYTR-AAEUAGOBSA-N 0 3 339.407 3.028 10 10 EGCEHN CC[C@H]([NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000866526969 1330121655 /nfs/dbraw/zinc/12/16/55/1330121655.db2.gz RQUSOGVAYIGRQN-KRWDZBQOSA-N 0 3 348.487 3.239 10 10 EGCEHN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001313410843 1384416513 /nfs/dbraw/zinc/41/65/13/1384416513.db2.gz FWWSXWQITBRYRQ-YYAJDYIMSA-N 0 3 346.519 3.041 10 10 EGCEHN c1cn2c(cccc2CNCc2ccc(N3CCSCC3)cc2)n1 ZINC001177315413 1385910394 /nfs/dbraw/zinc/91/03/94/1385910394.db2.gz YYVKIKVSKWWXAZ-UHFFFAOYSA-N 0 3 338.480 3.177 10 10 EGCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@@H](OC)C2)c1[O-] ZINC001332947337 1390221470 /nfs/dbraw/zinc/22/14/70/1390221470.db2.gz WVJVAHFWIVDMHU-ZMLRMANQSA-N 0 3 344.249 3.381 10 10 EGCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1ccccc1 ZINC000076074276 453958454 /nfs/dbraw/zinc/95/84/54/453958454.db2.gz AMZRQVWGEWMGBQ-LJQANCHMSA-N 0 3 329.440 3.182 10 10 EGCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1ccccc1 ZINC000076074276 453958457 /nfs/dbraw/zinc/95/84/57/453958457.db2.gz AMZRQVWGEWMGBQ-LJQANCHMSA-N 0 3 329.440 3.182 10 10 EGCEHN CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1[O-] ZINC000155759051 455041797 /nfs/dbraw/zinc/04/17/97/455041797.db2.gz NLWWDDRJRZGNOS-MSOLQXFVSA-N 0 3 326.440 3.132 10 10 EGCEHN CNC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000179614621 455061846 /nfs/dbraw/zinc/06/18/46/455061846.db2.gz WWAGTLPIXYOKNL-UHFFFAOYSA-N 0 3 332.831 3.346 10 10 EGCEHN CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000179614621 455061848 /nfs/dbraw/zinc/06/18/48/455061848.db2.gz WWAGTLPIXYOKNL-UHFFFAOYSA-N 0 3 332.831 3.346 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000180079362 455128859 /nfs/dbraw/zinc/12/88/59/455128859.db2.gz DEXCHDYXGFPXCI-INIZCTEOSA-N 0 3 346.862 3.245 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000180079362 455128862 /nfs/dbraw/zinc/12/88/62/455128862.db2.gz DEXCHDYXGFPXCI-INIZCTEOSA-N 0 3 346.862 3.245 10 10 EGCEHN CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc3c(cc1[O-])CCCC3)CC2 ZINC000185995649 455670974 /nfs/dbraw/zinc/67/09/74/455670974.db2.gz HUDPRURTVVIYRD-XJKSGUPXSA-N 0 3 340.471 3.091 10 10 EGCEHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(OC)ccc2[O-])C12CCOCC2 ZINC000248621795 455723768 /nfs/dbraw/zinc/72/37/68/455723768.db2.gz AVDNVORTVXFZPI-JEBQAFNWSA-N 0 3 335.444 3.026 10 10 EGCEHN CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(C)cc1[O-] ZINC000280058373 455882915 /nfs/dbraw/zinc/88/29/15/455882915.db2.gz KDWAJIAWLPPOED-SJLPKXTDSA-N 0 3 342.487 3.452 10 10 EGCEHN COC(=O)c1ccc(CN(Cc2ccc(N(C)C)cc2)C(C)C)nc1 ZINC000286011072 455959293 /nfs/dbraw/zinc/95/92/93/455959293.db2.gz OMTAMGWQWXEOKS-UHFFFAOYSA-N 0 3 341.455 3.345 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1[O-] ZINC000188569362 456087098 /nfs/dbraw/zinc/08/70/98/456087098.db2.gz WSPKQSFBGBJWTA-MCIONIFRSA-N 0 3 326.234 3.120 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000273493101 456234465 /nfs/dbraw/zinc/23/44/65/456234465.db2.gz OREVLFXUHVXSOL-UONOGXRCSA-N 0 3 337.485 3.496 10 10 EGCEHN C[C@@H]1C[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)c2c1c(F)ccc2[O-] ZINC000528008129 459794212 /nfs/dbraw/zinc/79/42/12/459794212.db2.gz WPTMLIFLUBHERX-RLCCDNCMSA-N 0 3 340.398 3.496 10 10 EGCEHN Cc1cc(C(=O)N2CCC[C@@H]2CN(C)C)c(C)n1-c1ccc(F)cc1 ZINC000727750291 574688660 /nfs/dbraw/zinc/68/86/60/574688660.db2.gz WHYXMEMXEJODQG-GOSISDBHSA-N 0 3 343.446 3.399 10 10 EGCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(C)cc1 ZINC000727830844 574692980 /nfs/dbraw/zinc/69/29/80/574692980.db2.gz QLLXDAFOGYXJPG-SFHVURJKSA-N 0 3 329.440 3.353 10 10 EGCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(C)cc1 ZINC000727830844 574692983 /nfs/dbraw/zinc/69/29/83/574692983.db2.gz QLLXDAFOGYXJPG-SFHVURJKSA-N 0 3 329.440 3.353 10 10 EGCEHN Cc1cc(O)c(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1C ZINC000742369264 576774411 /nfs/dbraw/zinc/77/44/11/576774411.db2.gz QUFZAXYNKKRHJE-AWEZNQCLSA-N 0 3 348.468 3.231 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c1[O-] ZINC000724814349 1298348860 /nfs/dbraw/zinc/34/88/60/1298348860.db2.gz NFNFISFJKMLTKZ-FZMZJTMJSA-N 0 3 326.234 3.074 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c1[O-] ZINC000724814349 1298348871 /nfs/dbraw/zinc/34/88/71/1298348871.db2.gz NFNFISFJKMLTKZ-FZMZJTMJSA-N 0 3 326.234 3.074 10 10 EGCEHN CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000879651311 1300651048 /nfs/dbraw/zinc/65/10/48/1300651048.db2.gz QVRUTPHVJMIWAV-QWHCGFSZSA-N 0 3 326.396 3.273 10 10 EGCEHN CCc1onc(C)c1CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000929317293 1328566389 /nfs/dbraw/zinc/56/63/89/1328566389.db2.gz YRBMJEQZDNQOIM-UHFFFAOYSA-N 0 3 329.444 3.266 10 10 EGCEHN Oc1ccccc1CN(Cc1ccco1)C[C@H](O)CCC1(O)CCC1 ZINC000929969748 1328753064 /nfs/dbraw/zinc/75/30/64/1328753064.db2.gz CPMIMDKEWNIFGM-QGZVFWFLSA-N 0 3 345.439 3.044 10 10 EGCEHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccns3)cc2F)CC1 ZINC000924996495 1323238795 /nfs/dbraw/zinc/23/87/95/1323238795.db2.gz XTTICQRLTFJWCE-AWEZNQCLSA-N 0 3 348.491 3.275 10 10 EGCEHN CCC1(N2CCOCC2)CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000862535677 1329493616 /nfs/dbraw/zinc/49/36/16/1329493616.db2.gz VUBXSNQUSWSZOD-UHFFFAOYSA-N 0 3 338.879 3.122 10 10 EGCEHN OC1CCN(c2ccc(CNCc3ccc(C(F)F)nc3)cc2)CC1 ZINC000865631403 1329722804 /nfs/dbraw/zinc/72/28/04/1329722804.db2.gz DZBVUAXEKZNTPC-UHFFFAOYSA-N 0 3 347.409 3.270 10 10 EGCEHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000868449150 1330281699 /nfs/dbraw/zinc/28/16/99/1330281699.db2.gz UGGLLCPNMPFACG-POZUXBRTSA-N 0 3 339.439 3.198 10 10 EGCEHN CC(C)[C@]1(C)C[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134686139 1376658323 /nfs/dbraw/zinc/65/83/23/1376658323.db2.gz BCOVXFRLXQPHEE-GGPKGHCWSA-N 0 3 331.504 3.154 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)/C=C\c2ccsc2)N(C)C)cc1 ZINC001134883002 1376765515 /nfs/dbraw/zinc/76/55/15/1376765515.db2.gz WPGRYEGMPKBRSG-PRCIHIDRSA-N 0 3 343.496 3.246 10 10 EGCEHN CC[C@@H]1C[C@H](C)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001313410105 1384416506 /nfs/dbraw/zinc/41/65/06/1384416506.db2.gz DMVPDHAUUKSBCA-WDYCEAGBSA-N 0 3 346.519 3.185 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@H](C)c3ccco3)CC2)cc1C ZINC001733255037 1429404932 /nfs/dbraw/zinc/40/49/32/1429404932.db2.gz CBGZWEDKJJYXSY-OAHLLOKOSA-N 0 3 342.439 3.139 10 10 EGCEHN CC[C@@H](C)[C@@H](C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001716697362 1420850134 /nfs/dbraw/zinc/85/01/34/1420850134.db2.gz PUGQDHJNYYJMFR-GDBMZVCRSA-N 0 3 332.488 3.424 10 10 EGCEHN Oc1cc2c(cc1CN1CCN(c3ccc(F)cc3)CC1)CCC2 ZINC000003345345 452759779 /nfs/dbraw/zinc/75/97/79/452759779.db2.gz RCBTWVBDRPLFNR-UHFFFAOYSA-N 0 3 326.415 3.342 10 10 EGCEHN C[C@H](Nc1ccc(OC2CCN(C)CC2)nc1)c1ccccc1O ZINC000183669167 455318372 /nfs/dbraw/zinc/31/83/72/455318372.db2.gz XZDRLONGTADGJN-AWEZNQCLSA-N 0 3 327.428 3.433 10 10 EGCEHN Cc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)cc(C)c1O ZINC000069751569 454140965 /nfs/dbraw/zinc/14/09/65/454140965.db2.gz SYAGSPQAPLCUFP-UHFFFAOYSA-N 0 3 344.430 3.275 10 10 EGCEHN CCN(CC)c1ccc(CN2CCCN(c3cccnn3)CC2)cc1 ZINC000093151000 454689130 /nfs/dbraw/zinc/68/91/30/454689130.db2.gz MVPLPVSPEGIFCO-UHFFFAOYSA-N 0 3 339.487 3.035 10 10 EGCEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000176978181 454806724 /nfs/dbraw/zinc/80/67/24/454806724.db2.gz CZVQYFROUOZJGG-QGZVFWFLSA-N 0 3 340.471 3.045 10 10 EGCEHN C[C@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000152359078 455107146 /nfs/dbraw/zinc/10/71/46/455107146.db2.gz ZPRVVZKTVBEJQX-HOCLYGCPSA-N 0 3 333.451 3.087 10 10 EGCEHN CCCn1cc(CN2CCC[N@H+](Cc3cccc(C)c3[O-])CC2)cn1 ZINC000180112471 455133734 /nfs/dbraw/zinc/13/37/34/455133734.db2.gz JPTVLMINJIRUCS-UHFFFAOYSA-N 0 3 342.487 3.015 10 10 EGCEHN CCCn1cc(CN2CCC[N@@H+](Cc3cccc(C)c3[O-])CC2)cn1 ZINC000180112471 455133736 /nfs/dbraw/zinc/13/37/36/455133736.db2.gz JPTVLMINJIRUCS-UHFFFAOYSA-N 0 3 342.487 3.015 10 10 EGCEHN COCCCOC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000180354484 455160637 /nfs/dbraw/zinc/16/06/37/455160637.db2.gz JLIGIFAFZDGGKV-UHFFFAOYSA-N 0 3 327.852 3.372 10 10 EGCEHN C[C@H](NC[C@H]1CN(C)CCO1)c1ccc(N2CCCCCC2)cc1 ZINC000180497886 455182785 /nfs/dbraw/zinc/18/27/85/455182785.db2.gz BYKRFACCBUYNOG-PXNSSMCTSA-N 0 3 331.504 3.048 10 10 EGCEHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000182978006 455203021 /nfs/dbraw/zinc/20/30/21/455203021.db2.gz PPQBEGIORCXUNA-DFNIBXOVSA-N 0 3 339.435 3.459 10 10 EGCEHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000182978006 455203023 /nfs/dbraw/zinc/20/30/23/455203023.db2.gz PPQBEGIORCXUNA-DFNIBXOVSA-N 0 3 339.435 3.459 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000185718560 455604570 /nfs/dbraw/zinc/60/45/70/455604570.db2.gz CLQVMGMRXQLNRW-OLZOCXBDSA-N 0 3 347.846 3.379 10 10 EGCEHN CC[C@@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1)c1ccccc1[O-] ZINC000278416066 455835334 /nfs/dbraw/zinc/83/53/34/455835334.db2.gz IEADKOFDYDMSJA-DOTOQJQBSA-N 0 3 328.460 3.144 10 10 EGCEHN C[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cc2c(cc1[O-])CCCC2 ZINC000278899948 455852906 /nfs/dbraw/zinc/85/29/06/455852906.db2.gz FRMUXUGUSITSIU-CABCVRRESA-N 0 3 325.456 3.381 10 10 EGCEHN CC[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(C)cc1[O-] ZINC000280093927 455890169 /nfs/dbraw/zinc/89/01/69/455890169.db2.gz MQWJQTBYENCXSZ-NVXWUHKLSA-N 0 3 326.444 3.200 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c([O-])c1C ZINC000273582584 456238538 /nfs/dbraw/zinc/23/85/38/456238538.db2.gz NBNCADDSRVBGPY-QFBILLFUSA-N 0 3 340.467 3.359 10 10 EGCEHN Cc1ccc([C@H](C)N[C@H](Cc2ccccc2)C(=O)N(C)C)c(O)c1C ZINC000273582584 456238547 /nfs/dbraw/zinc/23/85/47/456238547.db2.gz NBNCADDSRVBGPY-QFBILLFUSA-N 0 3 340.467 3.359 10 10 EGCEHN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)cc(C)c1[O-])CC2 ZINC000305756587 456555818 /nfs/dbraw/zinc/55/58/18/456555818.db2.gz AKHWFYVEQHAQNA-JKSUJKDBSA-N 0 3 339.863 3.106 10 10 EGCEHN CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(C)cc1[O-] ZINC000283515705 456794940 /nfs/dbraw/zinc/79/49/40/456794940.db2.gz ZXPRANCVDSPETN-IEZWGBDMSA-N 0 3 333.472 3.309 10 10 EGCEHN Cc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1[O-] ZINC000364720328 457679770 /nfs/dbraw/zinc/67/97/70/457679770.db2.gz CRXHRQJYALLJJH-GOSISDBHSA-N 0 3 342.483 3.315 10 10 EGCEHN COc1cc([O-])c(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)cc1OC ZINC000367686168 457970354 /nfs/dbraw/zinc/97/03/54/457970354.db2.gz LNFRVPOGLQNBMS-SJLPKXTDSA-N 0 3 343.423 3.419 10 10 EGCEHN CC[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000376020183 458165553 /nfs/dbraw/zinc/16/55/53/458165553.db2.gz DYLHYARPKGOPLF-RTWAWAEBSA-N 0 3 344.499 3.447 10 10 EGCEHN CC1(C)CN(Cc2ccc(N3CCCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000376021819 458166005 /nfs/dbraw/zinc/16/60/05/458166005.db2.gz PVBMTBDLDUUFKW-NRFANRHFSA-N 0 3 344.499 3.447 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(C)COc3ccccc3O2)c1 ZINC000527926910 459773468 /nfs/dbraw/zinc/77/34/68/459773468.db2.gz ADFSXPDARWQCSS-BFUOFWGJSA-N 0 3 329.396 3.282 10 10 EGCEHN CCOc1ccc(O)c(CNC(C)(C)C(=O)Nc2ccccc2)c1 ZINC000731041578 575046040 /nfs/dbraw/zinc/04/60/40/575046040.db2.gz HVAHPVBUDVNCIQ-UHFFFAOYSA-N 0 3 328.412 3.298 10 10 EGCEHN Cc1cc(CCNC(=O)[C@@H](C(C)C)N(C)C)c(C)n1-c1ccccc1 ZINC000732053786 575234315 /nfs/dbraw/zinc/23/43/15/575234315.db2.gz FZJTVQJCCYCGPS-HXUWFJFHSA-N 0 3 341.499 3.339 10 10 EGCEHN CN(C)c1ccc(N2CCC([NH2+]Cc3ccccc3[O-])CC2)cc1 ZINC000742377355 576776208 /nfs/dbraw/zinc/77/62/08/576776208.db2.gz BHVVXZHZSREUSY-UHFFFAOYSA-N 0 3 325.456 3.217 10 10 EGCEHN [O-]c1cccc(Br)c1CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000706842364 1298223558 /nfs/dbraw/zinc/22/35/58/1298223558.db2.gz CEABOYDAIZCTLY-LBPRGKRZSA-N 0 3 339.277 3.119 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1[O-] ZINC000718249343 1298308578 /nfs/dbraw/zinc/30/85/78/1298308578.db2.gz WRKONYGEDLPEJM-PYHGIMPFSA-N 0 3 338.245 3.072 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1[O-] ZINC000718249343 1298308585 /nfs/dbraw/zinc/30/85/85/1298308585.db2.gz WRKONYGEDLPEJM-PYHGIMPFSA-N 0 3 338.245 3.072 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1[O-] ZINC000895849459 1309559371 /nfs/dbraw/zinc/55/93/71/1309559371.db2.gz WXPJEPUHKNAZPP-IUODEOHRSA-N 0 3 340.261 3.464 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1[O-] ZINC000895849459 1309559378 /nfs/dbraw/zinc/55/93/78/1309559378.db2.gz WXPJEPUHKNAZPP-IUODEOHRSA-N 0 3 340.261 3.464 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)c([O-])c1 ZINC000858483625 1328775538 /nfs/dbraw/zinc/77/55/38/1328775538.db2.gz URIBUXWSEFHYPD-AWEZNQCLSA-N 0 3 343.414 3.308 10 10 EGCEHN C[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000922414587 1322524484 /nfs/dbraw/zinc/52/44/84/1322524484.db2.gz OTTDZOFAHUSNHD-ACJLOTCBSA-N 0 3 345.418 3.022 10 10 EGCEHN CN(C)c1ccc(/C=C/CNCc2cc(C(F)(F)F)nn2C)cc1 ZINC000922712476 1322600093 /nfs/dbraw/zinc/60/00/93/1322600093.db2.gz AQINHNVGTCDKKJ-SNAWJCMRSA-N 0 3 338.377 3.308 10 10 EGCEHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c1[O-] ZINC000926954954 1327795007 /nfs/dbraw/zinc/79/50/07/1327795007.db2.gz JGNIWNWOIIXGOB-LLVKDONJSA-N 0 3 333.881 3.075 10 10 EGCEHN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@H]3CCc4cccc([O-])c43)[C@@H]2C1 ZINC000926986195 1327808668 /nfs/dbraw/zinc/80/86/68/1327808668.db2.gz HMOKYKVSVYWNCV-JONQDZQNSA-N 0 3 344.455 3.082 10 10 EGCEHN COc1cccc([C@@H](O)C2CC[NH+](Cc3ccccc3[O-])CC2)c1 ZINC000862544761 1329495203 /nfs/dbraw/zinc/49/52/03/1329495203.db2.gz UWXPICJOTBJYDC-FQEVSTJZSA-N 0 3 327.424 3.346 10 10 EGCEHN C[C@@H](NC1CN(c2ccncn2)C1)c1ccc(N2CCCCC2)cc1 ZINC000866494821 1330118258 /nfs/dbraw/zinc/11/82/58/1330118258.db2.gz SZJICPKJMINQMA-MRXNPFEDSA-N 0 3 337.471 3.006 10 10 EGCEHN CCC1(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CCCC1 ZINC001134883210 1376766201 /nfs/dbraw/zinc/76/62/01/1376766201.db2.gz ZFWMISOOIQCILY-SFHVURJKSA-N 0 3 331.504 3.442 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)NCC2CC(C)(C)C2)N(C)C)cc1 ZINC001312516173 1384354252 /nfs/dbraw/zinc/35/42/52/1384354252.db2.gz KOUWFRPNSIVZET-GOSISDBHSA-N 0 3 346.519 3.091 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@@]3(C)C(C)C)CC2)cc1C ZINC001733257313 1429408695 /nfs/dbraw/zinc/40/86/95/1429408695.db2.gz KJBMDNYJVTUZEE-PXNSSMCTSA-N 0 3 344.499 3.424 10 10 EGCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000180667308 455222181 /nfs/dbraw/zinc/22/21/81/455222181.db2.gz IJEHCCOOSZPCJL-PXNSSMCTSA-N 0 3 327.424 3.489 10 10 EGCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000180667308 455222185 /nfs/dbraw/zinc/22/21/85/455222185.db2.gz IJEHCCOOSZPCJL-PXNSSMCTSA-N 0 3 327.424 3.489 10 10 EGCEHN C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000159076561 455350034 /nfs/dbraw/zinc/35/00/34/455350034.db2.gz GJTGGTKTLMHUSN-UZLBHIALSA-N 0 3 339.483 3.103 10 10 EGCEHN Fc1cccc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1 ZINC000091675835 454456119 /nfs/dbraw/zinc/45/61/19/454456119.db2.gz XPSKYBVJZBICRI-UHFFFAOYSA-N 0 3 340.446 3.365 10 10 EGCEHN CCOc1ccc([O-])c(C[NH+]2CCC(c3cnn(CC)c3)CC2)c1 ZINC000092809352 454635875 /nfs/dbraw/zinc/63/58/75/454635875.db2.gz CJAXPLJIAXIJPD-UHFFFAOYSA-N 0 3 329.444 3.387 10 10 EGCEHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1[O-] ZINC000184686894 455427991 /nfs/dbraw/zinc/42/79/91/455427991.db2.gz TUJYMLVAHAYELV-CYBMUJFWSA-N 0 3 347.846 3.383 10 10 EGCEHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1[O-] ZINC000184686894 455427995 /nfs/dbraw/zinc/42/79/95/455427995.db2.gz TUJYMLVAHAYELV-CYBMUJFWSA-N 0 3 347.846 3.383 10 10 EGCEHN C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc2c(cc1[O-])CCCC2 ZINC000185025609 455488062 /nfs/dbraw/zinc/48/80/62/455488062.db2.gz XRHPGPQVCQSRMD-AWEZNQCLSA-N 0 3 349.438 3.098 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)c1 ZINC000185477801 455564289 /nfs/dbraw/zinc/56/42/89/455564289.db2.gz VRRJAFAGOJGFPI-OAHLLOKOSA-N 0 3 341.455 3.424 10 10 EGCEHN CN(C)c1ccc(CN2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000193439347 455758997 /nfs/dbraw/zinc/75/89/97/455758997.db2.gz SQFXMSPEPDFXGS-INIZCTEOSA-N 0 3 325.460 3.059 10 10 EGCEHN CC[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccccc1[O-] ZINC000186413524 455762946 /nfs/dbraw/zinc/76/29/46/455762946.db2.gz QZUDLEQYLJJMLM-KRWDZBQOSA-N 0 3 345.418 3.004 10 10 EGCEHN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3c(C)cc(C)cc3[O-])C2)n(C)n1 ZINC000285279127 455817086 /nfs/dbraw/zinc/81/70/86/455817086.db2.gz REKGFWUWVIBCSG-IAGOWNOFSA-N 0 3 342.487 3.371 10 10 EGCEHN C[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cc2c(cc1[O-])CCCC2 ZINC000278899952 455852605 /nfs/dbraw/zinc/85/26/05/455852605.db2.gz FRMUXUGUSITSIU-GJZGRUSLSA-N 0 3 325.456 3.381 10 10 EGCEHN Oc1ccc(-c2ccccc2)cc1CN1CCO[C@@]2(CCCOC2)C1 ZINC000289575616 456131432 /nfs/dbraw/zinc/13/14/32/456131432.db2.gz SUUWQPBRPULOGY-NRFANRHFSA-N 0 3 339.435 3.441 10 10 EGCEHN CCOCc1cc(CNCc2ccc3cncn3c2)ccc1OC ZINC000297555667 456250395 /nfs/dbraw/zinc/25/03/95/456250395.db2.gz QBLKYBSEPAOFPO-UHFFFAOYSA-N 0 3 325.412 3.169 10 10 EGCEHN Cc1ccc([O-])c(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000364726825 457681073 /nfs/dbraw/zinc/68/10/73/457681073.db2.gz YUSKEOAVBOXQSA-GOSISDBHSA-N 0 3 342.483 3.315 10 10 EGCEHN C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(Br)cc1[O-] ZINC000368103814 458010304 /nfs/dbraw/zinc/01/03/04/458010304.db2.gz YWIDCRYXAIQGJD-KOLCDFICSA-N 0 3 336.233 3.086 10 10 EGCEHN C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(Br)cc1[O-] ZINC000368103814 458010311 /nfs/dbraw/zinc/01/03/11/458010311.db2.gz YWIDCRYXAIQGJD-KOLCDFICSA-N 0 3 336.233 3.086 10 10 EGCEHN C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000742386741 576777715 /nfs/dbraw/zinc/77/77/15/576777715.db2.gz AKKZSLAMCVQJSF-MDASCCDHSA-N 0 3 336.435 3.158 10 10 EGCEHN C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000742386740 576777756 /nfs/dbraw/zinc/77/77/56/576777756.db2.gz AKKZSLAMCVQJSF-CCKFTAQKSA-N 0 3 336.435 3.158 10 10 EGCEHN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](c3ncccn3)C2)c1O ZINC000886680977 1303557381 /nfs/dbraw/zinc/55/73/81/1303557381.db2.gz PQWJCMILSAAKTB-CYBMUJFWSA-N 0 3 345.830 3.418 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1[O-] ZINC000895849461 1309558808 /nfs/dbraw/zinc/55/88/08/1309558808.db2.gz WXPJEPUHKNAZPP-SWLSCSKDSA-N 0 3 340.261 3.464 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1[O-] ZINC000895849461 1309558820 /nfs/dbraw/zinc/55/88/20/1309558820.db2.gz WXPJEPUHKNAZPP-SWLSCSKDSA-N 0 3 340.261 3.464 10 10 EGCEHN Cc1cc(C(=O)N[C@H]2CCCN(C)C2)c(C)n1-c1ccc(F)cc1 ZINC000918709225 1321981616 /nfs/dbraw/zinc/98/16/16/1321981616.db2.gz YNTMWONGRPMUFH-INIZCTEOSA-N 0 3 329.419 3.057 10 10 EGCEHN CN(C)c1cc(F)c(CNCC[C@H](N(C)C)C(F)(F)F)cc1F ZINC000922751130 1322609182 /nfs/dbraw/zinc/60/91/82/1322609182.db2.gz LYAXLSYYHDABME-AWEZNQCLSA-N 0 3 339.352 3.003 10 10 EGCEHN CCOCc1cc(CN[C@H]2c3ccccc3CC[C@H]2O)ccc1OC ZINC000922987054 1322669431 /nfs/dbraw/zinc/66/94/31/1322669431.db2.gz BCUMDOBLGLSKOI-CTNGQTDRSA-N 0 3 341.451 3.370 10 10 EGCEHN C[C@@H]1[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CCN1C ZINC000925326069 1325123208 /nfs/dbraw/zinc/12/32/08/1325123208.db2.gz UKZVQRXNWRYXRT-QAPCUYQASA-N 0 3 345.487 3.329 10 10 EGCEHN CC[C@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)c1cc(Cl)ccc1[O-] ZINC000925790994 1325302802 /nfs/dbraw/zinc/30/28/02/1325302802.db2.gz JWXZBXCYTINSCV-HOCLYGCPSA-N 0 3 338.879 3.245 10 10 EGCEHN COC(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])cc1 ZINC000862447630 1329488341 /nfs/dbraw/zinc/48/83/41/1329488341.db2.gz PCUQULVXZNHBOG-UHFFFAOYSA-N 0 3 349.814 3.060 10 10 EGCEHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CO2)CCOCC3)c2c1c(F)ccc2[O-] ZINC000866530755 1330122394 /nfs/dbraw/zinc/12/23/94/1330122394.db2.gz CIMXCQTVYUYICX-IPYPFGDCSA-N 0 3 335.419 3.255 10 10 EGCEHN [O-]c1cc2c(cc1C[N@@H+](Cc1ccccc1F)CC1CC1)[C@@H](O)CO2 ZINC001118531468 1371194183 /nfs/dbraw/zinc/19/41/83/1371194183.db2.gz GWDBWBLDZRANBR-IBGZPJMESA-N 0 3 343.398 3.369 10 10 EGCEHN [O-]c1cc2c(cc1C[N@H+](Cc1ccccc1F)CC1CC1)[C@@H](O)CO2 ZINC001118531468 1371194188 /nfs/dbraw/zinc/19/41/88/1371194188.db2.gz GWDBWBLDZRANBR-IBGZPJMESA-N 0 3 343.398 3.369 10 10 EGCEHN CC(C)[C@]1(C)C[C@@H]1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001229750013 1375885068 /nfs/dbraw/zinc/88/50/68/1375885068.db2.gz BVRGBAXCJNBWGE-BJLQDIEVSA-N 0 3 346.519 3.089 10 10 EGCEHN Cc1ccc(C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)c([O-])c1O ZINC001295754934 1382801594 /nfs/dbraw/zinc/80/15/94/1382801594.db2.gz JRKDKKCJLICJTB-UHFFFAOYSA-N 0 3 340.423 3.295 10 10 EGCEHN Cc1ccc(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c([O-])c1O ZINC001295754934 1382801598 /nfs/dbraw/zinc/80/15/98/1382801598.db2.gz JRKDKKCJLICJTB-UHFFFAOYSA-N 0 3 340.423 3.295 10 10 EGCEHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)N(C)C ZINC001306946796 1383924267 /nfs/dbraw/zinc/92/42/67/1383924267.db2.gz CDBKETRFZLGXAT-ZDUSSCGKSA-N 0 3 327.384 3.188 10 10 EGCEHN CCCCCCN1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001733233767 1429371572 /nfs/dbraw/zinc/37/15/72/1429371572.db2.gz FNHHDOYDXNOZMT-MRXNPFEDSA-N 0 3 345.447 3.233 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)c2cc(C)[nH]c2C)cc1C ZINC001715878684 1420380638 /nfs/dbraw/zinc/38/06/38/1420380638.db2.gz NYKALRVPQOQHOO-WAYWQWQTSA-N 0 3 341.455 3.024 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)[C@H]2CC23CCCC3)cc1C ZINC001715889459 1420384470 /nfs/dbraw/zinc/38/44/70/1420384470.db2.gz IBUCWTGOUQZWMH-DUMMIQTOSA-N 0 3 342.483 3.346 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)c3sccc3C)CC2)cc1C ZINC001723492336 1424441033 /nfs/dbraw/zinc/44/10/33/1424441033.db2.gz WTWOYJVODDKEQA-UHFFFAOYSA-N 0 3 344.480 3.426 10 10 EGCEHN COc1cccc([C@H](C)[NH2+]C[C@]2(C)COc3ccccc3O2)c1[O-] ZINC000527932929 312976231 /nfs/dbraw/zinc/97/62/31/312976231.db2.gz RLRWUNKBHIBKDL-ORAYPTAESA-N 0 3 329.396 3.282 10 10 EGCEHN CCOc1cccc(CNCc2ccc(N3CCCC3)nc2)c1O ZINC000069892625 454155356 /nfs/dbraw/zinc/15/53/56/454155356.db2.gz KPGDINSJEGEHEM-UHFFFAOYSA-N 0 3 327.428 3.076 10 10 EGCEHN Cc1cc([O-])c(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1C ZINC000058296662 454182329 /nfs/dbraw/zinc/18/23/29/454182329.db2.gz OUFWBJBKESVXPI-UHFFFAOYSA-N 0 3 336.439 3.431 10 10 EGCEHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000121047033 454384232 /nfs/dbraw/zinc/38/42/32/454384232.db2.gz WHFHKEJNIOVXIO-UHFFFAOYSA-N 0 3 330.472 3.315 10 10 EGCEHN Cc1ccc([O-])c(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000092644814 454598118 /nfs/dbraw/zinc/59/81/18/454598118.db2.gz ZMQWBRACXHRTBW-UHFFFAOYSA-N 0 3 330.472 3.362 10 10 EGCEHN CCCOc1ccc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)c([O-])c1 ZINC000093864200 454741772 /nfs/dbraw/zinc/74/17/72/454741772.db2.gz ZVAANSUSFGDILU-KRWDZBQOSA-N 0 3 329.444 3.424 10 10 EGCEHN CCCOc1ccc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c([O-])c1 ZINC000093864200 454741774 /nfs/dbraw/zinc/74/17/74/454741774.db2.gz ZVAANSUSFGDILU-KRWDZBQOSA-N 0 3 329.444 3.424 10 10 EGCEHN COc1ccc(CN(C)CCCOc2ccc(N)cc2)cc1OC ZINC000136711930 454752784 /nfs/dbraw/zinc/75/27/84/454752784.db2.gz SNQYEMSDMWTCTI-UHFFFAOYSA-N 0 3 330.428 3.187 10 10 EGCEHN COc1ccc(N2CCCN(Cc3ccc(O)c(OC)c3)CC2)cc1 ZINC000180068845 455127161 /nfs/dbraw/zinc/12/71/61/455127161.db2.gz QBXLIUQSAUYVIU-UHFFFAOYSA-N 0 3 342.439 3.122 10 10 EGCEHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1[O-] ZINC000184700944 455431334 /nfs/dbraw/zinc/43/13/34/455431334.db2.gz CVTGDKBZTKGMLQ-HNNXBMFYSA-N 0 3 335.835 3.224 10 10 EGCEHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c1[O-] ZINC000184700944 455431335 /nfs/dbraw/zinc/43/13/35/455431335.db2.gz CVTGDKBZTKGMLQ-HNNXBMFYSA-N 0 3 335.835 3.224 10 10 EGCEHN CC(=O)c1cc(F)cc(CN2CC[C@@H](CNc3ccccn3)C2)c1[O-] ZINC000175620374 455472070 /nfs/dbraw/zinc/47/20/70/455472070.db2.gz HILPMSCWSUCITP-AWEZNQCLSA-N 0 3 343.402 3.063 10 10 EGCEHN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1[O-] ZINC000175620374 455472072 /nfs/dbraw/zinc/47/20/72/455472072.db2.gz HILPMSCWSUCITP-AWEZNQCLSA-N 0 3 343.402 3.063 10 10 EGCEHN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1[O-] ZINC000175620374 455472076 /nfs/dbraw/zinc/47/20/76/455472076.db2.gz HILPMSCWSUCITP-AWEZNQCLSA-N 0 3 343.402 3.063 10 10 EGCEHN CC(=O)c1cc(F)cc(CN2CC[C@@H](CNc3ccccn3)C2)c1O ZINC000175620374 455472078 /nfs/dbraw/zinc/47/20/78/455472078.db2.gz HILPMSCWSUCITP-AWEZNQCLSA-N 0 3 343.402 3.063 10 10 EGCEHN Cc1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c([O-])c1 ZINC000185408071 455555957 /nfs/dbraw/zinc/55/59/57/455555957.db2.gz LXBMFRMBWVNAAQ-CRAIPNDOSA-N 0 3 326.440 3.051 10 10 EGCEHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)c([O-])c1 ZINC000283900557 455609078 /nfs/dbraw/zinc/60/90/78/455609078.db2.gz CXASXCRMDGVWFH-OAHLLOKOSA-N 0 3 347.480 3.404 10 10 EGCEHN CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccccc3[O-])C2)ncn1 ZINC000248391746 455711947 /nfs/dbraw/zinc/71/19/47/455711947.db2.gz VIKAUABZFBNOSA-GDBMZVCRSA-N 0 3 326.444 3.064 10 10 EGCEHN Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2)n(C)n1 ZINC000278376473 455834528 /nfs/dbraw/zinc/83/45/28/455834528.db2.gz DWLMGRWSSIAABT-CVEARBPZSA-N 0 3 328.460 3.062 10 10 EGCEHN CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1[O-] ZINC000295125054 455839761 /nfs/dbraw/zinc/83/97/61/455839761.db2.gz XTTFWLZJWNVAAI-SJLPKXTDSA-N 0 3 328.412 3.196 10 10 EGCEHN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(C)cc1[O-] ZINC000283515699 456795698 /nfs/dbraw/zinc/79/56/98/456795698.db2.gz ZXPRANCVDSPETN-AYBZRNKSSA-N 0 3 333.472 3.309 10 10 EGCEHN C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(Br)cc1[O-] ZINC000368103815 458009773 /nfs/dbraw/zinc/00/97/73/458009773.db2.gz YWIDCRYXAIQGJD-MWLCHTKSSA-N 0 3 336.233 3.086 10 10 EGCEHN C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(Br)cc1[O-] ZINC000368103815 458009778 /nfs/dbraw/zinc/00/97/78/458009778.db2.gz YWIDCRYXAIQGJD-MWLCHTKSSA-N 0 3 336.233 3.086 10 10 EGCEHN Cc1cc(Cl)cc(C[NH+]2CCC(C)(N3CCOCC3)CC2)c1[O-] ZINC000529664575 459833366 /nfs/dbraw/zinc/83/33/66/459833366.db2.gz RLIUNWLSQAEZOL-UHFFFAOYSA-N 0 3 338.879 3.041 10 10 EGCEHN C[C@H]1CCC[C@H](C)N1CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000730825832 575025865 /nfs/dbraw/zinc/02/58/65/575025865.db2.gz HOEBYKDPHGGPPP-IRXDYDNUSA-N 0 3 346.519 3.157 10 10 EGCEHN CCOc1cccc(CN2CCN(c3ccc(OC)cc3)CC2)c1O ZINC000179943079 1294843517 /nfs/dbraw/zinc/84/35/17/1294843517.db2.gz KCXRNRPAYQEKFT-UHFFFAOYSA-N 0 3 342.439 3.122 10 10 EGCEHN CCOC(=O)c1sc([C@H]2CC[N@H+](Cc3ccccc3[O-])C2)nc1C ZINC000895585736 1309415409 /nfs/dbraw/zinc/41/54/09/1309415409.db2.gz YZTZHJJRYJEKFB-AWEZNQCLSA-N 0 3 346.452 3.323 10 10 EGCEHN CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)nc1C ZINC000895585736 1309415412 /nfs/dbraw/zinc/41/54/12/1309415412.db2.gz YZTZHJJRYJEKFB-AWEZNQCLSA-N 0 3 346.452 3.323 10 10 EGCEHN C[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@@](C)(O)c1ccccc1 ZINC000858183563 1328705831 /nfs/dbraw/zinc/70/58/31/1328705831.db2.gz ATEKMHBHUQGHBA-ORAYPTAESA-N 0 3 334.410 3.417 10 10 EGCEHN O=[N+]([O-])c1cc(CN[C@H]2CO[C@H](C3CC3)C2)ccc1N1CCCCC1 ZINC000858296452 1328732001 /nfs/dbraw/zinc/73/20/01/1328732001.db2.gz TVSLUPBEFUPNMX-APWZRJJASA-N 0 3 345.443 3.242 10 10 EGCEHN Cc1cc(C(=O)N[C@H]2CCCN(C)C2)c(C)n1-c1ccccc1C ZINC000918709196 1321981839 /nfs/dbraw/zinc/98/18/39/1321981839.db2.gz XJHOKDXHPJWAJH-KRWDZBQOSA-N 0 3 325.456 3.227 10 10 EGCEHN COC(=O)c1cc2ccccc2c(CN2C[C@@H](C)OC(C)(C)C2)c1O ZINC000920864419 1322229000 /nfs/dbraw/zinc/22/90/00/1322229000.db2.gz VUSBQWDPWZOXHJ-CYBMUJFWSA-N 0 3 343.423 3.331 10 10 EGCEHN C[C@H]1[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CCN1C ZINC000925326067 1325123080 /nfs/dbraw/zinc/12/30/80/1325123080.db2.gz UKZVQRXNWRYXRT-MAUKXSAKSA-N 0 3 345.487 3.329 10 10 EGCEHN COc1ccc(N2CC[C@@H](N[C@H](C)c3cn4c(n3)CCCC4)C2)cc1 ZINC000926680599 1327663980 /nfs/dbraw/zinc/66/39/80/1327663980.db2.gz PTXYQZDFGIITPF-HZPDHXFCSA-N 0 3 340.471 3.158 10 10 EGCEHN COc1cccc([C@H](C)NCc2cc(C(F)(F)F)nn2C)c1O ZINC000926928376 1327780950 /nfs/dbraw/zinc/78/09/50/1327780950.db2.gz ZATUNXPVKLENKX-VIFPVBQESA-N 0 3 329.322 3.004 10 10 EGCEHN CCCCCCN(C)CC(=O)NCc1ccc2cccnc2c1O ZINC000862028400 1329456068 /nfs/dbraw/zinc/45/60/68/1329456068.db2.gz YCHWPUIFIQJCST-UHFFFAOYSA-N 0 3 329.444 3.069 10 10 EGCEHN C[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cc(Br)c(F)cc1[O-] ZINC000863544862 1329562225 /nfs/dbraw/zinc/56/22/25/1329562225.db2.gz CYXHNCQMCVHWDF-UTLUCORTSA-N 0 3 331.229 3.085 10 10 EGCEHN C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000863544862 1329562228 /nfs/dbraw/zinc/56/22/28/1329562228.db2.gz CYXHNCQMCVHWDF-UTLUCORTSA-N 0 3 331.229 3.085 10 10 EGCEHN CC1(c2ccc(C[NH2+][C@@H]3CCc4cccc([O-])c43)cc2)OCCO1 ZINC000866422363 1330109772 /nfs/dbraw/zinc/10/97/72/1330109772.db2.gz CDLNLBWTWYCGBS-QGZVFWFLSA-N 0 3 325.408 3.389 10 10 EGCEHN C[C@H](N[C@H]1CCCn2nccc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000866631988 1330136006 /nfs/dbraw/zinc/13/60/06/1330136006.db2.gz HHKPNMVFXJPPLK-YOEHRIQHSA-N 0 3 344.434 3.045 10 10 EGCEHN Cc1cc(C)c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC001134881749 1376765349 /nfs/dbraw/zinc/76/53/49/1376765349.db2.gz GIXHROXZXHISSZ-QGZVFWFLSA-N 0 3 345.512 3.464 10 10 EGCEHN CN(CC(=O)N(C)Cc1ccc(N2CCCC2)cc1)CC(C)(C)C ZINC001136025615 1377302817 /nfs/dbraw/zinc/30/28/17/1377302817.db2.gz QVZYLKZNEJWQRT-UHFFFAOYSA-N 0 3 331.504 3.223 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@]3(C)C=CCC3)CC2)cc1C ZINC001733253315 1429402349 /nfs/dbraw/zinc/40/23/49/1429402349.db2.gz UCTUFRXXHQKMIW-LJQANCHMSA-N 0 3 328.456 3.098 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)Cc2ccsc2)cc1C ZINC001716265621 1420588420 /nfs/dbraw/zinc/58/84/20/1420588420.db2.gz PEOJVQOOBXVRSM-ONEGZZNKSA-N 0 3 344.480 3.070 10 10 EGCEHN Cc1ccsc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000071825307 454226197 /nfs/dbraw/zinc/22/61/97/454226197.db2.gz KODAGEIWFOSEDN-UHFFFAOYSA-N 0 3 334.460 3.447 10 10 EGCEHN COc1ccc(N2CCC(NCc3cnn(C(C)(C)C)c3)CC2)cc1 ZINC000071924585 454260167 /nfs/dbraw/zinc/26/01/67/454260167.db2.gz GIPATUGWOUCVER-UHFFFAOYSA-N 0 3 342.487 3.405 10 10 EGCEHN COc1cc(O)c(CN2CC3(CCCC3)OC(C)(C)C2)cc1OC ZINC000190462168 455323299 /nfs/dbraw/zinc/32/32/99/455323299.db2.gz JOWIJBWXBKLYEP-UHFFFAOYSA-N 0 3 335.444 3.333 10 10 EGCEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC000184241429 455365675 /nfs/dbraw/zinc/36/56/75/455365675.db2.gz AJZRTICHVCQBQP-CWRNSKLLSA-N 0 3 332.444 3.127 10 10 EGCEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC000184241429 455365680 /nfs/dbraw/zinc/36/56/80/455365680.db2.gz AJZRTICHVCQBQP-CWRNSKLLSA-N 0 3 332.444 3.127 10 10 EGCEHN CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000185059955 455494025 /nfs/dbraw/zinc/49/40/25/455494025.db2.gz AHOBGVSWSFEXSL-RYUDHWBXSA-N 0 3 327.266 3.147 10 10 EGCEHN C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000185172989 455515810 /nfs/dbraw/zinc/51/58/10/455515810.db2.gz IKDNPLFBSGKDRD-CQSZACIVSA-N 0 3 342.414 3.487 10 10 EGCEHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C12CCOCC2 ZINC000186317774 455741462 /nfs/dbraw/zinc/74/14/62/455741462.db2.gz AVDNVORTVXFZPI-DOPJRALCSA-N 0 3 335.444 3.026 10 10 EGCEHN CN(C)c1ccc(CN2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000193439363 455759024 /nfs/dbraw/zinc/75/90/24/455759024.db2.gz SQFXMSPEPDFXGS-MRXNPFEDSA-N 0 3 325.460 3.059 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294739899 455825851 /nfs/dbraw/zinc/82/58/51/455825851.db2.gz HCCQVMLUEOFOEU-CYBMUJFWSA-N 0 3 338.879 3.468 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294739899 455825856 /nfs/dbraw/zinc/82/58/56/455825856.db2.gz HCCQVMLUEOFOEU-CYBMUJFWSA-N 0 3 338.879 3.468 10 10 EGCEHN Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc(C)ccc3[O-])C2)n(C)n1 ZINC000278467388 455836652 /nfs/dbraw/zinc/83/66/52/455836652.db2.gz NHRULWKCQSEWBC-CVEARBPZSA-N 0 3 328.460 3.062 10 10 EGCEHN CC[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@@H](O)C(F)F ZINC000295062767 455837600 /nfs/dbraw/zinc/83/76/00/455837600.db2.gz OMLPXSSACZPHJX-CHWSQXEVSA-N 0 3 340.336 3.266 10 10 EGCEHN CCOc1ccc(O)c(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000289247968 456118830 /nfs/dbraw/zinc/11/88/30/456118830.db2.gz FBENZDLMSMUJQR-HNNXBMFYSA-N 0 3 333.350 3.070 10 10 EGCEHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000277252078 456745696 /nfs/dbraw/zinc/74/56/96/456745696.db2.gz AGPYVFLRHKEWMD-GDBMZVCRSA-N 0 3 334.460 3.436 10 10 EGCEHN Cc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1[O-] ZINC000364720329 457679417 /nfs/dbraw/zinc/67/94/17/457679417.db2.gz CRXHRQJYALLJJH-SFHVURJKSA-N 0 3 342.483 3.315 10 10 EGCEHN CC[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000376020185 458165980 /nfs/dbraw/zinc/16/59/80/458165980.db2.gz DYLHYARPKGOPLF-SFTDATJTSA-N 0 3 344.499 3.447 10 10 EGCEHN Cc1cc(Br)cc([C@H](C)N[C@H]2CC[NH2+]C23CCC3)c1[O-] ZINC000530217245 458720057 /nfs/dbraw/zinc/72/00/57/458720057.db2.gz SJPAETLHJXJWTF-FZMZJTMJSA-N 0 3 339.277 3.398 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+]CC[C@@H]2CCCOC2)c1[O-] ZINC000529637249 459831785 /nfs/dbraw/zinc/83/17/85/459831785.db2.gz QOCBUPSOZBHKSO-LBPRGKRZSA-N 0 3 328.250 3.369 10 10 EGCEHN COc1ccc(O)c([C@H](C)NC(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1 ZINC000730825500 575025798 /nfs/dbraw/zinc/02/57/98/575025798.db2.gz DYRYMEWGJAKMMN-ZNMIVQPWSA-N 0 3 349.475 3.024 10 10 EGCEHN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1 ZINC000732034715 575232681 /nfs/dbraw/zinc/23/26/81/575232681.db2.gz GYJGDCLTXFHHPQ-HXUWFJFHSA-N 0 3 337.467 3.403 10 10 EGCEHN CC(C)n1cc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000732820964 575289660 /nfs/dbraw/zinc/28/96/60/575289660.db2.gz QVBRJEZRVDTQDY-MRXNPFEDSA-N 0 3 328.460 3.151 10 10 EGCEHN CNC(=O)c1cccc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000733841355 575399429 /nfs/dbraw/zinc/39/94/29/575399429.db2.gz BPCTXLHSMCZLDB-UHFFFAOYSA-N 0 3 337.467 3.277 10 10 EGCEHN COc1cc(F)ccc1N1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000734475023 575497065 /nfs/dbraw/zinc/49/70/65/575497065.db2.gz GIZKEPULIHRVOQ-UHFFFAOYSA-N 0 3 344.430 3.479 10 10 EGCEHN Cc1cc(N(C)C)ccc1CNC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000734528759 575509753 /nfs/dbraw/zinc/50/97/53/575509753.db2.gz CROOCMGFWKQESR-IAGOWNOFSA-N 0 3 346.519 3.123 10 10 EGCEHN CN(C)c1ccc(CNC(=O)CN2CCC3(C2)CCCCC3)cc1 ZINC000741807684 576724221 /nfs/dbraw/zinc/72/42/21/576724221.db2.gz KHGGIPBYSZLUJO-UHFFFAOYSA-N 0 3 329.488 3.025 10 10 EGCEHN CCC1(O)CC[NH+](Cc2c([O-])c(C(=O)OC)cc3ccccc32)CC1 ZINC000742171224 576755239 /nfs/dbraw/zinc/75/52/39/576755239.db2.gz ITZAKKNUCPYGFW-UHFFFAOYSA-N 0 3 343.423 3.069 10 10 EGCEHN COc1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c([O-])c1 ZINC000179753916 1294823450 /nfs/dbraw/zinc/82/34/50/1294823450.db2.gz DGALYDWKBDIMQR-UHFFFAOYSA-N 0 3 346.471 3.015 10 10 EGCEHN COc1ccc(N2CC[C@@H](N[C@H](C)c3cc(O)ccc3F)C2)cc1 ZINC000872085068 1296725190 /nfs/dbraw/zinc/72/51/90/1296725190.db2.gz NCRQJYLBHXTSDG-ZIAGYGMSSA-N 0 3 330.403 3.469 10 10 EGCEHN CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(C)cc1[O-] ZINC000872118489 1296743430 /nfs/dbraw/zinc/74/34/30/1296743430.db2.gz AOSBEEFDAKNIMF-BTFYYFJDSA-N 0 3 337.485 3.097 10 10 EGCEHN COC(=O)c1c(CN(C)[C@@H]2CCSC2)c2cc(F)ccc2n1C ZINC000893929032 1306133821 /nfs/dbraw/zinc/13/38/21/1306133821.db2.gz KNDIRZQSLBBTPC-GFCCVEGCSA-N 0 3 336.432 3.041 10 10 EGCEHN [O-]c1ccccc1C[N@H+](Cc1[nH]nc2c1COCC2)C1CCCC1 ZINC000929635415 1328652956 /nfs/dbraw/zinc/65/29/56/1328652956.db2.gz JHZSBTJGCJXJBY-UHFFFAOYSA-N 0 3 327.428 3.133 10 10 EGCEHN [O-]c1ccccc1C[N@@H+](Cc1[nH]nc2c1COCC2)C1CCCC1 ZINC000929635415 1328652960 /nfs/dbraw/zinc/65/29/60/1328652960.db2.gz JHZSBTJGCJXJBY-UHFFFAOYSA-N 0 3 327.428 3.133 10 10 EGCEHN CC[C@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccccc1[O-] ZINC000858483428 1328775550 /nfs/dbraw/zinc/77/55/50/1328775550.db2.gz MAHWFGZTIONIDV-HNNXBMFYSA-N 0 3 343.414 3.390 10 10 EGCEHN C[C@H](N[C@@H](C)c1ccc(F)nc1)c1ccc(N2CCOCC2)cc1 ZINC000930210570 1328812721 /nfs/dbraw/zinc/81/27/21/1328812721.db2.gz OHKFPNFDDXTVPZ-GJZGRUSLSA-N 0 3 329.419 3.469 10 10 EGCEHN C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Br)cc1[O-] ZINC000925779994 1325299014 /nfs/dbraw/zinc/29/90/14/1325299014.db2.gz DARFVROAOYSERX-VHSXEESVSA-N 0 3 349.219 3.050 10 10 EGCEHN CC[C@H]([NH2+]CCc1ccccc1S(=O)(=O)CC)c1ccccc1[O-] ZINC000926908486 1327769707 /nfs/dbraw/zinc/76/97/07/1327769707.db2.gz LBBAQCSCPIXYPB-KRWDZBQOSA-N 0 3 347.480 3.469 10 10 EGCEHN O=C1C[C@@H](CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CN1 ZINC000926977101 1327805267 /nfs/dbraw/zinc/80/52/67/1327805267.db2.gz CKWPTHPUEPFZGK-MJGOQNOKSA-N 0 3 338.451 3.182 10 10 EGCEHN CCC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000927025902 1327823747 /nfs/dbraw/zinc/82/37/47/1327823747.db2.gz YXEFSJSYCXXHRR-PWSUYJOCSA-N 0 3 346.265 3.365 10 10 EGCEHN C[C@H]1C[C@@H](N(C)Cc2c([O-])cccc2Br)CC[N@H+]1C ZINC000862248593 1329470988 /nfs/dbraw/zinc/47/09/88/1329470988.db2.gz NNSCHSCZUZXNJW-RYUDHWBXSA-N 0 3 327.266 3.069 10 10 EGCEHN C[C@H]1C[C@@H](N(C)Cc2c([O-])cccc2Br)CC[N@@H+]1C ZINC000862248593 1329470987 /nfs/dbraw/zinc/47/09/87/1329470987.db2.gz NNSCHSCZUZXNJW-RYUDHWBXSA-N 0 3 327.266 3.069 10 10 EGCEHN C[C@@H]1C[C@@H](N(C)Cc2c([O-])cccc2Br)CC[N@@H+]1C ZINC000862248591 1329471143 /nfs/dbraw/zinc/47/11/43/1329471143.db2.gz NNSCHSCZUZXNJW-NEPJUHHUSA-N 0 3 327.266 3.069 10 10 EGCEHN C[C@@H]1C[C@@H](N(C)Cc2c([O-])cccc2Br)CC[N@H+]1C ZINC000862248591 1329471146 /nfs/dbraw/zinc/47/11/46/1329471146.db2.gz NNSCHSCZUZXNJW-NEPJUHHUSA-N 0 3 327.266 3.069 10 10 EGCEHN C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000863546238 1329562577 /nfs/dbraw/zinc/56/25/77/1329562577.db2.gz KFFBWJWCCKLSJR-FXPVBKGRSA-N 0 3 331.229 3.085 10 10 EGCEHN C[C@@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1cc(Br)cc(F)c1[O-] ZINC000863546238 1329562580 /nfs/dbraw/zinc/56/25/80/1329562580.db2.gz KFFBWJWCCKLSJR-FXPVBKGRSA-N 0 3 331.229 3.085 10 10 EGCEHN CCC[C@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000866414222 1330108859 /nfs/dbraw/zinc/10/88/59/1330108859.db2.gz ARUATSYAAGVSPU-ZYHUDNBSSA-N 0 3 346.265 3.365 10 10 EGCEHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000868449151 1330281768 /nfs/dbraw/zinc/28/17/68/1330281768.db2.gz UGGLLCPNMPFACG-UCLAIMLFSA-N 0 3 339.439 3.198 10 10 EGCEHN CC[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC001192451701 1367785081 /nfs/dbraw/zinc/78/50/81/1367785081.db2.gz AIIYXTJNYGXBFT-LJQANCHMSA-N 0 3 343.446 3.249 10 10 EGCEHN CCOc1ccc(N2CCN(C[C@@H](O)CC3CCCC3)CC2)cc1 ZINC001116755760 1370968084 /nfs/dbraw/zinc/96/80/84/1370968084.db2.gz UCFMDAQZVNTKNK-IBGZPJMESA-N 0 3 332.488 3.149 10 10 EGCEHN C[C@@H]1CC[C@H](CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001134686377 1376658355 /nfs/dbraw/zinc/65/83/55/1376658355.db2.gz IPUPEXTVKIUVNA-GJYPPUQNSA-N 0 3 331.504 3.298 10 10 EGCEHN CC(C)[C@]1(C)C[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134686140 1376658550 /nfs/dbraw/zinc/65/85/50/1376658550.db2.gz BCOVXFRLXQPHEE-HBFSDRIKSA-N 0 3 331.504 3.154 10 10 EGCEHN CC1CCN(c2ccc(CNC(=O)C3(N(C)C)CCCC3)cc2)CC1 ZINC001136705394 1377416443 /nfs/dbraw/zinc/41/64/43/1377416443.db2.gz LCYFDEOKVZSRTQ-UHFFFAOYSA-N 0 3 343.515 3.414 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)N(C)CC2CCCC2)N(C)C)cc1 ZINC001313419903 1384416824 /nfs/dbraw/zinc/41/68/24/1384416824.db2.gz VJPXGIWTDOBWPT-IBGZPJMESA-N 0 3 346.519 3.187 10 10 EGCEHN [O-]c1c(O)cc2c(c1Br)CC[NH2+]C[C@@H]2c1ccccc1 ZINC000003792506 210075669 /nfs/dbraw/zinc/07/56/69/210075669.db2.gz XKTGLDSNABUNGD-CYBMUJFWSA-N 0 3 334.213 3.138 10 10 EGCEHN CCCOc1ccc(C[NH+]2CCC(Cc3nccn3C)CC2)c([O-])c1 ZINC000121792995 454478026 /nfs/dbraw/zinc/47/80/26/454478026.db2.gz HFSIAIVZHQPSBG-UHFFFAOYSA-N 0 3 343.471 3.369 10 10 EGCEHN CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000174133480 455362901 /nfs/dbraw/zinc/36/29/01/455362901.db2.gz QPDOPYWBHHYWQB-APWZRJJASA-N 0 3 346.519 3.157 10 10 EGCEHN COc1ccc([O-])c(C[NH2+]CCc2cccc(C(F)(F)F)n2)c1 ZINC000294023113 455802979 /nfs/dbraw/zinc/80/29/79/455802979.db2.gz VAVBXDPOAXWRCF-UHFFFAOYSA-N 0 3 326.318 3.147 10 10 EGCEHN CC[C@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1)c1ccccc1[O-] ZINC000278416080 455834652 /nfs/dbraw/zinc/83/46/52/455834652.db2.gz IEADKOFDYDMSJA-WBVHZDCISA-N 0 3 328.460 3.144 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000295089858 455838712 /nfs/dbraw/zinc/83/87/12/455838712.db2.gz SXWGMZCQODPZAN-ZBQZNYHESA-N 0 3 328.412 3.367 10 10 EGCEHN Cc1cc(C(=O)NCc2ccc3c(c2)CNC3)c(C)n1-c1ccccn1 ZINC000188754116 456128523 /nfs/dbraw/zinc/12/85/23/456128523.db2.gz HXDOEMGLHQBNAJ-UHFFFAOYSA-N 0 3 346.434 3.022 10 10 EGCEHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1CCN(C)CC1 ZINC000291388180 456628854 /nfs/dbraw/zinc/62/88/54/456628854.db2.gz CDITXZIEZKBQJV-UHFFFAOYSA-N 0 3 331.504 3.222 10 10 EGCEHN Cc1cc(Br)cc(CN2CCC[C@]23CCOC3)c1O ZINC000367040815 457924363 /nfs/dbraw/zinc/92/43/63/457924363.db2.gz NOLHOPRGBMJGAZ-OAHLLOKOSA-N 0 3 326.234 3.218 10 10 EGCEHN COc1cc([O-])c(C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)cc1OC ZINC000371469760 457948227 /nfs/dbraw/zinc/94/82/27/457948227.db2.gz GNWCYUUZTPOQBL-ACJLOTCBSA-N 0 3 343.423 3.233 10 10 EGCEHN COc1cc([O-])c(C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)cc1OC ZINC000371469760 457948233 /nfs/dbraw/zinc/94/82/33/457948233.db2.gz GNWCYUUZTPOQBL-ACJLOTCBSA-N 0 3 343.423 3.233 10 10 EGCEHN COc1cc([O-])c(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1OC ZINC000367955999 458001431 /nfs/dbraw/zinc/00/14/31/458001431.db2.gz LNFRVPOGLQNBMS-AEFFLSMTSA-N 0 3 343.423 3.419 10 10 EGCEHN Oc1cc2c(cc1CN1CCC[C@]3(C1)OCc1ccccc13)OCO2 ZINC000373450133 458495463 /nfs/dbraw/zinc/49/54/63/458495463.db2.gz ZAUHXRBLDNPXRS-HXUWFJFHSA-N 0 3 339.391 3.142 10 10 EGCEHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@]3(C1)OCc1ccccc13)OCO2 ZINC000373450133 458495465 /nfs/dbraw/zinc/49/54/65/458495465.db2.gz ZAUHXRBLDNPXRS-HXUWFJFHSA-N 0 3 339.391 3.142 10 10 EGCEHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@]3(C1)OCc1ccccc13)OCO2 ZINC000373450133 458495469 /nfs/dbraw/zinc/49/54/69/458495469.db2.gz ZAUHXRBLDNPXRS-HXUWFJFHSA-N 0 3 339.391 3.142 10 10 EGCEHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000373464761 458500435 /nfs/dbraw/zinc/50/04/35/458500435.db2.gz HMBBZDBJIMCFHW-SFHVURJKSA-N 0 3 339.435 3.440 10 10 EGCEHN [O-]c1cc(OCc2ccccc2)ccc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530178855 458710063 /nfs/dbraw/zinc/71/00/63/458710063.db2.gz RTWQWVMVCIEWAE-FQEVSTJZSA-N 0 3 338.451 3.345 10 10 EGCEHN CC[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1[O-] ZINC000530215569 458720257 /nfs/dbraw/zinc/72/02/57/458720257.db2.gz HNOQKZMFUFUJQX-UKRRQHHQSA-N 0 3 339.277 3.480 10 10 EGCEHN COc1cc(Br)cc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1[O-] ZINC000527806612 459744221 /nfs/dbraw/zinc/74/42/21/459744221.db2.gz YGENNFZAJLBUQV-YCWTYVPXSA-N 0 3 344.249 3.065 10 10 EGCEHN COc1ccc(O)c([C@H](C)NC[C@H](n2cccn2)C(F)(F)F)c1 ZINC000527939327 459777441 /nfs/dbraw/zinc/77/74/41/459777441.db2.gz NVQYJTBKXIUFHA-HZMBPMFUSA-N 0 3 329.322 3.052 10 10 EGCEHN COc1ccc(CN2CC[C@H]2C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000527971454 459785790 /nfs/dbraw/zinc/78/57/90/459785790.db2.gz SIDVHNSKWWIPAZ-WBVHZDCISA-N 0 3 326.440 3.326 10 10 EGCEHN C[C@H]1C[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)c2c1c(F)ccc2[O-] ZINC000528015725 459796753 /nfs/dbraw/zinc/79/67/53/459796753.db2.gz MNBUDVUDUJBOEJ-JSGCOSHPSA-N 0 3 334.435 3.318 10 10 EGCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[O-] ZINC000742164904 576754188 /nfs/dbraw/zinc/75/41/88/576754188.db2.gz PPAYKXLDYQLCPY-CALCHBBNSA-N 0 3 325.408 3.420 10 10 EGCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[O-] ZINC000742164904 576754190 /nfs/dbraw/zinc/75/41/90/576754190.db2.gz PPAYKXLDYQLCPY-CALCHBBNSA-N 0 3 325.408 3.420 10 10 EGCEHN O=C1CC2(CCC2)[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CCN1 ZINC000895929065 1309597567 /nfs/dbraw/zinc/59/75/67/1309597567.db2.gz UVXTWPCKSOMCTN-UHFFFAOYSA-N 0 3 336.435 3.304 10 10 EGCEHN O=C1CC2(CCC2)[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CCN1 ZINC000895929065 1309597572 /nfs/dbraw/zinc/59/75/72/1309597572.db2.gz UVXTWPCKSOMCTN-UHFFFAOYSA-N 0 3 336.435 3.304 10 10 EGCEHN CC(=O)NCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179642755 1294809519 /nfs/dbraw/zinc/80/95/19/1294809519.db2.gz AOVOJKXTRYAJDK-INIZCTEOSA-N 0 3 326.440 3.482 10 10 EGCEHN CC(=O)NCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179642755 1294809527 /nfs/dbraw/zinc/80/95/27/1294809527.db2.gz AOVOJKXTRYAJDK-INIZCTEOSA-N 0 3 326.440 3.482 10 10 EGCEHN COc1cc(C)cc(CN[C@H](c2ccncc2)C2(CO)CCC2)c1O ZINC000895358946 1309299632 /nfs/dbraw/zinc/29/96/32/1309299632.db2.gz IFACSFFOALJKLX-LJQANCHMSA-N 0 3 342.439 3.098 10 10 EGCEHN Fc1cc(CN2CC[C@H](c3nccs3)C2)ccc1N1CCOCC1 ZINC000895583976 1309414154 /nfs/dbraw/zinc/41/41/54/1309414154.db2.gz NNGBCFHUQKNASJ-HNNXBMFYSA-N 0 3 347.459 3.108 10 10 EGCEHN CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000858503966 1328781752 /nfs/dbraw/zinc/78/17/52/1328781752.db2.gz JNVJPKWYZXLROD-RJIBLYRGSA-N 0 3 344.249 3.381 10 10 EGCEHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCO[C@@H]2c2nc(C)no2)cc1 ZINC000858592277 1328803776 /nfs/dbraw/zinc/80/37/76/1328803776.db2.gz XLIOWVGDYOCKSP-VUCTXSBTSA-N 0 3 330.432 3.015 10 10 EGCEHN COc1ccc(N2CC[C@H](NCc3cc(C)cnc3Cl)C2)cc1 ZINC000922237409 1322485218 /nfs/dbraw/zinc/48/52/18/1322485218.db2.gz JXAGAUJTMFYVLZ-HNNXBMFYSA-N 0 3 331.847 3.421 10 10 EGCEHN CC[C@H](C)N[C@@H](CNC(=O)NCc1c(O)cccc1F)c1ccco1 ZINC000922423671 1322526334 /nfs/dbraw/zinc/52/63/34/1322526334.db2.gz HNNPUTNHWDVFFN-WFASDCNBSA-N 0 3 349.406 3.053 10 10 EGCEHN CN(C)c1cc(F)c(CNC[C@H]2CC[C@H](C(F)(F)F)O2)cc1F ZINC000922454093 1322531207 /nfs/dbraw/zinc/53/12/07/1322531207.db2.gz BCGPHEFTMVWVFN-QMTHXVAHSA-N 0 3 338.320 3.230 10 10 EGCEHN COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cc([O-])cc(F)c3)C2)cc1 ZINC000926680449 1327662991 /nfs/dbraw/zinc/66/29/91/1327662991.db2.gz OLDAEPAZDVDFOO-CZUORRHYSA-N 0 3 330.403 3.469 10 10 EGCEHN COc1cccc([C@@H](C)NCc2cc(C(F)(F)F)nn2C)c1O ZINC000926928375 1327780886 /nfs/dbraw/zinc/78/08/86/1327780886.db2.gz ZATUNXPVKLENKX-SECBINFHSA-N 0 3 329.322 3.004 10 10 EGCEHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1[O-] ZINC000927037908 1327826874 /nfs/dbraw/zinc/82/68/74/1327826874.db2.gz GQMKXYXCRNJZSC-NDNKKMJESA-N 0 3 343.876 3.113 10 10 EGCEHN Cc1ccc([O-])c(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000862478647 1329489530 /nfs/dbraw/zinc/48/95/30/1329489530.db2.gz KYGUCXLKWAWTPA-IBGZPJMESA-N 0 3 334.460 3.437 10 10 EGCEHN C[C@@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000866516753 1330120868 /nfs/dbraw/zinc/12/08/68/1330120868.db2.gz HCNXEQNJJRBHLM-XNRPHZJLSA-N 0 3 349.427 3.187 10 10 EGCEHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CN(C)CC1(C)C ZINC001303989987 1383819556 /nfs/dbraw/zinc/81/95/56/1383819556.db2.gz VHWDEZKXKFROBO-IBGZPJMESA-N 0 3 339.483 3.473 10 10 EGCEHN C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1[O-] ZINC001308010416 1384074733 /nfs/dbraw/zinc/07/47/33/1384074733.db2.gz NDFYXNKKHAFUTQ-JTQLQIEISA-N 0 3 349.774 3.243 10 10 EGCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@H](OC)C2)c1[O-] ZINC001332947334 1390221522 /nfs/dbraw/zinc/22/15/22/1390221522.db2.gz WVJVAHFWIVDMHU-DLOVCJGASA-N 0 3 344.249 3.381 10 10 EGCEHN [O-]c1ccc(Br)cc1C[NH+]1CC(CC2CCOCC2)C1 ZINC001353606708 1392049345 /nfs/dbraw/zinc/04/93/45/1392049345.db2.gz SXIWFAWUSUDKOG-UHFFFAOYSA-N 0 3 340.261 3.403 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)c2occc2Cl)cc1C ZINC001497672767 1396777678 /nfs/dbraw/zinc/77/76/78/1396777678.db2.gz VDVPNFNKNCGYLF-ARJAWSKDSA-N 0 3 348.830 3.326 10 10 EGCEHN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000093690493 454729618 /nfs/dbraw/zinc/72/96/18/454729618.db2.gz NBYFCBVBXHHRIT-HNNXBMFYSA-N 0 3 349.228 3.203 10 10 EGCEHN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000093690493 454729624 /nfs/dbraw/zinc/72/96/24/454729624.db2.gz NBYFCBVBXHHRIT-HNNXBMFYSA-N 0 3 349.228 3.203 10 10 EGCEHN COc1ccc(N2CCC(NCc3nccn3CC(C)C)CC2)cc1 ZINC000164800079 454889649 /nfs/dbraw/zinc/88/96/49/454889649.db2.gz IRVAMCWGCYMWOY-UHFFFAOYSA-N 0 3 342.487 3.306 10 10 EGCEHN C[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000152358928 455107055 /nfs/dbraw/zinc/10/70/55/455107055.db2.gz ZPRVVZKTVBEJQX-GDBMZVCRSA-N 0 3 333.451 3.087 10 10 EGCEHN CC[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1[O-] ZINC000156969288 455159317 /nfs/dbraw/zinc/15/93/17/455159317.db2.gz DNXXRWPHJRBGTL-BJLQDIEVSA-N 0 3 340.467 3.068 10 10 EGCEHN Cc1cc(Cl)cc(C[NH+]2CCC(N3CCCCC3=O)CC2)c1[O-] ZINC000180522783 455188782 /nfs/dbraw/zinc/18/87/82/455188782.db2.gz HEDJZSHBDMHNAU-UHFFFAOYSA-N 0 3 336.863 3.331 10 10 EGCEHN COc1cc(Cl)cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1[O-] ZINC000184696734 455430245 /nfs/dbraw/zinc/43/02/45/455430245.db2.gz IVDKAEBTTNANEG-CXAGYDPISA-N 0 3 325.836 3.181 10 10 EGCEHN COc1cc(Cl)cc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1[O-] ZINC000184696734 455430247 /nfs/dbraw/zinc/43/02/47/455430247.db2.gz IVDKAEBTTNANEG-CXAGYDPISA-N 0 3 325.836 3.181 10 10 EGCEHN CCN(CC)c1ccc(CN[C@@H](C)c2cc(OC)ccc2O)cn1 ZINC000185085242 455499337 /nfs/dbraw/zinc/49/93/37/455499337.db2.gz JKIPUBDCXAQALZ-AWEZNQCLSA-N 0 3 329.444 3.493 10 10 EGCEHN Cc1cc(O)c(CN[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1C ZINC000191771096 455518202 /nfs/dbraw/zinc/51/82/02/455518202.db2.gz VGUAAEODYPKCGX-SFHVURJKSA-N 0 3 342.414 3.039 10 10 EGCEHN Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc(Br)ccc2[O-])n[nH]1 ZINC000186130441 455699118 /nfs/dbraw/zinc/69/91/18/455699118.db2.gz OYIXOTVWKQHLHG-MWLCHTKSSA-N 0 3 338.249 3.468 10 10 EGCEHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c([O-])c1 ZINC000283729228 456831296 /nfs/dbraw/zinc/83/12/96/456831296.db2.gz BYXZLIHFWLMWQY-FRQCXROJSA-N 0 3 333.472 3.227 10 10 EGCEHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000372772825 458331647 /nfs/dbraw/zinc/33/16/47/458331647.db2.gz NNFVLEGQIOHNIW-MRXNPFEDSA-N 0 3 329.444 3.215 10 10 EGCEHN COc1cccc(CN2CCN(Cc3ccccc3)C[C@@H]2C)c1O ZINC000093325049 1292916977 /nfs/dbraw/zinc/91/69/77/1292916977.db2.gz NDGSSPDTJWPGAW-INIZCTEOSA-N 0 3 326.440 3.107 10 10 EGCEHN CC1([NH+]2CCC2)CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000895671762 1309458149 /nfs/dbraw/zinc/45/81/49/1309458149.db2.gz NYABOQCLJFUYSL-UHFFFAOYSA-N 0 3 339.277 3.215 10 10 EGCEHN C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000925775285 1325295187 /nfs/dbraw/zinc/29/51/87/1325295187.db2.gz FKODTZAIMSVBDU-VHSXEESVSA-N 0 3 338.320 3.306 10 10 EGCEHN COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cc([O-])cc(F)c3)C2)cc1 ZINC000926680447 1327662918 /nfs/dbraw/zinc/66/29/18/1327662918.db2.gz OLDAEPAZDVDFOO-BBRMVZONSA-N 0 3 330.403 3.469 10 10 EGCEHN COc1ccc(N2CC[C@H](N[C@H](C)c3cc(OC)ccn3)C2)cc1 ZINC000926680231 1327663726 /nfs/dbraw/zinc/66/37/26/1327663726.db2.gz LBCZKFMDFQILGI-CABCVRRESA-N 0 3 327.428 3.028 10 10 EGCEHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c1[O-] ZINC000926954955 1327794569 /nfs/dbraw/zinc/79/45/69/1327794569.db2.gz JGNIWNWOIIXGOB-NSHDSACASA-N 0 3 333.881 3.075 10 10 EGCEHN CC[C@@H](N[C@@H]1CC[NH2+][C@H]1CC)c1cc(Br)ccc1[O-] ZINC000863543182 1329561865 /nfs/dbraw/zinc/56/18/65/1329561865.db2.gz LQDYVOBMGBDIKX-HZSPNIEDSA-N 0 3 327.266 3.336 10 10 EGCEHN Cc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000866527045 1330121617 /nfs/dbraw/zinc/12/16/17/1330121617.db2.gz SYNZVPXFTPKYRU-OAHLLOKOSA-N 0 3 348.487 3.157 10 10 EGCEHN CCCC1(C(=O)NCC2(NCc3ccc(OC)c(C)c3)CC2)CC1 ZINC001323542111 1387384589 /nfs/dbraw/zinc/38/45/89/1387384589.db2.gz YWZMKHBILFOVML-UHFFFAOYSA-N 0 3 330.472 3.322 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCC3(CC3)C2)N(C)C)cc1 ZINC001134686157 1376658205 /nfs/dbraw/zinc/65/82/05/1376658205.db2.gz BMQLKYPNVZZIHB-PKOBYXMFSA-N 0 3 343.515 3.442 10 10 EGCEHN CCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1CCCC1 ZINC001479534306 1392272341 /nfs/dbraw/zinc/27/23/41/1392272341.db2.gz MVLIZYAPRARDGL-IBGZPJMESA-N 0 3 346.519 3.329 10 10 EGCEHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCCCN1C ZINC001687776660 1396490073 /nfs/dbraw/zinc/49/00/73/1396490073.db2.gz QCLVTOCCMXHTGN-LJQANCHMSA-N 0 3 346.519 3.157 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)c2cccc(F)c2)cc1C ZINC001715781174 1420341804 /nfs/dbraw/zinc/34/18/04/1420341804.db2.gz IZGFFIVRNVDECU-ONEGZZNKSA-N 0 3 342.414 3.219 10 10 EGCEHN Cc1ccsc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000054179224 132190179 /nfs/dbraw/zinc/19/01/79/132190179.db2.gz MAPQVCALBZZBLP-INIZCTEOSA-N 0 3 343.496 3.048 10 10 EGCEHN COc1cc(Br)cc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1[O-] ZINC000527806609 312946060 /nfs/dbraw/zinc/94/60/60/312946060.db2.gz YGENNFZAJLBUQV-QSDJMHMYSA-N 0 3 344.249 3.065 10 10 EGCEHN Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc(Br)ccc2[O-])n[nH]1 ZINC000186130409 455698927 /nfs/dbraw/zinc/69/89/27/455698927.db2.gz OYIXOTVWKQHLHG-KOLCDFICSA-N 0 3 338.249 3.468 10 10 EGCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000245654149 455349270 /nfs/dbraw/zinc/34/92/70/455349270.db2.gz IJEHCCOOSZPCJL-YLJYHZDGSA-N 0 3 327.424 3.489 10 10 EGCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000245654149 455349274 /nfs/dbraw/zinc/34/92/74/455349274.db2.gz IJEHCCOOSZPCJL-YLJYHZDGSA-N 0 3 327.424 3.489 10 10 EGCEHN Cn1cc(CNCc2ccc(N3CCCC3)cc2)c(-c2ccncc2)n1 ZINC000097159944 454418163 /nfs/dbraw/zinc/41/81/63/454418163.db2.gz GEQISCKLTZSDBC-UHFFFAOYSA-N 0 3 347.466 3.372 10 10 EGCEHN CCCOc1ccc(C[N@@H+]2CCCN(c3ccccn3)CC2)c([O-])c1 ZINC000184803316 455450100 /nfs/dbraw/zinc/45/01/00/455450100.db2.gz FPURNGVYJDCFCK-UHFFFAOYSA-N 0 3 341.455 3.288 10 10 EGCEHN CCCOc1ccc(C[N@H+]2CCCN(c3ccccn3)CC2)c([O-])c1 ZINC000184803316 455450101 /nfs/dbraw/zinc/45/01/01/455450101.db2.gz FPURNGVYJDCFCK-UHFFFAOYSA-N 0 3 341.455 3.288 10 10 EGCEHN CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2[O-])[C@H]1c1ccc(Cl)cc1 ZINC000125254119 454807827 /nfs/dbraw/zinc/80/78/27/454807827.db2.gz CQIASLWFZPWTKI-CRAIPNDOSA-N 0 3 330.815 3.107 10 10 EGCEHN Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000190458146 455321542 /nfs/dbraw/zinc/32/15/42/455321542.db2.gz FDWQEKAVVVPNOY-INIZCTEOSA-N 0 3 345.512 3.419 10 10 EGCEHN Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000190458146 455321547 /nfs/dbraw/zinc/32/15/47/455321547.db2.gz FDWQEKAVVVPNOY-INIZCTEOSA-N 0 3 345.512 3.419 10 10 EGCEHN Cc1cc([O-])c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)cc1C ZINC000174251211 455374227 /nfs/dbraw/zinc/37/42/27/455374227.db2.gz FCDSJEZAPDLWOE-UHFFFAOYSA-N 0 3 338.451 3.403 10 10 EGCEHN CCc1nccn1[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000175653147 455477519 /nfs/dbraw/zinc/47/75/19/455477519.db2.gz AOPUMNUKXKRPRP-INIZCTEOSA-N 0 3 345.418 3.330 10 10 EGCEHN C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000185573398 455579502 /nfs/dbraw/zinc/57/95/02/455579502.db2.gz YDQZHNHSTZCZPE-MRXNPFEDSA-N 0 3 349.494 3.132 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000185718524 455604668 /nfs/dbraw/zinc/60/46/68/455604668.db2.gz CLQVMGMRXQLNRW-CHWSQXEVSA-N 0 3 347.846 3.379 10 10 EGCEHN Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3c(C)cc(C)cc3[O-])C2)n(C)n1 ZINC000285279134 455817024 /nfs/dbraw/zinc/81/70/24/455817024.db2.gz REKGFWUWVIBCSG-IRXDYDNUSA-N 0 3 342.487 3.371 10 10 EGCEHN Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc(C)ccc3[O-])C2)n(C)n1 ZINC000278467395 455836644 /nfs/dbraw/zinc/83/66/44/455836644.db2.gz NHRULWKCQSEWBC-JKSUJKDBSA-N 0 3 328.460 3.062 10 10 EGCEHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)CC2 ZINC000296234170 455887972 /nfs/dbraw/zinc/88/79/72/455887972.db2.gz APDUOQYHHDZLMO-CABCVRRESA-N 0 3 348.240 3.465 10 10 EGCEHN COc1ccc(NC(=O)[C@H]2CCCN2Cc2cccc(C)c2O)cc1 ZINC000378444399 457397241 /nfs/dbraw/zinc/39/72/41/457397241.db2.gz WRQIVZTZYSBNIB-GOSISDBHSA-N 0 3 340.423 3.312 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000378440687 457397984 /nfs/dbraw/zinc/39/79/84/457397984.db2.gz DHJMDLLYHISPTA-IAGOWNOFSA-N 0 3 349.862 3.176 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000378440687 457397985 /nfs/dbraw/zinc/39/79/85/457397985.db2.gz DHJMDLLYHISPTA-IAGOWNOFSA-N 0 3 349.862 3.176 10 10 EGCEHN Cc1cc(Cl)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1[O-] ZINC000367753761 457979441 /nfs/dbraw/zinc/97/94/41/457979441.db2.gz LCPJBGUFXJPFSQ-IXDOHACOSA-N 0 3 338.879 3.038 10 10 EGCEHN c1cc(N2CCOCC2)ccc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000368217657 458020448 /nfs/dbraw/zinc/02/04/48/458020448.db2.gz ZQJDWSWSLKEGCL-UXHICEINSA-N 0 3 342.483 3.057 10 10 EGCEHN CCOc1ccc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c([O-])c1 ZINC000527732810 459717773 /nfs/dbraw/zinc/71/77/73/459717773.db2.gz CNFZXAFMXLJRDU-IBGZPJMESA-N 0 3 329.396 3.111 10 10 EGCEHN CCOc1ccc([O-])c(C[NH2+]C[C@H](OC)c2cccc(OC)c2)c1 ZINC000527734429 459719083 /nfs/dbraw/zinc/71/90/83/459719083.db2.gz HGHJLWDVCYUVCL-IBGZPJMESA-N 0 3 331.412 3.277 10 10 EGCEHN COc1cc(O)c(CN2Cc3ccccc3C3(CC3)C2)cc1OC ZINC000185153317 547115584 /nfs/dbraw/zinc/11/55/84/547115584.db2.gz LKCRBFUNQDNPSU-UHFFFAOYSA-N 0 3 325.408 3.457 10 10 EGCEHN CC[C@@H]1CN(Cc2c(O)c(C(=O)OC)cc3ccccc32)C[C@H](C)O1 ZINC000732186150 575242758 /nfs/dbraw/zinc/24/27/58/575242758.db2.gz YIXDSXSSNGFEAY-DZGCQCFKSA-N 0 3 343.423 3.331 10 10 EGCEHN CC(C)N1C(=O)CN(Cc2c(O)ccc3ccccc32)CC1(C)C ZINC000743379202 576807536 /nfs/dbraw/zinc/80/75/36/576807536.db2.gz WHYZRFBULDUMPN-UHFFFAOYSA-N 0 3 326.440 3.377 10 10 EGCEHN CC(C)(C)[NH+]1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000707129333 1298225789 /nfs/dbraw/zinc/22/57/89/1298225789.db2.gz FRMRWCZPZIRJNI-UHFFFAOYSA-N 0 3 327.266 3.071 10 10 EGCEHN C[C@@H]1C[C@@H]([NH2+]Cc2ccc3oc(=O)n(C)c3c2)c2c1c(F)ccc2[O-] ZINC000858539740 1328791562 /nfs/dbraw/zinc/79/15/62/1328791562.db2.gz KSCCKHITNRWXBI-ZWNOBZJWSA-N 0 3 342.370 3.314 10 10 EGCEHN CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@@H]3CCc4cccc([O-])c43)[C@@H]2C1 ZINC000926986196 1327808562 /nfs/dbraw/zinc/80/85/62/1327808562.db2.gz HMOKYKVSVYWNCV-LVQVYYBASA-N 0 3 344.455 3.082 10 10 EGCEHN C[C@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1ccccc1[O-] ZINC000927008624 1327818825 /nfs/dbraw/zinc/81/88/25/1327818825.db2.gz SVQQJUXPEKXECB-NSHDSACASA-N 0 3 336.233 3.191 10 10 EGCEHN COc1ccc(N2CC[C@H](NCc3cnc4ccccc4n3)C2)cc1 ZINC000862407874 1329483870 /nfs/dbraw/zinc/48/38/70/1329483870.db2.gz PNQWSULMUXRKGC-HNNXBMFYSA-N 0 3 334.423 3.007 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1[O-] ZINC000862525656 1329492144 /nfs/dbraw/zinc/49/21/44/1329492144.db2.gz FPUVPYJXWKOCAL-PBHICJAKSA-N 0 3 334.803 3.074 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1[O-] ZINC000862529868 1329492711 /nfs/dbraw/zinc/49/27/11/1329492711.db2.gz QNVRGVIXVVDGBU-KBPBESRZSA-N 0 3 326.234 3.120 10 10 EGCEHN C[C@@H]1CC[C@H](CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC001134686379 1376658681 /nfs/dbraw/zinc/65/86/81/1376658681.db2.gz IPUPEXTVKIUVNA-JTDSTZFVSA-N 0 3 331.504 3.298 10 10 EGCEHN C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1[O-] ZINC001175419467 1385282138 /nfs/dbraw/zinc/28/21/38/1385282138.db2.gz UTRVEOKLDWORFP-LLVKDONJSA-N 0 3 347.346 3.119 10 10 EGCEHN CCc1[nH]c(CNCc2ccc(N(C)C)cc2C)cc1C(=O)OC ZINC001334359056 1390524621 /nfs/dbraw/zinc/52/46/21/1390524621.db2.gz MHSZDCXFHWPPFP-UHFFFAOYSA-N 0 3 329.444 3.028 10 10 EGCEHN CC(C)CC1(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001479533438 1392272425 /nfs/dbraw/zinc/27/24/25/1392272425.db2.gz HVNWVDOSEHHRGU-GOSISDBHSA-N 0 3 346.519 3.233 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)/C=C/c2ccco2)cc1C ZINC001716262367 1420587475 /nfs/dbraw/zinc/58/74/75/1420587475.db2.gz GNVDEUUIPSUFTN-JWAQTBJPSA-N 0 3 340.423 3.072 10 10 EGCEHN c1csc([C@@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000092788673 454633828 /nfs/dbraw/zinc/63/38/28/454633828.db2.gz XQTXLWGVPFVGSW-QGZVFWFLSA-N 0 3 343.496 3.359 10 10 EGCEHN C[C@H](Cn1cncn1)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000164178474 454876657 /nfs/dbraw/zinc/87/66/57/454876657.db2.gz QKNSRFSRGHYRPL-SJORKVTESA-N 0 3 327.476 3.398 10 10 EGCEHN CCn1cc(C2CCN(Cc3cc(OC)c(OC)cc3O)CC2)cn1 ZINC000160241319 455440603 /nfs/dbraw/zinc/44/06/03/455440603.db2.gz ZVTXMTNCWOGCQS-UHFFFAOYSA-N 0 3 345.443 3.005 10 10 EGCEHN CCn1cc(C2CC[NH+](Cc3cc(OC)c(OC)cc3[O-])CC2)cn1 ZINC000160241319 455440608 /nfs/dbraw/zinc/44/06/08/455440608.db2.gz ZVTXMTNCWOGCQS-UHFFFAOYSA-N 0 3 345.443 3.005 10 10 EGCEHN COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000185712422 455603626 /nfs/dbraw/zinc/60/36/26/455603626.db2.gz KFUJRQDSEUQDSV-UKRRQHHQSA-N 0 3 330.403 3.469 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000185762983 455616770 /nfs/dbraw/zinc/61/67/70/455616770.db2.gz KRVDSNMIRINWDT-ZBFHGGJFSA-N 0 3 346.471 3.233 10 10 EGCEHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)c1 ZINC000186078571 455689588 /nfs/dbraw/zinc/68/95/88/455689588.db2.gz DJOLVEPHFYCBKF-HNNXBMFYSA-N 0 3 340.423 3.167 10 10 EGCEHN CN1C[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCC1=O ZINC000293785133 455797359 /nfs/dbraw/zinc/79/73/59/455797359.db2.gz QJXDRPSFAVZPBG-HKUYNNGSSA-N 0 3 338.451 3.277 10 10 EGCEHN COC(=O)CCCCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000289907425 456176625 /nfs/dbraw/zinc/17/66/25/456176625.db2.gz UUODIKYYMJXZRH-UHFFFAOYSA-N 0 3 344.249 3.286 10 10 EGCEHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc(F)ccc1[O-] ZINC000189044585 456208931 /nfs/dbraw/zinc/20/89/31/456208931.db2.gz OVDPUHCWAKIUGI-YVEFUNNKSA-N 0 3 346.377 3.122 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1[O-] ZINC000291194233 456560917 /nfs/dbraw/zinc/56/09/17/456560917.db2.gz GWAHYDXGBLLFOM-IBGZPJMESA-N 0 3 331.843 3.490 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1[O-] ZINC000291194233 456560923 /nfs/dbraw/zinc/56/09/23/456560923.db2.gz GWAHYDXGBLLFOM-IBGZPJMESA-N 0 3 331.843 3.490 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000378440686 457397608 /nfs/dbraw/zinc/39/76/08/457397608.db2.gz DHJMDLLYHISPTA-DLBZAZTESA-N 0 3 349.862 3.176 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000378440686 457397614 /nfs/dbraw/zinc/39/76/14/457397614.db2.gz DHJMDLLYHISPTA-DLBZAZTESA-N 0 3 349.862 3.176 10 10 EGCEHN COc1cc(Cl)cc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000368978612 458068778 /nfs/dbraw/zinc/06/87/78/458068778.db2.gz SXVRMEWWLFSYCG-HNNXBMFYSA-N 0 3 349.862 3.479 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1[O-] ZINC000529669764 459833409 /nfs/dbraw/zinc/83/34/09/459833409.db2.gz PDODCIFASHSECU-RMIALFOJSA-N 0 3 328.250 3.365 10 10 EGCEHN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H]2CN(C)C)cc1 ZINC000727759343 574688845 /nfs/dbraw/zinc/68/88/45/574688845.db2.gz YLMXMJLEDLEAHZ-IBGZPJMESA-N 0 3 325.456 3.260 10 10 EGCEHN CCCN(CCC)c1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1 ZINC000742392569 576778593 /nfs/dbraw/zinc/77/85/93/576778593.db2.gz QVQVALAFDWTTBT-POAQFYNOSA-N 0 3 343.515 3.412 10 10 EGCEHN FC(F)(F)[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000179621141 1294807855 /nfs/dbraw/zinc/80/78/55/1294807855.db2.gz XSKHSKMOFUIXLD-OAHLLOKOSA-N 0 3 328.378 3.298 10 10 EGCEHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3cccc(O)c3F)C2)cc1 ZINC000872085859 1296725601 /nfs/dbraw/zinc/72/56/01/1296725601.db2.gz RIOQUXFICRILFH-UONOGXRCSA-N 0 3 330.403 3.469 10 10 EGCEHN [O-]c1cccc(Br)c1CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000706842363 1298223189 /nfs/dbraw/zinc/22/31/89/1298223189.db2.gz CEABOYDAIZCTLY-GFCCVEGCSA-N 0 3 339.277 3.119 10 10 EGCEHN CC(C)(C)OC(=O)Nc1ccnc(CNCc2ccccc2O)c1 ZINC000886265413 1303414500 /nfs/dbraw/zinc/41/45/00/1303414500.db2.gz IDYVWPCOGFGCHB-UHFFFAOYSA-N 0 3 329.400 3.424 10 10 EGCEHN COC(=O)c1c(CNC[C@@]2(C)CC2(F)F)c2cc(F)ccc2n1C ZINC000895276158 1309268323 /nfs/dbraw/zinc/26/83/23/1309268323.db2.gz USDBJHOYPJNARP-MRXNPFEDSA-N 0 3 340.345 3.239 10 10 EGCEHN Fc1cc(CN2CC[C@@H](c3nccs3)C2)ccc1N1CCOCC1 ZINC000895583977 1309414258 /nfs/dbraw/zinc/41/42/58/1309414258.db2.gz NNGBCFHUQKNASJ-OAHLLOKOSA-N 0 3 347.459 3.108 10 10 EGCEHN CC1([NH+]2CCC2)CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000895671560 1309458467 /nfs/dbraw/zinc/45/84/67/1309458467.db2.gz QPTKAWPEKNHQMZ-UHFFFAOYSA-N 0 3 339.277 3.215 10 10 EGCEHN COc1cc(Br)cc(CN[C@H](C)c2ccns2)c1O ZINC000858317387 1328735908 /nfs/dbraw/zinc/73/59/08/1328735908.db2.gz NBFMVRDXKCRMCY-MRVPVSSYSA-N 0 3 343.246 3.471 10 10 EGCEHN C[C@@H](NC[C@H](n1cccn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000858449098 1328765155 /nfs/dbraw/zinc/76/51/55/1328765155.db2.gz WNYZXACZDNOHEI-DOMZBBRYSA-N 0 3 326.366 3.403 10 10 EGCEHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCO[C@@H]2c2nc(C)no2)cc1 ZINC000858592276 1328804294 /nfs/dbraw/zinc/80/42/94/1328804294.db2.gz XLIOWVGDYOCKSP-JLZZUVOBSA-N 0 3 330.432 3.015 10 10 EGCEHN CC[C@@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1[O-] ZINC000925794890 1325303520 /nfs/dbraw/zinc/30/35/20/1325303520.db2.gz VWZFGDOENOYOFJ-XJKSGUPXSA-N 0 3 338.879 3.245 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c([O-])c1 ZINC000866576337 1330128936 /nfs/dbraw/zinc/12/89/36/1330128936.db2.gz GNNZXHVSYOJGSO-HNNXBMFYSA-N 0 3 339.439 3.077 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@@H]3CCC3(C)C)CC2)cc1C ZINC001323518147 1387380174 /nfs/dbraw/zinc/38/01/74/1387380174.db2.gz GYOUKCSUGWBBIU-INIZCTEOSA-N 0 3 330.472 3.178 10 10 EGCEHN CCOc1ccc(N2CCN(C[C@H](O)CC3CCCC3)CC2)cc1 ZINC001116755761 1370967542 /nfs/dbraw/zinc/96/75/42/1370967542.db2.gz UCFMDAQZVNTKNK-LJQANCHMSA-N 0 3 332.488 3.149 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)N(C)C)cc1 ZINC001134686155 1376658397 /nfs/dbraw/zinc/65/83/97/1376658397.db2.gz BMQLKYPNVZZIHB-IEBWSBKVSA-N 0 3 343.515 3.442 10 10 EGCEHN Cc1cc(CN2CCN3C[C@@H](F)C[C@H]3C2)ccc1N1CCCCC1 ZINC001176776941 1385692194 /nfs/dbraw/zinc/69/21/94/1385692194.db2.gz DZOQWDRTZMZGPE-OALUTQOASA-N 0 3 331.479 3.213 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)C2C(C)(C)C2(C)C)cc1C ZINC001699242946 1412594126 /nfs/dbraw/zinc/59/41/26/1412594126.db2.gz MWNGUQVPYFAROY-FPLPWBNLSA-N 0 3 344.499 3.448 10 10 EGCEHN CC[C@@H](C)[C@H](C)C(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001716697365 1420849837 /nfs/dbraw/zinc/84/98/37/1420849837.db2.gz PUGQDHJNYYJMFR-ZBFHGGJFSA-N 0 3 332.488 3.424 10 10 EGCEHN C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Br)ccc2[O-])CCN1C ZINC000093643632 454725980 /nfs/dbraw/zinc/72/59/80/454725980.db2.gz UIHQMVVLLSKSJG-RISCZKNCSA-N 0 3 327.266 3.069 10 10 EGCEHN C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)ccc2[O-])CCN1C ZINC000093643632 454725984 /nfs/dbraw/zinc/72/59/84/454725984.db2.gz UIHQMVVLLSKSJG-RISCZKNCSA-N 0 3 327.266 3.069 10 10 EGCEHN Fc1cc(CN[C@H]2CCc3ccccc32)ccc1N1CCOCC1 ZINC000066970552 453891354 /nfs/dbraw/zinc/89/13/54/453891354.db2.gz UTHRQDNUVKUVHN-IBGZPJMESA-N 0 3 326.415 3.439 10 10 EGCEHN COc1ccccc1CN[C@@H](C)c1ccc(N2CCN(C)CC2)cc1 ZINC000071825383 454226092 /nfs/dbraw/zinc/22/60/92/454226092.db2.gz RMWPMKINGXTZBO-KRWDZBQOSA-N 0 3 339.483 3.298 10 10 EGCEHN CCCn1cc(CN2CCC[N@H+](Cc3cc(C)ccc3[O-])CC2)cn1 ZINC000121680591 454465475 /nfs/dbraw/zinc/46/54/75/454465475.db2.gz XDXOBYYEVPBJOX-UHFFFAOYSA-N 0 3 342.487 3.015 10 10 EGCEHN CCCn1cc(CN2CCC[N@@H+](Cc3cc(C)ccc3[O-])CC2)cn1 ZINC000121680591 454465478 /nfs/dbraw/zinc/46/54/78/454465478.db2.gz XDXOBYYEVPBJOX-UHFFFAOYSA-N 0 3 342.487 3.015 10 10 EGCEHN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@H](n3cccn3)C2)c1 ZINC000102393265 454502852 /nfs/dbraw/zinc/50/28/52/454502852.db2.gz YZZUSTGJGOYIEQ-INIZCTEOSA-N 0 3 329.444 3.429 10 10 EGCEHN CCCOc1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c([O-])c1 ZINC000092662255 454605258 /nfs/dbraw/zinc/60/52/58/454605258.db2.gz RZLZILUVVXYWRW-LJQANCHMSA-N 0 3 349.471 3.341 10 10 EGCEHN Cc1cccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1[O-] ZINC000179899323 455095989 /nfs/dbraw/zinc/09/59/89/455095989.db2.gz XSNSZIQGIIVREW-UHFFFAOYSA-N 0 3 330.472 3.362 10 10 EGCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000245699577 455358441 /nfs/dbraw/zinc/35/84/41/455358441.db2.gz BITJDOCURUIKOG-CRAIPNDOSA-N 0 3 331.412 3.472 10 10 EGCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000245699577 455358447 /nfs/dbraw/zinc/35/84/47/455358447.db2.gz BITJDOCURUIKOG-CRAIPNDOSA-N 0 3 331.412 3.472 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1[O-] ZINC000182636411 455558016 /nfs/dbraw/zinc/55/80/16/455558016.db2.gz QKSYZDRWKJNLBU-GOEBONIOSA-N 0 3 327.877 3.498 10 10 EGCEHN C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000185573383 455579453 /nfs/dbraw/zinc/57/94/53/455579453.db2.gz YDQZHNHSTZCZPE-INIZCTEOSA-N 0 3 349.494 3.132 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000248530506 455719016 /nfs/dbraw/zinc/71/90/16/455719016.db2.gz XLQXMUSSKWUIDE-DCPHZVHLSA-N 0 3 326.440 3.497 10 10 EGCEHN CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(C)cc1[O-] ZINC000280093935 455889791 /nfs/dbraw/zinc/88/97/91/455889791.db2.gz MQWJQTBYENCXSZ-WBVHZDCISA-N 0 3 326.444 3.200 10 10 EGCEHN Cc1ccc(O)c([C@H](C)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000189051149 456212585 /nfs/dbraw/zinc/21/25/85/456212585.db2.gz XCQJMPZRNNMMRP-KSSFIOAISA-N 0 3 342.414 3.291 10 10 EGCEHN CCOc1ccc(O)c(CN2CC[C@@H](OCc3c(C)noc3C)C2)c1 ZINC000370728564 457708090 /nfs/dbraw/zinc/70/80/90/457708090.db2.gz BWGHPLGPCLWJJK-QGZVFWFLSA-N 0 3 346.427 3.187 10 10 EGCEHN Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cccc(C)c3[O-])CC2)o1 ZINC000527585939 459665652 /nfs/dbraw/zinc/66/56/52/459665652.db2.gz FONBKIKKWZPODA-UHFFFAOYSA-N 0 3 342.439 3.305 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1[O-] ZINC000529669765 459832994 /nfs/dbraw/zinc/83/29/94/459832994.db2.gz PDODCIFASHSECU-ZHPDPMBESA-N 0 3 328.250 3.365 10 10 EGCEHN CCOc1ccc([O-])c(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)c1 ZINC000731360527 575068140 /nfs/dbraw/zinc/06/81/40/575068140.db2.gz HRZLVRYWDAGGTR-UHFFFAOYSA-N 0 3 346.471 3.062 10 10 EGCEHN CC(C)(C)OC(=O)N1CCCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000917491037 1319820473 /nfs/dbraw/zinc/82/04/73/1319820473.db2.gz OBOKVYADCGLPNJ-UHFFFAOYSA-N 0 3 346.471 3.324 10 10 EGCEHN C[C@@H]1COC2(CCCC2)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000931056072 1329037920 /nfs/dbraw/zinc/03/79/20/1329037920.db2.gz ITIYSUHJHDCKEJ-QGZVFWFLSA-N 0 3 330.472 3.057 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c([O-])c1 ZINC000926988636 1327809548 /nfs/dbraw/zinc/80/95/48/1327809548.db2.gz PHYQQCPXTHFKTG-QSPRXWTASA-N 0 3 346.471 3.464 10 10 EGCEHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(n3cc(Br)cn3)CC1)CC2 ZINC000927006473 1327818274 /nfs/dbraw/zinc/81/82/74/1327818274.db2.gz SJZOJDJKCJRWTH-ZDUSSCGKSA-N 0 3 348.244 3.117 10 10 EGCEHN CCC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000927025898 1327824720 /nfs/dbraw/zinc/82/47/20/1327824720.db2.gz YXEFSJSYCXXHRR-JQWIXIFHSA-N 0 3 346.265 3.365 10 10 EGCEHN CC[N@@H+]1CC[C@@H](N(C)Cc2c([O-])cccc2Br)[C@H](C)C1 ZINC000862248796 1329470753 /nfs/dbraw/zinc/47/07/53/1329470753.db2.gz SEADOZBPZXGHCY-IUODEOHRSA-N 0 3 341.293 3.317 10 10 EGCEHN CC[N@H+]1CC[C@@H](N(C)Cc2c([O-])cccc2Br)[C@H](C)C1 ZINC000862248796 1329470754 /nfs/dbraw/zinc/47/07/54/1329470754.db2.gz SEADOZBPZXGHCY-IUODEOHRSA-N 0 3 341.293 3.317 10 10 EGCEHN C[C@@H]([NH2+]CCC1(O)CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000866443389 1330113327 /nfs/dbraw/zinc/11/33/27/1330113327.db2.gz LLAZMTZBXVXIPP-QGZVFWFLSA-N 0 3 340.467 3.464 10 10 EGCEHN CN(C)c1ccc(CNC(=O)CN(CC2CCCCC2)C2CC2)cc1 ZINC001167100873 1383538990 /nfs/dbraw/zinc/53/89/90/1383538990.db2.gz PHRNPTVFRFPKSC-UHFFFAOYSA-N 0 3 343.515 3.414 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)C2CC3(CCC3)C2)cc1C ZINC001699293979 1412619623 /nfs/dbraw/zinc/61/96/23/1412619623.db2.gz HQHHTRHBLJEPNC-ARJAWSKDSA-N 0 3 342.483 3.346 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)C(C)=C2CCC2)cc1C ZINC001732848851 1429008288 /nfs/dbraw/zinc/00/82/88/1429008288.db2.gz OTRZFXOJTDJHQU-PLNGDYQASA-N 0 3 328.456 3.266 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)/C=C(/C)C2CC2)cc1C ZINC001716271642 1420589813 /nfs/dbraw/zinc/58/98/13/1420589813.db2.gz CHTSUUIQQZGMHI-HLMDAQROSA-N 0 3 328.456 3.122 10 10 EGCEHN CN1CC[NH+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC000022038760 277108939 /nfs/dbraw/zinc/10/89/39/277108939.db2.gz AWPWKYKUKZMFHZ-UHFFFAOYSA-N 0 3 335.245 3.055 10 10 EGCEHN C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Br)ccc2[O-])CCN1C ZINC000093643630 454725866 /nfs/dbraw/zinc/72/58/66/454725866.db2.gz UIHQMVVLLSKSJG-BXUZGUMPSA-N 0 3 327.266 3.069 10 10 EGCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](n3ccnc3CC)C2)c1 ZINC000122938595 454584823 /nfs/dbraw/zinc/58/48/23/454584823.db2.gz WGRVHWFNGLJEKX-INIZCTEOSA-N 0 3 329.444 3.387 10 10 EGCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](n3ccnc3CC)C2)c1 ZINC000122938595 454584827 /nfs/dbraw/zinc/58/48/27/454584827.db2.gz WGRVHWFNGLJEKX-INIZCTEOSA-N 0 3 329.444 3.387 10 10 EGCEHN CCOc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1[O-] ZINC000092813180 454640010 /nfs/dbraw/zinc/64/00/10/454640010.db2.gz LJJUNKRFDNWDIF-INIZCTEOSA-N 0 3 341.455 3.428 10 10 EGCEHN CCOc1cccc(C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1[O-] ZINC000092813180 454640012 /nfs/dbraw/zinc/64/00/12/454640012.db2.gz LJJUNKRFDNWDIF-INIZCTEOSA-N 0 3 341.455 3.428 10 10 EGCEHN C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Br)ccc2[O-])CCN1C ZINC000093643630 454725863 /nfs/dbraw/zinc/72/58/63/454725863.db2.gz UIHQMVVLLSKSJG-BXUZGUMPSA-N 0 3 327.266 3.069 10 10 EGCEHN Cc1csc(C2CCN(Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000156545148 455131086 /nfs/dbraw/zinc/13/10/86/455131086.db2.gz JMQILHPLLQOACT-UHFFFAOYSA-N 0 3 332.425 3.265 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1[O-] ZINC000245867632 455387927 /nfs/dbraw/zinc/38/79/27/455387927.db2.gz QQROPMZVNSGDAB-CXAGYDPISA-N 0 3 349.862 3.033 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1[O-] ZINC000245867632 455387932 /nfs/dbraw/zinc/38/79/32/455387932.db2.gz QQROPMZVNSGDAB-CXAGYDPISA-N 0 3 349.862 3.033 10 10 EGCEHN CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2[O-])c2ccc(F)cc2C1 ZINC000185355953 455547919 /nfs/dbraw/zinc/54/79/19/455547919.db2.gz RCAILCFKXYEJSC-GOSISDBHSA-N 0 3 328.387 3.114 10 10 EGCEHN C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cc(F)ccc1[O-] ZINC000185763968 455616940 /nfs/dbraw/zinc/61/69/40/455616940.db2.gz DTSRSKNVHVOHKT-XJKSGUPXSA-N 0 3 334.435 3.363 10 10 EGCEHN C[C@H](N[C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N2CCCCC2)cc1 ZINC000284278460 455661951 /nfs/dbraw/zinc/66/19/51/455661951.db2.gz HJWLNPVGKWDDQX-ILZDJORESA-N 0 3 348.531 3.486 10 10 EGCEHN CCN(CC)c1ccc(CN2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000377696561 458511223 /nfs/dbraw/zinc/51/12/23/458511223.db2.gz NWPLHJVWSSEZDL-QGZVFWFLSA-N 0 3 339.487 3.115 10 10 EGCEHN CCN(CC)c1ccc(CN[C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000731678726 575199617 /nfs/dbraw/zinc/19/96/17/575199617.db2.gz JJXJXXPQAXMFRK-HXUWFJFHSA-N 0 3 337.467 3.428 10 10 EGCEHN C[NH+]1CCC2(CC1)CN(C(=O)c1cc([O-])cs1)Cc1ccccc12 ZINC000870185875 1295724013 /nfs/dbraw/zinc/72/40/13/1295724013.db2.gz VUSJVNDYQLAPTF-UHFFFAOYSA-N 0 3 342.464 3.073 10 10 EGCEHN CN1CCC2(CC1)CN(C(=O)C1=CC(=O)CS1)Cc1ccccc12 ZINC000870185875 1295724016 /nfs/dbraw/zinc/72/40/16/1295724016.db2.gz VUSJVNDYQLAPTF-UHFFFAOYSA-N 0 3 342.464 3.073 10 10 EGCEHN CC[N@H+](Cc1cc(Br)cc(C)c1[O-])C1CCOCC1 ZINC000716482401 1298300883 /nfs/dbraw/zinc/30/08/83/1298300883.db2.gz QERCYSIDFPTIEV-UHFFFAOYSA-N 0 3 328.250 3.464 10 10 EGCEHN CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])C1CCOCC1 ZINC000716482401 1298300896 /nfs/dbraw/zinc/30/08/96/1298300896.db2.gz QERCYSIDFPTIEV-UHFFFAOYSA-N 0 3 328.250 3.464 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c1[O-] ZINC000724814346 1298348509 /nfs/dbraw/zinc/34/85/09/1298348509.db2.gz NFNFISFJKMLTKZ-BXUZGUMPSA-N 0 3 326.234 3.074 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c1[O-] ZINC000724814346 1298348520 /nfs/dbraw/zinc/34/85/20/1298348520.db2.gz NFNFISFJKMLTKZ-BXUZGUMPSA-N 0 3 326.234 3.074 10 10 EGCEHN COc1cc(C)cc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000894882048 1309112956 /nfs/dbraw/zinc/11/29/56/1309112956.db2.gz UOMAVBXHCRHQJN-PXNSSMCTSA-N 0 3 345.414 3.009 10 10 EGCEHN COc1ccc(N(C)CCN(C)Cc2cnc3onc(C)c3c2)cc1 ZINC000895138414 1309206053 /nfs/dbraw/zinc/20/60/53/1309206053.db2.gz VEHZSYHSLCOCNQ-UHFFFAOYSA-N 0 3 340.427 3.108 10 10 EGCEHN CC[C@@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccc(C)cc1[O-] ZINC000858539515 1328791821 /nfs/dbraw/zinc/79/18/21/1328791821.db2.gz FRXHSVWANLBFLT-OAHLLOKOSA-N 0 3 326.396 3.386 10 10 EGCEHN C[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000922414589 1322524315 /nfs/dbraw/zinc/52/43/15/1322524315.db2.gz OTTDZOFAHUSNHD-FZKQIMNGSA-N 0 3 345.418 3.022 10 10 EGCEHN C[C@@H]([NH2+]CC1(n2cc(Br)cn2)CC1)c1ccccc1[O-] ZINC000927008623 1327819519 /nfs/dbraw/zinc/81/95/19/1327819519.db2.gz SVQQJUXPEKXECB-LLVKDONJSA-N 0 3 336.233 3.191 10 10 EGCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1[O-] ZINC000866447088 1330113521 /nfs/dbraw/zinc/11/35/21/1330113521.db2.gz HMLFPJJDVFKJAM-KEPMVKOISA-N 0 3 344.249 3.380 10 10 EGCEHN C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C[C@@H]1C ZINC001313410048 1384416488 /nfs/dbraw/zinc/41/64/88/1384416488.db2.gz DGSFDVRWTVEOKM-GJYPPUQNSA-N 0 3 346.519 3.043 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)N(C)CC2CCCC2)N(C)C)cc1 ZINC001313419905 1384416676 /nfs/dbraw/zinc/41/66/76/1384416676.db2.gz VJPXGIWTDOBWPT-LJQANCHMSA-N 0 3 346.519 3.187 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)c2cscc2C)cc1C ZINC001699243153 1412594465 /nfs/dbraw/zinc/59/44/65/1412594465.db2.gz QOJWDMDALBIAKG-PLNGDYQASA-N 0 3 344.480 3.449 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)c2[nH]c(C)cc2C)cc1C ZINC001732868238 1429018926 /nfs/dbraw/zinc/01/89/26/1429018926.db2.gz LNXDOBOOFHILHN-WAYWQWQTSA-N 0 3 341.455 3.024 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)cc1C ZINC001732867941 1429018960 /nfs/dbraw/zinc/01/89/60/1429018960.db2.gz DXQNGUYMQGNTKC-MDNVCMEISA-N 0 3 342.483 3.202 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@H]3C[C@@]3(C)C(C)C)CC2)cc1C ZINC001733257314 1429408940 /nfs/dbraw/zinc/40/89/40/1429408940.db2.gz KJBMDNYJVTUZEE-XLIONFOSSA-N 0 3 344.499 3.424 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)c2ccc(Cl)[nH]2)cc1C ZINC001715865616 1420373283 /nfs/dbraw/zinc/37/32/83/1420373283.db2.gz IPXNPTRNZAKTJC-ONEGZZNKSA-N 0 3 347.846 3.061 10 10 EGCEHN CC(=O)Nc1ccc(C[NH+]2CCCCC2)c([O-])c1CN1CCCCC1 ZINC000035241168 213015564 /nfs/dbraw/zinc/01/55/64/213015564.db2.gz ZATGKKMKVZJTMW-UHFFFAOYSA-N 0 3 345.487 3.322 10 10 EGCEHN Cc1ccsc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000054179226 132190435 /nfs/dbraw/zinc/19/04/35/132190435.db2.gz MAPQVCALBZZBLP-MRXNPFEDSA-N 0 3 343.496 3.048 10 10 EGCEHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2nccs2)CC1 ZINC000012885989 453420684 /nfs/dbraw/zinc/42/06/84/453420684.db2.gz SZGCGRALHDVXPY-UHFFFAOYSA-N 0 3 325.437 3.324 10 10 EGCEHN COc1ccc(O)c(CN2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000179899443 455095949 /nfs/dbraw/zinc/09/59/49/455095949.db2.gz UBFAWKYWGIAYNE-UHFFFAOYSA-N 0 3 346.471 3.062 10 10 EGCEHN Cc1cccc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1[O-] ZINC000190492125 455331752 /nfs/dbraw/zinc/33/17/52/455331752.db2.gz WNNJHSULCVJEOA-GOSISDBHSA-N 0 3 325.456 3.050 10 10 EGCEHN Cc1cccc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1[O-] ZINC000190492125 455331754 /nfs/dbraw/zinc/33/17/54/455331754.db2.gz WNNJHSULCVJEOA-GOSISDBHSA-N 0 3 325.456 3.050 10 10 EGCEHN CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2)ncn1 ZINC000248516754 455717393 /nfs/dbraw/zinc/71/73/93/455717393.db2.gz OYWVAWXEQKZIFF-NVXWUHKLSA-N 0 3 340.471 3.373 10 10 EGCEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC000248558654 455719996 /nfs/dbraw/zinc/71/99/96/455719996.db2.gz AJZRTICHVCQBQP-NUEKZKHPSA-N 0 3 332.444 3.127 10 10 EGCEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC000248558654 455719998 /nfs/dbraw/zinc/71/99/98/455719998.db2.gz AJZRTICHVCQBQP-NUEKZKHPSA-N 0 3 332.444 3.127 10 10 EGCEHN CC[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(C)cc1[O-] ZINC000280274464 455933003 /nfs/dbraw/zinc/93/30/03/455933003.db2.gz YCGJFKQZLICUDB-SFHVURJKSA-N 0 3 341.455 3.173 10 10 EGCEHN C[C@@H](Cn1cncn1)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296526816 455963249 /nfs/dbraw/zinc/96/32/49/455963249.db2.gz SJQXTGIYVWTKCC-HNNXBMFYSA-N 0 3 341.484 3.154 10 10 EGCEHN COc1cccc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1[O-] ZINC000282729256 456605517 /nfs/dbraw/zinc/60/55/17/456605517.db2.gz MDWUDDRDAIDIGS-INIZCTEOSA-N 0 3 341.455 3.313 10 10 EGCEHN COc1cccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1[O-] ZINC000282729256 456605524 /nfs/dbraw/zinc/60/55/24/456605524.db2.gz MDWUDDRDAIDIGS-INIZCTEOSA-N 0 3 341.455 3.313 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1[O-] ZINC000375305117 457874213 /nfs/dbraw/zinc/87/42/13/457874213.db2.gz WBBXQMKRJZWWSP-INIZCTEOSA-N 0 3 340.261 3.466 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1[O-] ZINC000375305117 457874217 /nfs/dbraw/zinc/87/42/17/457874217.db2.gz WBBXQMKRJZWWSP-INIZCTEOSA-N 0 3 340.261 3.466 10 10 EGCEHN Cc1cc(Cl)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1[O-] ZINC000367753762 457979270 /nfs/dbraw/zinc/97/92/70/457979270.db2.gz LCPJBGUFXJPFSQ-YESZJQIVSA-N 0 3 338.879 3.038 10 10 EGCEHN CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C)cc1[O-] ZINC000365581612 547777586 /nfs/dbraw/zinc/77/75/86/547777586.db2.gz PYHHGUVHNURVTK-CRAIPNDOSA-N 0 3 328.460 3.144 10 10 EGCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCSC[C@@H]2C)c1[O-] ZINC000738280154 576309818 /nfs/dbraw/zinc/30/98/18/576309818.db2.gz ZWMUXQWWFKZWBI-LBPRGKRZSA-N 0 3 331.437 3.269 10 10 EGCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCSC[C@@H]2C)c1[O-] ZINC000738280154 576309819 /nfs/dbraw/zinc/30/98/19/576309819.db2.gz ZWMUXQWWFKZWBI-LBPRGKRZSA-N 0 3 331.437 3.269 10 10 EGCEHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000023260020 1291233457 /nfs/dbraw/zinc/23/34/57/1291233457.db2.gz GQOXZFCHVJFUMX-UHFFFAOYSA-N 0 3 333.435 3.258 10 10 EGCEHN CCOc1ccc(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c([O-])c1 ZINC000886300645 1303427743 /nfs/dbraw/zinc/42/77/43/1303427743.db2.gz MVFDUOKQDJQTPJ-KRWDZBQOSA-N 0 3 349.471 3.246 10 10 EGCEHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc2cc(O)c(O)cc2s1 ZINC000898440507 1310736590 /nfs/dbraw/zinc/73/65/90/1310736590.db2.gz VOLJCEYOQJYGSF-OLZOCXBDSA-N 0 3 346.452 3.059 10 10 EGCEHN C[C@@H](N[C@@H](C)c1ccc(F)nc1)c1ccc(N2CCOCC2)cc1 ZINC000930210569 1328812821 /nfs/dbraw/zinc/81/28/21/1328812821.db2.gz OHKFPNFDDXTVPZ-CABCVRRESA-N 0 3 329.419 3.469 10 10 EGCEHN C[C@H](NCc1ccnn1C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000921590025 1322359628 /nfs/dbraw/zinc/35/96/28/1322359628.db2.gz AJMICDYNTODEBR-INIZCTEOSA-N 0 3 340.471 3.296 10 10 EGCEHN CCN1CCN(c2ccc(CN[C@H](C)c3ccns3)cc2F)CC1 ZINC000924996496 1323238554 /nfs/dbraw/zinc/23/85/54/1323238554.db2.gz XTTICQRLTFJWCE-CQSZACIVSA-N 0 3 348.491 3.275 10 10 EGCEHN CC[N@@H+]1CC[C@H](N(C)Cc2c([O-])cccc2Br)[C@H](C)C1 ZINC000862248795 1329470788 /nfs/dbraw/zinc/47/07/88/1329470788.db2.gz SEADOZBPZXGHCY-DOMZBBRYSA-N 0 3 341.293 3.317 10 10 EGCEHN CC[N@H+]1CC[C@H](N(C)Cc2c([O-])cccc2Br)[C@H](C)C1 ZINC000862248795 1329470789 /nfs/dbraw/zinc/47/07/89/1329470789.db2.gz SEADOZBPZXGHCY-DOMZBBRYSA-N 0 3 341.293 3.317 10 10 EGCEHN C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000863546245 1329562450 /nfs/dbraw/zinc/56/24/50/1329562450.db2.gz KFFBWJWCCKLSJR-WCABBAIRSA-N 0 3 331.229 3.085 10 10 EGCEHN C[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1cc(Br)cc(F)c1[O-] ZINC000863546245 1329562451 /nfs/dbraw/zinc/56/24/51/1329562451.db2.gz KFFBWJWCCKLSJR-WCABBAIRSA-N 0 3 331.229 3.085 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)C(C)(C)C2CCC2)N(C)C)cc1 ZINC001134882007 1376765648 /nfs/dbraw/zinc/76/56/48/1376765648.db2.gz JWFYGSZFHZQDNX-SFHVURJKSA-N 0 3 331.504 3.298 10 10 EGCEHN CN(C)Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(F)c1 ZINC001161700271 1382484528 /nfs/dbraw/zinc/48/45/28/1382484528.db2.gz VHDLPZQGPWNICM-UHFFFAOYSA-N 0 3 343.362 3.302 10 10 EGCEHN COc1ccc(CN(CCO)Cc2ccc(N(C)C)c(C)c2)cc1 ZINC001175679471 1385371555 /nfs/dbraw/zinc/37/15/55/1385371555.db2.gz WPVLIMTZNBZEIN-UHFFFAOYSA-N 0 3 328.456 3.064 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@@]3(C)C=CCC3)CC2)cc1C ZINC001733253314 1429402830 /nfs/dbraw/zinc/40/28/30/1429402830.db2.gz UCTUFRXXHQKMIW-IBGZPJMESA-N 0 3 328.456 3.098 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)C(C)=C3CCC3)CC2)cc1C ZINC001716681048 1420835987 /nfs/dbraw/zinc/83/59/87/1420835987.db2.gz GNNFCGIGRYTMHF-UHFFFAOYSA-N 0 3 328.456 3.242 10 10 EGCEHN CCOc1cccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000069518085 203012972 /nfs/dbraw/zinc/01/29/72/203012972.db2.gz XYHADIVLDJYWLO-CQSZACIVSA-N 0 3 338.411 3.222 10 10 EGCEHN Cc1ccc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC000054179232 132190238 /nfs/dbraw/zinc/19/02/38/132190238.db2.gz MORKYXGHGTYMOH-INIZCTEOSA-N 0 3 343.496 3.048 10 10 EGCEHN CCN(CC)c1ccc(CN2CCC(Nc3cccnn3)CC2)cc1 ZINC000120329602 454287364 /nfs/dbraw/zinc/28/73/64/454287364.db2.gz ZFZVMTHCCGMTPF-UHFFFAOYSA-N 0 3 339.487 3.399 10 10 EGCEHN Cc1ccc([O-])c(C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000121740267 454472190 /nfs/dbraw/zinc/47/21/90/454472190.db2.gz BSIIHGBOPMWBRQ-KRWDZBQOSA-N 0 3 346.496 3.267 10 10 EGCEHN Cc1ccc([O-])c(C[N@@H+](C)C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000121740267 454472192 /nfs/dbraw/zinc/47/21/92/454472192.db2.gz BSIIHGBOPMWBRQ-KRWDZBQOSA-N 0 3 346.496 3.267 10 10 EGCEHN COc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1[O-] ZINC000092813287 454639970 /nfs/dbraw/zinc/63/99/70/454639970.db2.gz LANZWFSVWMBBOY-HNNXBMFYSA-N 0 3 327.428 3.038 10 10 EGCEHN COc1cccc(C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1[O-] ZINC000092813287 454639974 /nfs/dbraw/zinc/63/99/74/454639974.db2.gz LANZWFSVWMBBOY-HNNXBMFYSA-N 0 3 327.428 3.038 10 10 EGCEHN Oc1cc2c(cc1CN1CCC(Nc3ccccc3F)CC1)OCO2 ZINC000093607976 454723652 /nfs/dbraw/zinc/72/36/52/454723652.db2.gz ZOBOPCVTZWQYPN-UHFFFAOYSA-N 0 3 344.386 3.337 10 10 EGCEHN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1[O-] ZINC000177372432 454857247 /nfs/dbraw/zinc/85/72/47/454857247.db2.gz LUWRNYUTDHWXCO-INIZCTEOSA-N 0 3 347.846 3.418 10 10 EGCEHN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c1[O-] ZINC000177372432 454857249 /nfs/dbraw/zinc/85/72/49/454857249.db2.gz LUWRNYUTDHWXCO-INIZCTEOSA-N 0 3 347.846 3.418 10 10 EGCEHN Cc1cc(O)c(CN2CCCN(C(=O)c3cccs3)CC2)cc1C ZINC000112331363 454884783 /nfs/dbraw/zinc/88/47/83/454884783.db2.gz KGMGWXPQZBWHGR-UHFFFAOYSA-N 0 3 344.480 3.419 10 10 EGCEHN CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2[O-])c2ccc(F)cc2C1 ZINC000185603990 455584461 /nfs/dbraw/zinc/58/44/61/455584461.db2.gz DFRDCPTWEJPDLY-LJQANCHMSA-N 0 3 342.414 3.423 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(c3ccccc3OC)C2)c1 ZINC000185712075 455603441 /nfs/dbraw/zinc/60/34/41/455603441.db2.gz JKEROYGRALJLNP-GJZGRUSLSA-N 0 3 342.439 3.339 10 10 EGCEHN C[C@H](N[C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N2CCCCC2)cc1 ZINC000284278468 455661521 /nfs/dbraw/zinc/66/15/21/455661521.db2.gz HJWLNPVGKWDDQX-XKGZKEIXSA-N 0 3 348.531 3.486 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC000294734557 455824368 /nfs/dbraw/zinc/82/43/68/455824368.db2.gz GNROMAWLUWOSIT-UONOGXRCSA-N 0 3 344.842 3.135 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC000294734557 455824374 /nfs/dbraw/zinc/82/43/74/455824374.db2.gz GNROMAWLUWOSIT-UONOGXRCSA-N 0 3 344.842 3.135 10 10 EGCEHN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2ccccc2[O-])C1 ZINC000291077003 456520282 /nfs/dbraw/zinc/52/02/82/456520282.db2.gz TZAKOFJVAYYSRI-LJQANCHMSA-N 0 3 332.444 3.368 10 10 EGCEHN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2ccccc2[O-])C1 ZINC000291077003 456520284 /nfs/dbraw/zinc/52/02/84/456520284.db2.gz TZAKOFJVAYYSRI-LJQANCHMSA-N 0 3 332.444 3.368 10 10 EGCEHN Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1[O-] ZINC000277368899 456797422 /nfs/dbraw/zinc/79/74/22/456797422.db2.gz FPQQKGMTUJXRBU-GOEBONIOSA-N 0 3 334.460 3.436 10 10 EGCEHN CCOc1cccc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000365143061 457728624 /nfs/dbraw/zinc/72/86/24/457728624.db2.gz UUMNFXLKDGPDFG-MRXNPFEDSA-N 0 3 329.444 3.215 10 10 EGCEHN CCOc1ccc([O-])c(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000367877385 457992981 /nfs/dbraw/zinc/99/29/81/457992981.db2.gz GVTFAYLZMNCKPC-UHFFFAOYSA-N 0 3 335.835 3.478 10 10 EGCEHN CCOc1ccc(O)c(CN2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000367877385 457992988 /nfs/dbraw/zinc/99/29/88/457992988.db2.gz GVTFAYLZMNCKPC-UHFFFAOYSA-N 0 3 335.835 3.478 10 10 EGCEHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000376949356 458427307 /nfs/dbraw/zinc/42/73/07/458427307.db2.gz OCPIEXUJAFXWKH-CVEARBPZSA-N 0 3 343.423 3.088 10 10 EGCEHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000376949356 458427312 /nfs/dbraw/zinc/42/73/12/458427312.db2.gz OCPIEXUJAFXWKH-CVEARBPZSA-N 0 3 343.423 3.088 10 10 EGCEHN CCC1(CC)CN(C(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000662506907 461273330 /nfs/dbraw/zinc/27/33/30/461273330.db2.gz OECACHOVEMHUBN-AWEZNQCLSA-N 0 3 338.455 3.205 10 10 EGCEHN O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc([O-])cs1 ZINC000732293633 575256291 /nfs/dbraw/zinc/25/62/91/575256291.db2.gz PCOACLYNZYGIMS-MQVJKMGUSA-N 0 3 342.464 3.379 10 10 EGCEHN O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc([O-])cs1 ZINC000732293633 575256295 /nfs/dbraw/zinc/25/62/95/575256295.db2.gz PCOACLYNZYGIMS-MQVJKMGUSA-N 0 3 342.464 3.379 10 10 EGCEHN CCCN(CCC)c1ccc(CN[C@H]2CC(=O)N(C(C)C)C2)cc1 ZINC000738438812 576326213 /nfs/dbraw/zinc/32/62/13/576326213.db2.gz GELQCUXWGKTMKH-SFHVURJKSA-N 0 3 331.504 3.412 10 10 EGCEHN COc1ncc(Br)cc1CNCc1cc(C)ccc1O ZINC000858249812 1328722141 /nfs/dbraw/zinc/72/21/41/1328722141.db2.gz XOOISFZOLODQHG-UHFFFAOYSA-N 0 3 337.217 3.157 10 10 EGCEHN O=[N+]([O-])c1cc(CN[C@H]2CO[C@@H](C3CC3)C2)ccc1N1CCCCC1 ZINC000858296455 1328732139 /nfs/dbraw/zinc/73/21/39/1328732139.db2.gz TVSLUPBEFUPNMX-VQIMIIECSA-N 0 3 345.443 3.242 10 10 EGCEHN COc1cccc([C@@H](C)NCc2c(C(F)(F)F)cnn2C)c1O ZINC000858452265 1328766159 /nfs/dbraw/zinc/76/61/59/1328766159.db2.gz IJUPETZKPNYYAM-SECBINFHSA-N 0 3 329.322 3.004 10 10 EGCEHN COc1ncc(Br)cc1CN[C@@H]1CCc2cccc(O)c21 ZINC000858494509 1328779105 /nfs/dbraw/zinc/77/91/05/1328779105.db2.gz KHSIWLZARGHJGA-CYBMUJFWSA-N 0 3 349.228 3.335 10 10 EGCEHN CN(C)c1cc(F)c(CN[C@H]2C[C@@](CO)(c3ccccc3)C2)cc1F ZINC000923006436 1322672801 /nfs/dbraw/zinc/67/28/01/1322672801.db2.gz HRCOMEVTKUWSQD-MOBUCQHHSA-N 0 3 346.421 3.213 10 10 EGCEHN C[C@H]([NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1[O-] ZINC000926992316 1327810289 /nfs/dbraw/zinc/81/02/89/1327810289.db2.gz IBMNWBNOUGQAFB-QCEMKRCNSA-N 0 3 332.444 3.156 10 10 EGCEHN C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000866443400 1330113203 /nfs/dbraw/zinc/11/32/03/1330113203.db2.gz LTTDEGOVKBLOMB-MMQJMDILSA-N 0 3 338.879 3.393 10 10 EGCEHN CC[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881623 1376765778 /nfs/dbraw/zinc/76/57/78/1376765778.db2.gz BGOPKDBTGCGSRF-MNEFBYGVSA-N 0 3 331.504 3.298 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2C[C@H]2C(C)C)cc1C ZINC001274470279 1378126229 /nfs/dbraw/zinc/12/62/29/1378126229.db2.gz ACTILYYLCNGIOG-HQYUYXFKSA-N 0 3 330.472 3.058 10 10 EGCEHN Cc1cc(CN(C)[C@@H](CC(C)C)C(N)=O)ccc1N1CCCCC1 ZINC001308026515 1384077300 /nfs/dbraw/zinc/07/73/00/1384077300.db2.gz LATLVRVAXXOSGZ-IBGZPJMESA-N 0 3 331.504 3.317 10 10 EGCEHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCCN1C ZINC001687776659 1396489712 /nfs/dbraw/zinc/48/97/12/1396489712.db2.gz QCLVTOCCMXHTGN-IBGZPJMESA-N 0 3 346.519 3.157 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)C(C)=C2CCC2)cc1C ZINC001732848853 1429007779 /nfs/dbraw/zinc/00/77/79/1429007779.db2.gz OTRZFXOJTDJHQU-SNAWJCMRSA-N 0 3 328.456 3.266 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)/C=C(\C)C2CC2)cc1C ZINC001716271640 1420590002 /nfs/dbraw/zinc/59/00/02/1420590002.db2.gz CHTSUUIQQZGMHI-FNKQUXTKSA-N 0 3 328.456 3.122 10 10 EGCEHN Fc1cccc2c1CC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000071837175 203124297 /nfs/dbraw/zinc/12/42/97/203124297.db2.gz RSMCYYCHPHMNKP-HXUWFJFHSA-N 0 3 326.415 3.439 10 10 EGCEHN Cc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289593688 456132650 /nfs/dbraw/zinc/13/26/50/456132650.db2.gz KMVDSYWRNLIWGN-DGCLKSJQSA-N 0 3 337.769 3.347 10 10 EGCEHN C[C@H](N[C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000159076368 455349892 /nfs/dbraw/zinc/34/98/92/455349892.db2.gz GJTGGTKTLMHUSN-JXFKEZNVSA-N 0 3 339.483 3.103 10 10 EGCEHN CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000190851521 455392089 /nfs/dbraw/zinc/39/20/89/455392089.db2.gz PYTJDBCPNFGIEG-KRWDZBQOSA-N 0 3 348.487 3.020 10 10 EGCEHN CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000190851521 455392090 /nfs/dbraw/zinc/39/20/90/455392090.db2.gz PYTJDBCPNFGIEG-KRWDZBQOSA-N 0 3 348.487 3.020 10 10 EGCEHN COc1ccc(NC(=O)[C@@H]2CCCN2Cc2cc(C)ccc2O)cc1 ZINC000091977261 454499457 /nfs/dbraw/zinc/49/94/57/454499457.db2.gz XRSVMVMNWATTSN-SFHVURJKSA-N 0 3 340.423 3.312 10 10 EGCEHN CCOc1ccc(O)c(CN2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000122806050 454570421 /nfs/dbraw/zinc/57/04/21/454570421.db2.gz NBKHXVDURUPZEV-KRWDZBQOSA-N 0 3 329.444 3.478 10 10 EGCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000122806050 454570427 /nfs/dbraw/zinc/57/04/27/454570427.db2.gz NBKHXVDURUPZEV-KRWDZBQOSA-N 0 3 329.444 3.478 10 10 EGCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000122806050 454570432 /nfs/dbraw/zinc/57/04/32/454570432.db2.gz NBKHXVDURUPZEV-KRWDZBQOSA-N 0 3 329.444 3.478 10 10 EGCEHN Cc1cc(Cl)cc(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)c1[O-] ZINC000179785330 455079473 /nfs/dbraw/zinc/07/94/73/455079473.db2.gz FDINCTGFIGTRDL-AWEZNQCLSA-N 0 3 338.879 3.039 10 10 EGCEHN Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000179938130 455102649 /nfs/dbraw/zinc/10/26/49/455102649.db2.gz JAHCTLFKHAUKPG-AWEZNQCLSA-N 0 3 343.402 3.085 10 10 EGCEHN Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000179938130 455102651 /nfs/dbraw/zinc/10/26/51/455102651.db2.gz JAHCTLFKHAUKPG-AWEZNQCLSA-N 0 3 343.402 3.085 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC)C2)c1 ZINC000185712058 455603325 /nfs/dbraw/zinc/60/33/25/455603325.db2.gz JKEROYGRALJLNP-HUUCEWRRSA-N 0 3 342.439 3.339 10 10 EGCEHN CC[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@H](O)C(F)F ZINC000295062770 455838057 /nfs/dbraw/zinc/83/80/57/455838057.db2.gz OMLPXSSACZPHJX-OLZOCXBDSA-N 0 3 340.336 3.266 10 10 EGCEHN C[C@@](CO)([NH2+]Cc1ccccc1[O-])c1ccc(Br)cc1 ZINC000285673178 455894210 /nfs/dbraw/zinc/89/42/10/455894210.db2.gz ZWPYBHCOPSLYQV-INIZCTEOSA-N 0 3 336.229 3.152 10 10 EGCEHN C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC1(CO)CC1 ZINC000188960677 456183735 /nfs/dbraw/zinc/18/37/35/456183735.db2.gz QUGWULHEJHYOFY-UHFFFAOYSA-N 0 3 327.424 3.176 10 10 EGCEHN C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC1(CO)CC1 ZINC000188960677 456183743 /nfs/dbraw/zinc/18/37/43/456183743.db2.gz QUGWULHEJHYOFY-UHFFFAOYSA-N 0 3 327.424 3.176 10 10 EGCEHN CCOc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1[O-] ZINC000282640966 456577522 /nfs/dbraw/zinc/57/75/22/456577522.db2.gz GYVVFSWFFKFCIH-CYBMUJFWSA-N 0 3 338.448 3.136 10 10 EGCEHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000277252081 456744941 /nfs/dbraw/zinc/74/49/41/456744941.db2.gz AGPYVFLRHKEWMD-GOEBONIOSA-N 0 3 334.460 3.436 10 10 EGCEHN COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cc(C)c(C)cc2[O-])cc1 ZINC000527775987 459733156 /nfs/dbraw/zinc/73/31/56/459733156.db2.gz WWEOVJDWPICTAK-LJQANCHMSA-N 0 3 340.467 3.382 10 10 EGCEHN C[C@H]1CCCCN1CC[NH2+]Cc1c([O-])cccc1Br ZINC000858099068 1328681855 /nfs/dbraw/zinc/68/18/55/1328681855.db2.gz UZHSDEYPBDVYML-LBPRGKRZSA-N 0 3 327.266 3.119 10 10 EGCEHN CC[C@@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1ccccc1[O-] ZINC000858483429 1328775372 /nfs/dbraw/zinc/77/53/72/1328775372.db2.gz MAHWFGZTIONIDV-OAHLLOKOSA-N 0 3 343.414 3.390 10 10 EGCEHN COc1ccc2c(C[NH2+][C@@H](C)c3ccccc3[O-])cc(=O)oc2c1 ZINC001197003860 1368729610 /nfs/dbraw/zinc/72/96/10/1368729610.db2.gz LCEANNQRANUVRO-LBPRGKRZSA-N 0 3 325.364 3.358 10 10 EGCEHN CC1(C)CN(Cc2ccc(N3CCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC001116866199 1370990302 /nfs/dbraw/zinc/99/03/02/1370990302.db2.gz VTSZQCWQZIPDOF-HXUWFJFHSA-N 0 3 330.472 3.057 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)C2CC3(CCC3)C2)cc1C ZINC001699293980 1412619709 /nfs/dbraw/zinc/61/97/09/1412619709.db2.gz HQHHTRHBLJEPNC-ONEGZZNKSA-N 0 3 342.483 3.346 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)C2(F)CCCCC2)cc1C ZINC001699331175 1412643368 /nfs/dbraw/zinc/64/33/68/1412643368.db2.gz OXZKYVTXDSVEDO-SREVYHEPSA-N 0 3 348.462 3.438 10 10 EGCEHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190473154 455327397 /nfs/dbraw/zinc/32/73/97/455327397.db2.gz FCXKUHLIHZXDMF-SFHVURJKSA-N 0 3 325.456 3.050 10 10 EGCEHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190473154 455327401 /nfs/dbraw/zinc/32/74/01/455327401.db2.gz FCXKUHLIHZXDMF-SFHVURJKSA-N 0 3 325.456 3.050 10 10 EGCEHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000092813352 454640775 /nfs/dbraw/zinc/64/07/75/454640775.db2.gz PTBVDPYRBJJADF-INIZCTEOSA-N 0 3 341.455 3.428 10 10 EGCEHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000092813352 454640780 /nfs/dbraw/zinc/64/07/80/454640780.db2.gz PTBVDPYRBJJADF-INIZCTEOSA-N 0 3 341.455 3.428 10 10 EGCEHN CCCOc1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c([O-])c1 ZINC000093691499 454730739 /nfs/dbraw/zinc/73/07/39/454730739.db2.gz WOYCEAPVPHCUSE-SFHVURJKSA-N 0 3 328.412 3.229 10 10 EGCEHN CCCOc1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c([O-])c1 ZINC000093691499 454730740 /nfs/dbraw/zinc/73/07/40/454730740.db2.gz WOYCEAPVPHCUSE-SFHVURJKSA-N 0 3 328.412 3.229 10 10 EGCEHN CN1C(=O)C[C@H]([NH2+]Cc2ccccc2[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000125254617 454807804 /nfs/dbraw/zinc/80/78/04/454807804.db2.gz CQIASLWFZPWTKI-YJBOKZPZSA-N 0 3 330.815 3.107 10 10 EGCEHN C[C@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000152358824 455106804 /nfs/dbraw/zinc/10/68/04/455106804.db2.gz ZPRVVZKTVBEJQX-GOEBONIOSA-N 0 3 333.451 3.087 10 10 EGCEHN Cc1cccc(CN2CCCN(C(=O)c3cccs3)CC2)c1O ZINC000180239617 455150893 /nfs/dbraw/zinc/15/08/93/455150893.db2.gz LMVZJWQCCIJDGI-UHFFFAOYSA-N 0 3 330.453 3.110 10 10 EGCEHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180594708 455204097 /nfs/dbraw/zinc/20/40/97/455204097.db2.gz ZJKQXFWDSLSHMH-GDBMZVCRSA-N 0 3 343.450 3.073 10 10 EGCEHN Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCOCC2)s1 ZINC000183597572 455310601 /nfs/dbraw/zinc/31/06/01/455310601.db2.gz VJAJVWVLKQNUSK-RDJZCZTQSA-N 0 3 346.496 3.486 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000184884866 455467231 /nfs/dbraw/zinc/46/72/31/455467231.db2.gz YETLOGCYWVAXQZ-UONOGXRCSA-N 0 3 338.411 3.393 10 10 EGCEHN C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1cc(F)ccc1[O-] ZINC000185764032 455618086 /nfs/dbraw/zinc/61/80/86/455618086.db2.gz DTSRSKNVHVOHKT-CJNGLKHVSA-N 0 3 334.435 3.363 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1[O-] ZINC000249242217 455746834 /nfs/dbraw/zinc/74/68/34/455746834.db2.gz WSPKQSFBGBJWTA-MJBXVCDLSA-N 0 3 326.234 3.120 10 10 EGCEHN Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cc(C)ccc3[O-])C2)n(C)n1 ZINC000278467391 455836545 /nfs/dbraw/zinc/83/65/45/455836545.db2.gz NHRULWKCQSEWBC-HOTGVXAUSA-N 0 3 328.460 3.062 10 10 EGCEHN COc1cc(OC)c(C[C@@H](C)[NH2+]Cc2ccccc2[O-])c(OC)c1 ZINC000295113286 455838933 /nfs/dbraw/zinc/83/89/33/455838933.db2.gz WIUVSQONHSJONS-CYBMUJFWSA-N 0 3 331.412 3.139 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000273493093 456234511 /nfs/dbraw/zinc/23/45/11/456234511.db2.gz OREVLFXUHVXSOL-KBPBESRZSA-N 0 3 337.485 3.496 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000291194237 456560472 /nfs/dbraw/zinc/56/04/72/456560472.db2.gz GWAHYDXGBLLFOM-LJQANCHMSA-N 0 3 331.843 3.490 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000291194237 456560480 /nfs/dbraw/zinc/56/04/80/456560480.db2.gz GWAHYDXGBLLFOM-LJQANCHMSA-N 0 3 331.843 3.490 10 10 EGCEHN CCOc1ccc([O-])c(C[NH+]2CCC(c3nccc(C)n3)CC2)c1 ZINC000368282968 458022521 /nfs/dbraw/zinc/02/25/21/458022521.db2.gz HLYLDDOEOYBEGM-UHFFFAOYSA-N 0 3 327.428 3.269 10 10 EGCEHN CCOc1ccc(O)c(CN2CCC(c3nccc(C)n3)CC2)c1 ZINC000368282968 458022526 /nfs/dbraw/zinc/02/25/26/458022526.db2.gz HLYLDDOEOYBEGM-UHFFFAOYSA-N 0 3 327.428 3.269 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+][C@]23C[C@H]2COC3(C)C)c1[O-] ZINC000529639950 459831705 /nfs/dbraw/zinc/83/17/05/459831705.db2.gz AJUUTRTVGFOYFF-XHDPSFHLSA-N 0 3 326.234 3.120 10 10 EGCEHN COc1ccc([C@H](C)NCc2cc(OC)c(OC)cc2O)c(OC)c1 ZINC000529652796 459832534 /nfs/dbraw/zinc/83/25/34/459832534.db2.gz PYMPLZIAPHKGHG-LBPRGKRZSA-N 0 3 347.411 3.277 10 10 EGCEHN COc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC000123181149 1293436517 /nfs/dbraw/zinc/43/65/17/1293436517.db2.gz NVTUOVBSNAOJFD-UHFFFAOYSA-N 0 3 344.430 3.248 10 10 EGCEHN COc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC000123181149 1293436520 /nfs/dbraw/zinc/43/65/20/1293436520.db2.gz NVTUOVBSNAOJFD-UHFFFAOYSA-N 0 3 344.430 3.248 10 10 EGCEHN COC(=O)c1cc(CNCc2ccc3c(c2)CCO3)[nH]c1C(C)C ZINC000894214699 1306282927 /nfs/dbraw/zinc/28/29/27/1306282927.db2.gz ZUFDYKNFQQCAFO-UHFFFAOYSA-N 0 3 328.412 3.149 10 10 EGCEHN COC(=O)c1c(CN2CCC[C@@H](OC)CC2)c2cc(F)ccc2n1C ZINC000894441797 1308889366 /nfs/dbraw/zinc/88/93/66/1308889366.db2.gz RFJRATYHPNGBIG-CQSZACIVSA-N 0 3 348.418 3.105 10 10 EGCEHN CN(C)c1ccc(/C=C/CNC[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000858208551 1328712145 /nfs/dbraw/zinc/71/21/45/1328712145.db2.gz IBWGKGRLJKSUHK-WMHVBEDNSA-N 0 3 338.377 3.356 10 10 EGCEHN Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])n1 ZINC000858590089 1328802474 /nfs/dbraw/zinc/80/24/74/1328802474.db2.gz JGVQKXDBCKPCFZ-PKPZWWHKSA-N 0 3 337.807 3.226 10 10 EGCEHN C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000925775286 1325295890 /nfs/dbraw/zinc/29/58/90/1325295890.db2.gz FKODTZAIMSVBDU-ZJUUUORDSA-N 0 3 338.320 3.306 10 10 EGCEHN CCn1nc(C)c([C@H](C)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000926597338 1327629601 /nfs/dbraw/zinc/62/96/01/1327629601.db2.gz WREIJGKHGBLAIK-GJZGRUSLSA-N 0 3 329.492 3.263 10 10 EGCEHN COc1ccc(N2CC[C@@H](N[C@H](C)c3cc(OC)ccn3)C2)cc1 ZINC000926680234 1327663264 /nfs/dbraw/zinc/66/32/64/1327663264.db2.gz LBCZKFMDFQILGI-HUUCEWRRSA-N 0 3 327.428 3.028 10 10 EGCEHN CN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000862536608 1329493790 /nfs/dbraw/zinc/49/37/90/1329493790.db2.gz QCLSLMBSXOZUIP-SFHVURJKSA-N 0 3 326.440 3.155 10 10 EGCEHN C[C@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000866443401 1330113244 /nfs/dbraw/zinc/11/32/44/1330113244.db2.gz LTTDEGOVKBLOMB-NPSOMJIGSA-N 0 3 338.879 3.393 10 10 EGCEHN Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccccc2O)N(C)C)cc1 ZINC000868212682 1330262554 /nfs/dbraw/zinc/26/25/54/1330262554.db2.gz ADQXAFXEIKXNGJ-YJBOKZPZSA-N 0 3 341.455 3.364 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@@]3(C)CC=CCC3)CC2)cc1C ZINC001323441158 1387370163 /nfs/dbraw/zinc/37/01/63/1387370163.db2.gz FTAZGELTZXKKFC-FQEVSTJZSA-N 0 3 342.483 3.488 10 10 EGCEHN O=C1C[C@@H](c2ccccc2)N(Cc2ccc(N3CCCC3)cc2)CCN1 ZINC001116440077 1370911003 /nfs/dbraw/zinc/91/10/03/1370911003.db2.gz KEIRYOPGQWWGMJ-NRFANRHFSA-N 0 3 349.478 3.350 10 10 EGCEHN C[C@@H]1CCC[C@@]1(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881804 1376765125 /nfs/dbraw/zinc/76/51/25/1376765125.db2.gz HUYFBLQIYAHXGX-XFQXTVEOSA-N 0 3 331.504 3.298 10 10 EGCEHN C[C@@H]1CN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)[C@@H](C)[C@H]1C ZINC001313410841 1384416520 /nfs/dbraw/zinc/41/65/20/1384416520.db2.gz FWWSXWQITBRYRQ-PASDCYSWSA-N 0 3 346.519 3.041 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CC[C@H](C)C2)cc1C ZINC001715876254 1420379729 /nfs/dbraw/zinc/37/97/29/1420379729.db2.gz IGYVGYGCVVVJRO-PUBSZHEZSA-N 0 3 330.472 3.202 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@H]3C(C)(C)C)CC2)cc1C ZINC001723538383 1424456247 /nfs/dbraw/zinc/45/62/47/1424456247.db2.gz SAOAXUMYBQXGMY-IAGOWNOFSA-N 0 3 344.499 3.424 10 10 EGCEHN COc1cc(Cl)cc(C[N@H+](C)CCc2ncc(C)s2)c1[O-] ZINC000184700527 455431420 /nfs/dbraw/zinc/43/14/20/455431420.db2.gz CYWBJPKVGNEFQB-UHFFFAOYSA-N 0 3 326.849 3.494 10 10 EGCEHN COc1cc(Cl)cc(C[N@@H+](C)CCc2ncc(C)s2)c1[O-] ZINC000184700527 455431423 /nfs/dbraw/zinc/43/14/23/455431423.db2.gz CYWBJPKVGNEFQB-UHFFFAOYSA-N 0 3 326.849 3.494 10 10 EGCEHN COc1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1[O-] ZINC000122878001 454577593 /nfs/dbraw/zinc/57/75/93/454577593.db2.gz YNWISGHNDRKVKP-INIZCTEOSA-N 0 3 340.423 3.252 10 10 EGCEHN COc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1[O-] ZINC000122878001 454577597 /nfs/dbraw/zinc/57/75/97/454577597.db2.gz YNWISGHNDRKVKP-INIZCTEOSA-N 0 3 340.423 3.252 10 10 EGCEHN COc1cccc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c1O ZINC000093048797 454675081 /nfs/dbraw/zinc/67/50/81/454675081.db2.gz GKRBOZRGBQMIRW-HNNXBMFYSA-N 0 3 327.380 3.467 10 10 EGCEHN C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000152359204 455106831 /nfs/dbraw/zinc/10/68/31/455106831.db2.gz ZPRVVZKTVBEJQX-ZBFHGGJFSA-N 0 3 333.451 3.087 10 10 EGCEHN Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000190469094 455326102 /nfs/dbraw/zinc/32/61/02/455326102.db2.gz XSCUARTWPFVXHJ-AWEZNQCLSA-N 0 3 349.475 3.250 10 10 EGCEHN Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000190469094 455326103 /nfs/dbraw/zinc/32/61/03/455326103.db2.gz XSCUARTWPFVXHJ-AWEZNQCLSA-N 0 3 349.475 3.250 10 10 EGCEHN CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1[O-] ZINC000267354004 455545031 /nfs/dbraw/zinc/54/50/31/455545031.db2.gz GMSKXBFBCZQSHF-UHFFFAOYSA-N 0 3 333.819 3.351 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000185979808 455667877 /nfs/dbraw/zinc/66/78/77/455667877.db2.gz KPCKOUMHRHVABJ-OLZOCXBDSA-N 0 3 338.448 3.355 10 10 EGCEHN Cn1nccc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000284691813 455727095 /nfs/dbraw/zinc/72/70/95/455727095.db2.gz JCJLJIDHGVWPCM-ICSRJNTNSA-N 0 3 340.471 3.030 10 10 EGCEHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3[O-])CC[C@H]21 ZINC000292781243 455756535 /nfs/dbraw/zinc/75/65/35/455756535.db2.gz LLBCSRJJSHODDU-GDBMZVCRSA-N 0 3 332.444 3.224 10 10 EGCEHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@H]21 ZINC000292781243 455756542 /nfs/dbraw/zinc/75/65/42/455756542.db2.gz LLBCSRJJSHODDU-GDBMZVCRSA-N 0 3 332.444 3.224 10 10 EGCEHN CN(C)c1ccc(CN[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000271817738 455772099 /nfs/dbraw/zinc/77/20/99/455772099.db2.gz MIGSHWREDMTATB-KRWDZBQOSA-N 0 3 349.272 3.338 10 10 EGCEHN COc1cc(Cl)cc(CNCc2ccnc(OC(F)F)c2)c1O ZINC000285204619 455804141 /nfs/dbraw/zinc/80/41/41/455804141.db2.gz QZQHLLVSOJFUDU-UHFFFAOYSA-N 0 3 344.745 3.340 10 10 EGCEHN COc1cc(OC)c(CN[C@H]2CCc3cccc(O)c32)c(OC)c1 ZINC000296126326 455869707 /nfs/dbraw/zinc/86/97/07/455869707.db2.gz VOGASMPIYDFPJT-HNNXBMFYSA-N 0 3 329.396 3.195 10 10 EGCEHN CCOc1cccc(CN(C)Cc2cc(OC)cc(OC)c2)c1O ZINC000271082348 456120976 /nfs/dbraw/zinc/12/09/76/456120976.db2.gz XBUGTISWKMCIHW-UHFFFAOYSA-N 0 3 331.412 3.440 10 10 EGCEHN Cc1cccc2c1OCC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000188880733 456159224 /nfs/dbraw/zinc/15/92/24/456159224.db2.gz RFAFNGDTRRXACU-HXUWFJFHSA-N 0 3 338.451 3.445 10 10 EGCEHN C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1cc2c(cc1[O-])CCCC2 ZINC000282968508 456677092 /nfs/dbraw/zinc/67/70/92/456677092.db2.gz CZKIZTIYJIWURX-UGSOOPFHSA-N 0 3 328.456 3.123 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c([O-])c1C ZINC000283370711 456767828 /nfs/dbraw/zinc/76/78/28/456767828.db2.gz NXWZPZDNTWYHGA-FCEWJHQRSA-N 0 3 333.472 3.227 10 10 EGCEHN [O-]c1cc2c(cc1C[NH2+][C@@H]1[C@@H]3Cc4cc(Cl)ccc4[C@@H]31)OCO2 ZINC000527750305 459723667 /nfs/dbraw/zinc/72/36/67/459723667.db2.gz VGXKOJLABSMJJV-JEBQAFNWSA-N 0 3 329.783 3.202 10 10 EGCEHN CC(C)(C)[C@@H]1CN(C(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000662545339 461291326 /nfs/dbraw/zinc/29/13/26/461291326.db2.gz OVTSATHNPCJGLE-CZUORRHYSA-N 0 3 338.455 3.277 10 10 EGCEHN Oc1cc2c(cc1CN1CCC[C@@H]1c1ccc3c(c1)OCO3)OCO2 ZINC000728285714 574735800 /nfs/dbraw/zinc/73/58/00/574735800.db2.gz LWCUAMUZRZQEQI-CQSZACIVSA-N 0 3 341.363 3.187 10 10 EGCEHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@H]3CCN(C4CC4)C3)c2c1 ZINC000732188748 575243023 /nfs/dbraw/zinc/24/30/23/575243023.db2.gz KVCWHVHVIJFVSK-INIZCTEOSA-N 0 3 326.440 3.223 10 10 EGCEHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@H]3CCN(C4CC4)C3)c2c1 ZINC000732188748 575243024 /nfs/dbraw/zinc/24/30/24/575243024.db2.gz KVCWHVHVIJFVSK-INIZCTEOSA-N 0 3 326.440 3.223 10 10 EGCEHN Cc1cc(C)c([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c([O-])c1 ZINC000872118475 1296743846 /nfs/dbraw/zinc/74/38/46/1296743846.db2.gz AKCLNSQUFBQDIE-HNSVSWJLSA-N 0 3 337.485 3.015 10 10 EGCEHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2[O-])C12CCC2 ZINC000858225868 1328714799 /nfs/dbraw/zinc/71/47/99/1328714799.db2.gz JOSORRZYQXMHPR-INIZCTEOSA-N 0 3 332.444 3.414 10 10 EGCEHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cnn(C2CCC2)c1 ZINC000924750772 1323145324 /nfs/dbraw/zinc/14/53/24/1323145324.db2.gz PQJPAKLRUTXVEA-INIZCTEOSA-N 0 3 340.471 3.296 10 10 EGCEHN COc1ccc(N2CC[C@@H](CN[C@@H]3CCCc4oc(C)nc43)C2)cc1 ZINC000926610502 1327634747 /nfs/dbraw/zinc/63/47/47/1327634747.db2.gz DTVVTXGCDUYOHL-MAUKXSAKSA-N 0 3 341.455 3.485 10 10 EGCEHN CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000926908288 1327769625 /nfs/dbraw/zinc/76/96/25/1327769625.db2.gz HYJJEHGDPVQESU-AWEZNQCLSA-N 0 3 333.453 3.079 10 10 EGCEHN C[C@@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1cc(Br)c(F)cc1[O-] ZINC000863544861 1329562343 /nfs/dbraw/zinc/56/23/43/1329562343.db2.gz CYXHNCQMCVHWDF-OPRDCNLKSA-N 0 3 331.229 3.085 10 10 EGCEHN C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)c(F)cc1[O-] ZINC000863544861 1329562344 /nfs/dbraw/zinc/56/23/44/1329562344.db2.gz CYXHNCQMCVHWDF-OPRDCNLKSA-N 0 3 331.229 3.085 10 10 EGCEHN CC1(c2ccc(CNCc3ccc4c(c3)CCO4)cc2)OCCO1 ZINC000865670151 1329727523 /nfs/dbraw/zinc/72/75/23/1329727523.db2.gz RCTVQMSKMWBTAA-UHFFFAOYSA-N 0 3 325.408 3.131 10 10 EGCEHN C[C@@H]1C[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000866437415 1330112627 /nfs/dbraw/zinc/11/26/27/1330112627.db2.gz GQXAXDWUCMYYTR-YPMHNXCESA-N 0 3 339.407 3.028 10 10 EGCEHN C[C@H](NC1CN(c2ccncn2)C1)c1ccc(N2CCCCC2)cc1 ZINC000866494820 1330118380 /nfs/dbraw/zinc/11/83/80/1330118380.db2.gz SZJICPKJMINQMA-INIZCTEOSA-N 0 3 337.471 3.006 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)C[C@@H](C)C3CC3)CC2)cc1C ZINC001323617048 1387408470 /nfs/dbraw/zinc/40/84/70/1387408470.db2.gz RMFSVMRMLLOOFZ-CQSZACIVSA-N 0 3 330.472 3.178 10 10 EGCEHN CC[C@@H]1CCCCN1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001136733388 1377418569 /nfs/dbraw/zinc/41/85/69/1377418569.db2.gz WCXOSUZTMZKKJI-CYBMUJFWSA-N 0 3 348.468 3.307 10 10 EGCEHN CC[C@@H]1C[C@H](C)CN1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001313410097 1384416527 /nfs/dbraw/zinc/41/65/27/1384416527.db2.gz DMVPDHAUUKSBCA-KVSKMBFKSA-N 0 3 346.519 3.185 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)CC3CCCC3)CC2)cc1C ZINC001733235462 1429373846 /nfs/dbraw/zinc/37/38/46/1429373846.db2.gz PLUVGEGQPKWTLU-UHFFFAOYSA-N 0 3 330.472 3.322 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)c3[nH]c(C)cc3C)CC2)cc1C ZINC001733247843 1429394410 /nfs/dbraw/zinc/39/44/10/1429394410.db2.gz SUWMJJDJOCKFCL-UHFFFAOYSA-N 0 3 341.455 3.001 10 10 EGCEHN Cc1cc(/C=C2\SC(=S)N(CCN(C)C)C2=O)c(C)n1C1CC1 ZINC000014184677 201366082 /nfs/dbraw/zinc/36/60/82/201366082.db2.gz JTBZCUNNMPFQMU-GDNBJRDFSA-N 0 3 349.525 3.203 10 10 EGCEHN C[C@@H](N[C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000159076818 455350020 /nfs/dbraw/zinc/35/00/20/455350020.db2.gz GJTGGTKTLMHUSN-OXQOHEQNSA-N 0 3 339.483 3.103 10 10 EGCEHN CCOCc1cc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)ccc1OC ZINC000051188584 454613312 /nfs/dbraw/zinc/61/33/12/454613312.db2.gz OABDQORFYIIALQ-QGZVFWFLSA-N 0 3 342.439 3.087 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCSC3(CCOCC3)C2)c1[O-] ZINC000186487566 455779086 /nfs/dbraw/zinc/77/90/86/455779086.db2.gz ZKFWMHFSCBQHBC-UHFFFAOYSA-N 0 3 327.877 3.452 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CCSC3(CCOCC3)C2)c1[O-] ZINC000186487566 455779090 /nfs/dbraw/zinc/77/90/90/455779090.db2.gz ZKFWMHFSCBQHBC-UHFFFAOYSA-N 0 3 327.877 3.452 10 10 EGCEHN CC1(CCCC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)OCCO1 ZINC000278567835 455839835 /nfs/dbraw/zinc/83/98/35/455839835.db2.gz IYAMLOUJNSAXSU-GOSISDBHSA-N 0 3 349.471 3.307 10 10 EGCEHN CC1(CCCC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)OCCO1 ZINC000278567835 455839838 /nfs/dbraw/zinc/83/98/38/455839838.db2.gz IYAMLOUJNSAXSU-GOSISDBHSA-N 0 3 349.471 3.307 10 10 EGCEHN CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])C1 ZINC000187023444 455863737 /nfs/dbraw/zinc/86/37/37/455863737.db2.gz DOKJEARMMWESHG-QWHCGFSZSA-N 0 3 341.293 3.456 10 10 EGCEHN COc1cccc(C[NH2+]CC2CCN(c3ccccc3)CC2)c1[O-] ZINC000280608541 456012187 /nfs/dbraw/zinc/01/21/87/456012187.db2.gz OPYVDCVUDNSJRR-UHFFFAOYSA-N 0 3 326.440 3.407 10 10 EGCEHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c([O-])c1C ZINC000273433898 456229665 /nfs/dbraw/zinc/22/96/65/456229665.db2.gz WKCAJHTYVNHWJN-HZPDHXFCSA-N 0 3 326.444 3.119 10 10 EGCEHN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)cc(C)c1[O-])CC2 ZINC000305756585 456554761 /nfs/dbraw/zinc/55/47/61/456554761.db2.gz AKHWFYVEQHAQNA-HOTGVXAUSA-N 0 3 339.863 3.106 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1[O-] ZINC000375305122 457875065 /nfs/dbraw/zinc/87/50/65/457875065.db2.gz WBBXQMKRJZWWSP-MRXNPFEDSA-N 0 3 340.261 3.466 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1[O-] ZINC000375305122 457875070 /nfs/dbraw/zinc/87/50/70/457875070.db2.gz WBBXQMKRJZWWSP-MRXNPFEDSA-N 0 3 340.261 3.466 10 10 EGCEHN Cc1cc(Cl)cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1[O-] ZINC000367753759 457978766 /nfs/dbraw/zinc/97/87/66/457978766.db2.gz LCPJBGUFXJPFSQ-BRWVUGGUSA-N 0 3 338.879 3.038 10 10 EGCEHN c1cc(N2CCOCC2)ccc1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000368217653 458019368 /nfs/dbraw/zinc/01/93/68/458019368.db2.gz ZQJDWSWSLKEGCL-PMACEKPBSA-N 0 3 342.483 3.057 10 10 EGCEHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000376949357 458427147 /nfs/dbraw/zinc/42/71/47/458427147.db2.gz OCPIEXUJAFXWKH-HOTGVXAUSA-N 0 3 343.423 3.088 10 10 EGCEHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000376949357 458427150 /nfs/dbraw/zinc/42/71/50/458427150.db2.gz OCPIEXUJAFXWKH-HOTGVXAUSA-N 0 3 343.423 3.088 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(C)COc3ccccc3O2)c1 ZINC000527926911 459773756 /nfs/dbraw/zinc/77/37/56/459773756.db2.gz ADFSXPDARWQCSS-DJJJIMSYSA-N 0 3 329.396 3.282 10 10 EGCEHN Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@H](O)C(F)F)c1[O-] ZINC000866442181 1330112758 /nfs/dbraw/zinc/11/27/58/1330112758.db2.gz GJNFXHIEAKVYKO-KWQFWETISA-N 0 3 338.192 3.130 10 10 EGCEHN CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651502 1300651671 /nfs/dbraw/zinc/65/16/71/1300651671.db2.gz YNLVQMVJDBEHDO-STQMWFEESA-N 0 3 326.396 3.273 10 10 EGCEHN COC[C@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000895623455 1309433103 /nfs/dbraw/zinc/43/31/03/1309433103.db2.gz SWCYXTVCUPPRQT-MAEOIBBWSA-N 0 3 327.424 3.486 10 10 EGCEHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015221 1328659724 /nfs/dbraw/zinc/65/97/24/1328659724.db2.gz SYKHWIVLWBCPGJ-INIZCTEOSA-N 0 3 340.423 3.327 10 10 EGCEHN COc1cccc([O-])c1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015221 1328659727 /nfs/dbraw/zinc/65/97/27/1328659727.db2.gz SYKHWIVLWBCPGJ-INIZCTEOSA-N 0 3 340.423 3.327 10 10 EGCEHN C[C@@H](N[C@H]1CCN(C2CCC2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000858602470 1328806538 /nfs/dbraw/zinc/80/65/38/1328806538.db2.gz ADKSGEHUWOMCKE-UZLBHIALSA-N 0 3 341.499 3.481 10 10 EGCEHN C[C@@H](N[C@@H]1CCN(C2CCC2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000858602469 1328806670 /nfs/dbraw/zinc/80/66/70/1328806670.db2.gz ADKSGEHUWOMCKE-OXQOHEQNSA-N 0 3 341.499 3.481 10 10 EGCEHN CCCN(CC(F)(F)F)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000859258246 1328956270 /nfs/dbraw/zinc/95/62/70/1328956270.db2.gz KZKJVJFJIBCIED-ZDUSSCGKSA-N 0 3 345.409 3.204 10 10 EGCEHN C[C@@H](NCc1cc(N)ccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000925771949 1325294220 /nfs/dbraw/zinc/29/42/20/1325294220.db2.gz PISWISCIQSDNBN-CYBMUJFWSA-N 0 3 346.862 3.005 10 10 EGCEHN CCn1nc(C)c([C@@H](C)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000926597341 1327630598 /nfs/dbraw/zinc/63/05/98/1327630598.db2.gz WREIJGKHGBLAIK-LSDHHAIUSA-N 0 3 329.492 3.263 10 10 EGCEHN COc1ccc(N2CC[C@@H](NCc3cnc4ccccc4n3)C2)cc1 ZINC000862407875 1329483789 /nfs/dbraw/zinc/48/37/89/1329483789.db2.gz PNQWSULMUXRKGC-OAHLLOKOSA-N 0 3 334.423 3.007 10 10 EGCEHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c1[O-] ZINC000862436068 1329486790 /nfs/dbraw/zinc/48/67/90/1329486790.db2.gz VRODQFQNIUFFOV-INIZCTEOSA-N 0 3 333.815 3.285 10 10 EGCEHN [O-]c1cc2c(cc1C[N@@H+]1C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C1)[C@H](O)CO2 ZINC000863321079 1329546270 /nfs/dbraw/zinc/54/62/70/1329546270.db2.gz NVIPQKYDGFENHG-LBLLVPRASA-N 0 3 337.419 3.054 10 10 EGCEHN [O-]c1cc2c(cc1C[N@H+]1C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C1)[C@H](O)CO2 ZINC000863321079 1329546272 /nfs/dbraw/zinc/54/62/72/1329546272.db2.gz NVIPQKYDGFENHG-LBLLVPRASA-N 0 3 337.419 3.054 10 10 EGCEHN [O-]c1cc2c(cc1C[N@@H+]1C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C1)[C@@H](O)CO2 ZINC000863321080 1329546463 /nfs/dbraw/zinc/54/64/63/1329546463.db2.gz NVIPQKYDGFENHG-LLYILUEJSA-N 0 3 337.419 3.054 10 10 EGCEHN [O-]c1cc2c(cc1C[N@H+]1C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C1)[C@@H](O)CO2 ZINC000863321080 1329546465 /nfs/dbraw/zinc/54/64/65/1329546465.db2.gz NVIPQKYDGFENHG-LLYILUEJSA-N 0 3 337.419 3.054 10 10 EGCEHN Cc1cc(CNC(=O)[C@@H]2CCCN2C2CC2)c(C)n1-c1ccccc1 ZINC001151154474 1379668429 /nfs/dbraw/zinc/66/84/29/1379668429.db2.gz WEOOEJCIWMULPZ-FQEVSTJZSA-N 0 3 337.467 3.337 10 10 EGCEHN O=C(NCc1cc(O)ccc1O)c1cccc(CN2CCCCC2)c1 ZINC001303225192 1383788731 /nfs/dbraw/zinc/78/87/31/1383788731.db2.gz AVSFHCRWMHKJSR-UHFFFAOYSA-N 0 3 340.423 3.014 10 10 EGCEHN Cc1cc(/C=C2/SC(=S)N(CCN(C)C)C2=O)c(C)n1C1CC1 ZINC000032873863 202238543 /nfs/dbraw/zinc/23/85/43/202238543.db2.gz JTBZCUNNMPFQMU-XNTDXEJSSA-N 0 3 349.525 3.203 10 10 EGCEHN Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCOCC2)s1 ZINC000183597586 455310384 /nfs/dbraw/zinc/31/03/84/455310384.db2.gz VJAJVWVLKQNUSK-NVXWUHKLSA-N 0 3 346.496 3.486 10 10 EGCEHN COc1ccc(CNCc2cccc(N3CCOC3=O)c2)cc1C ZINC000066974137 453891368 /nfs/dbraw/zinc/89/13/68/453891368.db2.gz QFMRRONTTJVERW-UHFFFAOYSA-N 0 3 326.396 3.250 10 10 EGCEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000176978196 454807233 /nfs/dbraw/zinc/80/72/33/454807233.db2.gz CZVQYFROUOZJGG-KRWDZBQOSA-N 0 3 340.471 3.045 10 10 EGCEHN COc1cc(O)c(CN2CCC[C@H]2c2c(C)nn(C)c2C)cc1OC ZINC000180136089 455138003 /nfs/dbraw/zinc/13/80/03/455138003.db2.gz KFNHBJKGPUFOQM-HNNXBMFYSA-N 0 3 345.443 3.097 10 10 EGCEHN CCC[N@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1[O-] ZINC000185014151 455487143 /nfs/dbraw/zinc/48/71/43/455487143.db2.gz RCZUCUOYMHXVIE-UHFFFAOYSA-N 0 3 326.400 3.193 10 10 EGCEHN CCC[N@@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1[O-] ZINC000185014151 455487144 /nfs/dbraw/zinc/48/71/44/455487144.db2.gz RCZUCUOYMHXVIE-UHFFFAOYSA-N 0 3 326.400 3.193 10 10 EGCEHN CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000185059509 455494194 /nfs/dbraw/zinc/49/41/94/455494194.db2.gz ZZGCLPSPUXDLMH-NWDGAFQWSA-N 0 3 327.266 3.147 10 10 EGCEHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000185171102 455515694 /nfs/dbraw/zinc/51/56/94/455515694.db2.gz OVIVKIXVYSPTKA-NEPJUHHUSA-N 0 3 337.416 3.347 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)c1 ZINC000185539517 455575513 /nfs/dbraw/zinc/57/55/13/455575513.db2.gz ZTWXAPQZDGWCNJ-OAHLLOKOSA-N 0 3 341.455 3.424 10 10 EGCEHN CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc3c(cc1[O-])CCCC3)CC2 ZINC000185995669 455671028 /nfs/dbraw/zinc/67/10/28/455671028.db2.gz HUDPRURTVVIYRD-BBRMVZONSA-N 0 3 340.471 3.091 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1[O-] ZINC000271889070 455798632 /nfs/dbraw/zinc/79/86/32/455798632.db2.gz RLCYBZUYSMQZCR-KRWDZBQOSA-N 0 3 344.842 3.245 10 10 EGCEHN Cc1cccnc1CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000294706914 455825389 /nfs/dbraw/zinc/82/53/89/455825389.db2.gz BQXIYZJUMNIIFZ-UHFFFAOYSA-N 0 3 335.245 3.499 10 10 EGCEHN CC[C@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1)c1ccccc1[O-] ZINC000278416076 455835317 /nfs/dbraw/zinc/83/53/17/455835317.db2.gz IEADKOFDYDMSJA-RDJZCZTQSA-N 0 3 328.460 3.144 10 10 EGCEHN CC[C@@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(C)cc1[O-] ZINC000280058371 455882813 /nfs/dbraw/zinc/88/28/13/455882813.db2.gz KDWAJIAWLPPOED-FUHWJXTLSA-N 0 3 342.487 3.452 10 10 EGCEHN Cc1cnn(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])c1 ZINC000187313733 455894509 /nfs/dbraw/zinc/89/45/09/455894509.db2.gz RWIPDMJFTUXDJW-GFCCVEGCSA-N 0 3 338.249 3.319 10 10 EGCEHN Oc1ccc(-c2ccccc2)cc1CN1CCO[C@]2(CCCOC2)C1 ZINC000289575627 456130849 /nfs/dbraw/zinc/13/08/49/456130849.db2.gz SUUWQPBRPULOGY-OAQYLSRUSA-N 0 3 339.435 3.441 10 10 EGCEHN Cc1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289593699 456132303 /nfs/dbraw/zinc/13/23/03/456132303.db2.gz KMVDSYWRNLIWGN-YPMHNXCESA-N 0 3 337.769 3.347 10 10 EGCEHN Oc1ccc(-c2ccccc2)cc1CN1CCO[C@]2(CCOC2)C1 ZINC000274406281 456258004 /nfs/dbraw/zinc/25/80/04/456258004.db2.gz HZOPVDGTPBVKEY-HXUWFJFHSA-N 0 3 325.408 3.051 10 10 EGCEHN C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1[O-] ZINC000530215195 458719842 /nfs/dbraw/zinc/71/98/42/458719842.db2.gz FAXLNEYKWWSCPG-QMTHXVAHSA-N 0 3 325.250 3.090 10 10 EGCEHN CCCN(CCC)c1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1 ZINC000742392570 576778670 /nfs/dbraw/zinc/77/86/70/576778670.db2.gz QVQVALAFDWTTBT-YVWKXTFCSA-N 0 3 343.515 3.412 10 10 EGCEHN Cc1cc([C@@H](N)CC(=O)N[C@H](C)c2ccccc2O)cc(Cl)n1 ZINC000870988222 1296165362 /nfs/dbraw/zinc/16/53/62/1296165362.db2.gz JFEXPLCSWUUMRR-RISCZKNCSA-N 0 3 333.819 3.016 10 10 EGCEHN COC(=O)c1c(CN[C@@H]2CCC(F)(F)C2)c2cc(F)ccc2n1C ZINC000894349873 1306355262 /nfs/dbraw/zinc/35/52/62/1306355262.db2.gz IVRDXGWKSJKYKZ-LLVKDONJSA-N 0 3 340.345 3.381 10 10 EGCEHN [O-]c1ccccc1C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000858245907 1328721076 /nfs/dbraw/zinc/72/10/76/1328721076.db2.gz YHMSHPYXZJOAEK-KRWDZBQOSA-N 0 3 332.831 3.041 10 10 EGCEHN C[C@H](c1ccccc1)[N@H+](CCc1cn(C)nn1)Cc1ccccc1[O-] ZINC000859219501 1328950238 /nfs/dbraw/zinc/95/02/38/1328950238.db2.gz ZWSCUTCXBDOVJA-MRXNPFEDSA-N 0 3 336.439 3.327 10 10 EGCEHN C[C@H](c1ccccc1)[N@@H+](CCc1cn(C)nn1)Cc1ccccc1[O-] ZINC000859219501 1328950240 /nfs/dbraw/zinc/95/02/40/1328950240.db2.gz ZWSCUTCXBDOVJA-MRXNPFEDSA-N 0 3 336.439 3.327 10 10 EGCEHN Cc1c(CN[C@H](C)c2ccc(N3CCOCC3)cc2)ccnc1F ZINC000862275146 1329473302 /nfs/dbraw/zinc/47/33/02/1329473302.db2.gz LYGUPJNKOQEXAD-OAHLLOKOSA-N 0 3 329.419 3.217 10 10 EGCEHN Cc1ccc(O)c(CN2CCN(Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000862535250 1329493463 /nfs/dbraw/zinc/49/34/63/1329493463.db2.gz YTBYANFKLKZTNF-UHFFFAOYSA-N 0 3 335.451 3.500 10 10 EGCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1[O-] ZINC000866447084 1330113550 /nfs/dbraw/zinc/11/35/50/1330113550.db2.gz HMLFPJJDVFKJAM-AVWBDOJWSA-N 0 3 344.249 3.380 10 10 EGCEHN COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c1[O-] ZINC000866639884 1330136846 /nfs/dbraw/zinc/13/68/46/1330136846.db2.gz YJGCZCAKYLIHSW-WQAKAFBOSA-N 0 3 344.249 3.117 10 10 EGCEHN C=C/C(C)=C/CC(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001323515662 1387379543 /nfs/dbraw/zinc/37/95/43/1387379543.db2.gz CSACULCMQNCOJY-GIDUJCDVSA-N 0 3 328.456 3.264 10 10 EGCEHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001303989990 1383819711 /nfs/dbraw/zinc/81/97/11/1383819711.db2.gz VHWDEZKXKFROBO-LJQANCHMSA-N 0 3 339.483 3.473 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)c2cc(C)cs2)cc1C ZINC001321051759 1386795314 /nfs/dbraw/zinc/79/53/14/1386795314.db2.gz BGACXXHVQVDBSW-PLNGDYQASA-N 0 3 344.480 3.449 10 10 EGCEHN CCOc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1[O-] ZINC000069518084 203012659 /nfs/dbraw/zinc/01/26/59/203012659.db2.gz XYHADIVLDJYWLO-AWEZNQCLSA-N 0 3 338.411 3.222 10 10 EGCEHN CCOc1cccc(C[NH2+]Cc2ccc(Cn3cccn3)cc2)c1[O-] ZINC000069532789 203016510 /nfs/dbraw/zinc/01/65/10/203016510.db2.gz HWCRBJOKFBYSGF-UHFFFAOYSA-N 0 3 337.423 3.326 10 10 EGCEHN CCOc1cccc(CNCc2ccc(Cn3cccn3)cc2)c1O ZINC000069532789 203016515 /nfs/dbraw/zinc/01/65/15/203016515.db2.gz HWCRBJOKFBYSGF-UHFFFAOYSA-N 0 3 337.423 3.326 10 10 EGCEHN CN(C)c1ccc(CN2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000120885398 454360083 /nfs/dbraw/zinc/36/00/83/454360083.db2.gz ILBKZGSBCKBUJE-UHFFFAOYSA-N 0 3 335.455 3.175 10 10 EGCEHN CCOc1cccc(C[N@@H+]2CCC[C@@H](n3ccnc3CC)C2)c1[O-] ZINC000122882419 454578989 /nfs/dbraw/zinc/57/89/89/454578989.db2.gz UBJWWGNSSLHJMM-MRXNPFEDSA-N 0 3 329.444 3.387 10 10 EGCEHN CCOc1cccc(C[N@H+]2CCC[C@@H](n3ccnc3CC)C2)c1[O-] ZINC000122882419 454578992 /nfs/dbraw/zinc/57/89/92/454578992.db2.gz UBJWWGNSSLHJMM-MRXNPFEDSA-N 0 3 329.444 3.387 10 10 EGCEHN c1csc([C@H]2CCCN(Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000092788672 454633561 /nfs/dbraw/zinc/63/35/61/454633561.db2.gz XQTXLWGVPFVGSW-KRWDZBQOSA-N 0 3 343.496 3.359 10 10 EGCEHN CCOc1ccc([O-])c(C[NH2+]CCCc2nc3ccccc3n2C)c1 ZINC000124375426 454726144 /nfs/dbraw/zinc/72/61/44/454726144.db2.gz AAMAIBAJOWLAOK-UHFFFAOYSA-N 0 3 339.439 3.400 10 10 EGCEHN Oc1ccccc1CN(Cc1cnn2ccccc12)C[C@H]1CCCO1 ZINC000179570737 455059918 /nfs/dbraw/zinc/05/99/18/455059918.db2.gz VTQUVUYJLHXPQJ-GOSISDBHSA-N 0 3 337.423 3.221 10 10 EGCEHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cc1OC ZINC000179949999 455104135 /nfs/dbraw/zinc/10/41/35/455104135.db2.gz GRGYOCJFDKRTPG-MRXNPFEDSA-N 0 3 328.412 3.096 10 10 EGCEHN COc1cc([O-])c(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1OC ZINC000179949999 455104137 /nfs/dbraw/zinc/10/41/37/455104137.db2.gz GRGYOCJFDKRTPG-MRXNPFEDSA-N 0 3 328.412 3.096 10 10 EGCEHN COc1cc(O)c(CN2CC[C@@H](Nc3ccccc3)C2)cc1OC ZINC000179949999 455104140 /nfs/dbraw/zinc/10/41/40/455104140.db2.gz GRGYOCJFDKRTPG-MRXNPFEDSA-N 0 3 328.412 3.096 10 10 EGCEHN CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cc(C)ccc2[O-])n1 ZINC000191559455 455497129 /nfs/dbraw/zinc/49/71/29/455497129.db2.gz JYUHLRWZZSIVOC-LBPRGKRZSA-N 0 3 334.441 3.227 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)c1 ZINC000185477780 455564146 /nfs/dbraw/zinc/56/41/46/455564146.db2.gz VRRJAFAGOJGFPI-HNNXBMFYSA-N 0 3 341.455 3.424 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000185762926 455616915 /nfs/dbraw/zinc/61/69/15/455616915.db2.gz KRVDSNMIRINWDT-GOEBONIOSA-N 0 3 346.471 3.233 10 10 EGCEHN C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000277621887 455617501 /nfs/dbraw/zinc/61/75/01/455617501.db2.gz XEYICNNPJMSUMY-HNAYVOBHSA-N 0 3 327.424 3.486 10 10 EGCEHN CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1)c1ccccc1[O-] ZINC000278416071 455835302 /nfs/dbraw/zinc/83/53/02/455835302.db2.gz IEADKOFDYDMSJA-NVXWUHKLSA-N 0 3 328.460 3.144 10 10 EGCEHN Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(C)c(C)c3[O-])C2)n(C)n1 ZINC000278544437 455840304 /nfs/dbraw/zinc/84/03/04/455840304.db2.gz VFATYWCUYDXHAI-SJORKVTESA-N 0 3 342.487 3.371 10 10 EGCEHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c([O-])c1 ZINC000189035485 456206588 /nfs/dbraw/zinc/20/65/88/456206588.db2.gz SNPRZNJUFILJCX-RDTXWAMCSA-N 0 3 342.414 3.291 10 10 EGCEHN C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc(F)ccc1[O-] ZINC000189044648 456209776 /nfs/dbraw/zinc/20/97/76/456209776.db2.gz OVDPUHCWAKIUGI-PXAZEXFGSA-N 0 3 346.377 3.122 10 10 EGCEHN CCOc1cccc(CN2CC[C@@H](OCc3c(C)noc3C)C2)c1O ZINC000370730504 457708849 /nfs/dbraw/zinc/70/88/49/457708849.db2.gz OOXQXEPISXOWDH-MRXNPFEDSA-N 0 3 346.427 3.187 10 10 EGCEHN c1ccc(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000367460597 457955983 /nfs/dbraw/zinc/95/59/83/457955983.db2.gz FFMXNQCXYKGNRU-UHFFFAOYSA-N 0 3 337.467 3.298 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)c1[O-] ZINC000369491310 458236031 /nfs/dbraw/zinc/23/60/31/458236031.db2.gz QXRFJZWLELPZGR-UHFFFAOYSA-N 0 3 346.862 3.245 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1[O-] ZINC000369491310 458236032 /nfs/dbraw/zinc/23/60/32/458236032.db2.gz QXRFJZWLELPZGR-UHFFFAOYSA-N 0 3 346.862 3.245 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(C)COc3ccccc3O2)c1 ZINC000527926913 459774549 /nfs/dbraw/zinc/77/45/49/459774549.db2.gz ADFSXPDARWQCSS-YJYMSZOUSA-N 0 3 329.396 3.282 10 10 EGCEHN [O-]c1cc2c(cc1C[NH+]1CCC(c3nnc4ccccn43)CC1)CCC2 ZINC000732478577 575271832 /nfs/dbraw/zinc/27/18/32/575271832.db2.gz WSYGDAMJYDFVBH-UHFFFAOYSA-N 0 3 348.450 3.303 10 10 EGCEHN Cn1ccnc1C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000742387053 576777614 /nfs/dbraw/zinc/77/76/14/576777614.db2.gz CWXYHBDWLLVUIF-LJQANCHMSA-N 0 3 333.435 3.429 10 10 EGCEHN COc1ccc([C@H]2OCC[C@@H]2[NH2+][C@@H](C)c2cc(F)ccc2[O-])cn1 ZINC000585090398 1298028481 /nfs/dbraw/zinc/02/84/81/1298028481.db2.gz JCQIKWPIXCORTD-GEWABHDNSA-N 0 3 332.375 3.116 10 10 EGCEHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@](O)(C(F)(F)F)C3)c2c1 ZINC000191420452 1295679543 /nfs/dbraw/zinc/67/95/43/1295679543.db2.gz OMPREJQRHYNHPY-MRXNPFEDSA-N 0 3 341.329 3.053 10 10 EGCEHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@](O)(C(F)(F)F)C3)c2c1 ZINC000191420452 1295679553 /nfs/dbraw/zinc/67/95/53/1295679553.db2.gz OMPREJQRHYNHPY-MRXNPFEDSA-N 0 3 341.329 3.053 10 10 EGCEHN COc1ccc(CNCc2ccc3c(c2)CCO3)cc1OC1CC1 ZINC000858120855 1328688661 /nfs/dbraw/zinc/68/86/61/1328688661.db2.gz OOCYADKMGJLSFT-UHFFFAOYSA-N 0 3 325.408 3.461 10 10 EGCEHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cc(O)cc(F)c1 ZINC000924751657 1323145753 /nfs/dbraw/zinc/14/57/53/1323145753.db2.gz TUWYXQGHTNJSOX-AWEZNQCLSA-N 0 3 330.403 3.219 10 10 EGCEHN C[C@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(Br)cc1[O-] ZINC000925779993 1325298457 /nfs/dbraw/zinc/29/84/57/1325298457.db2.gz DARFVROAOYSERX-UWVGGRQHSA-N 0 3 349.219 3.050 10 10 EGCEHN c1csc(CC2CN(Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000862538067 1329493825 /nfs/dbraw/zinc/49/38/25/1329493825.db2.gz MAKHHDRORROLCS-UHFFFAOYSA-N 0 3 328.481 3.259 10 10 EGCEHN CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000862547587 1329495542 /nfs/dbraw/zinc/49/55/42/1329495542.db2.gz KCFVXGRCXIGIFR-UWUNEBHHSA-N 0 3 327.424 3.486 10 10 EGCEHN C[C@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000866516751 1330120995 /nfs/dbraw/zinc/12/09/95/1330120995.db2.gz HCNXEQNJJRBHLM-NOLJZWGESA-N 0 3 349.427 3.187 10 10 EGCEHN C[C@@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccccc1O ZINC000868449145 1330281873 /nfs/dbraw/zinc/28/18/73/1330281873.db2.gz UGGLLCPNMPFACG-BJZITVGISA-N 0 3 339.439 3.198 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)C3CC(C)(C)C3)CC2)cc1C ZINC001323436723 1387369319 /nfs/dbraw/zinc/36/93/19/1387369319.db2.gz YYJMKJRCZWYFGK-UHFFFAOYSA-N 0 3 330.472 3.178 10 10 EGCEHN C[C@@H]([NH2+]Cc1ccc(Cl)cc1-n1cncn1)c1ccccc1[O-] ZINC001197003066 1368729215 /nfs/dbraw/zinc/72/92/15/1368729215.db2.gz FXFAFTNFURCZPD-GFCCVEGCSA-N 0 3 328.803 3.477 10 10 EGCEHN CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC001293349674 1382275915 /nfs/dbraw/zinc/27/59/15/1382275915.db2.gz IJXQOTDSIIWGIS-CQSZACIVSA-N 0 3 334.460 3.037 10 10 EGCEHN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC001293349674 1382275921 /nfs/dbraw/zinc/27/59/21/1382275921.db2.gz IJXQOTDSIIWGIS-CQSZACIVSA-N 0 3 334.460 3.037 10 10 EGCEHN CCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H](C)C(C)C ZINC001313420773 1384417081 /nfs/dbraw/zinc/41/70/81/1384417081.db2.gz YVHBHKVWNAUOJK-APWZRJJASA-N 0 3 348.535 3.431 10 10 EGCEHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000090410590 454302429 /nfs/dbraw/zinc/30/24/29/454302429.db2.gz DFSJFHHZRGFNKI-WMZOPIPTSA-N 0 3 344.503 3.131 10 10 EGCEHN CCN(CC)c1ccc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1F ZINC000092105071 454524995 /nfs/dbraw/zinc/52/49/95/454524995.db2.gz XTPJXMKWHSJHPO-SJLPKXTDSA-N 0 3 347.478 3.163 10 10 EGCEHN CCOc1ccc(O)c(CN2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000122805814 454570167 /nfs/dbraw/zinc/57/01/67/454570167.db2.gz NBKHXVDURUPZEV-QGZVFWFLSA-N 0 3 329.444 3.478 10 10 EGCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000122805814 454570173 /nfs/dbraw/zinc/57/01/73/454570173.db2.gz NBKHXVDURUPZEV-QGZVFWFLSA-N 0 3 329.444 3.478 10 10 EGCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000122805814 454570177 /nfs/dbraw/zinc/57/01/77/454570177.db2.gz NBKHXVDURUPZEV-QGZVFWFLSA-N 0 3 329.444 3.478 10 10 EGCEHN CN(C)c1ccc(CN2CCC(C(=O)N3CCCCC3)CC2)cc1F ZINC000162641645 454790240 /nfs/dbraw/zinc/79/02/40/454790240.db2.gz KWWUYEHVAQGHOK-UHFFFAOYSA-N 0 3 347.478 3.116 10 10 EGCEHN CCCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000179699535 455069303 /nfs/dbraw/zinc/06/93/03/455069303.db2.gz POKPJOJAERTJDM-UHFFFAOYSA-N 0 3 338.879 3.482 10 10 EGCEHN Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179932371 455101441 /nfs/dbraw/zinc/10/14/41/455101441.db2.gz GFMYCWZKUWARCS-UHFFFAOYSA-N 0 3 342.414 3.234 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1[O-] ZINC000249242214 455747105 /nfs/dbraw/zinc/74/71/05/455747105.db2.gz WSPKQSFBGBJWTA-BFHYXJOUSA-N 0 3 326.234 3.120 10 10 EGCEHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C12CCOCC2 ZINC000186455110 455772922 /nfs/dbraw/zinc/77/29/22/455772922.db2.gz IOOKXRYLKNWDIA-HZPDHXFCSA-N 0 3 339.863 3.418 10 10 EGCEHN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C)cc3[O-])C2)n(C)n1 ZINC000278376479 455834205 /nfs/dbraw/zinc/83/42/05/455834205.db2.gz DWLMGRWSSIAABT-HZPDHXFCSA-N 0 3 328.460 3.062 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1[O-] ZINC000289247243 456119182 /nfs/dbraw/zinc/11/91/82/456119182.db2.gz ATAKYXIHECXBRW-UHFFFAOYSA-N 0 3 336.785 3.470 10 10 EGCEHN C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1cc2c(cc1[O-])CCCC2 ZINC000282968483 456677111 /nfs/dbraw/zinc/67/71/11/456677111.db2.gz CZKIZTIYJIWURX-ACJLOTCBSA-N 0 3 328.456 3.123 10 10 EGCEHN CCOCc1cc(CN[C@H]2CCCc3nn(C)cc32)ccc1OC ZINC000283080685 456706639 /nfs/dbraw/zinc/70/66/39/456706639.db2.gz VPHNBERTVXZKQY-KRWDZBQOSA-N 0 3 329.444 3.132 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000373868202 457377733 /nfs/dbraw/zinc/37/77/33/457377733.db2.gz RNQHOXXILMEJBE-OAGGEKHMSA-N 0 3 346.471 3.233 10 10 EGCEHN Cc1cc(Br)cc(CN2CCC[C@@]23CCOC3)c1O ZINC000367040814 457924005 /nfs/dbraw/zinc/92/40/05/457924005.db2.gz NOLHOPRGBMJGAZ-HNNXBMFYSA-N 0 3 326.234 3.218 10 10 EGCEHN CCN(CC)c1ccc(CN2CCC[C@H](c3ccnc(N)n3)C2)cc1 ZINC000377696556 458511543 /nfs/dbraw/zinc/51/15/43/458511543.db2.gz NWPLHJVWSSEZDL-KRWDZBQOSA-N 0 3 339.487 3.115 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373536990 458523440 /nfs/dbraw/zinc/52/34/40/458523440.db2.gz YTKWTBVNXFGXBQ-LJQANCHMSA-N 0 3 342.826 3.450 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1[O-] ZINC000373536990 458523446 /nfs/dbraw/zinc/52/34/46/458523446.db2.gz YTKWTBVNXFGXBQ-LJQANCHMSA-N 0 3 342.826 3.450 10 10 EGCEHN C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1[O-] ZINC000530213606 458717902 /nfs/dbraw/zinc/71/79/02/458717902.db2.gz ATNIGUDISBYYFT-QMTHXVAHSA-N 0 3 325.250 3.090 10 10 EGCEHN C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)c2c1c(F)ccc2[O-] ZINC000528015729 459796728 /nfs/dbraw/zinc/79/67/28/459796728.db2.gz MNBUDVUDUJBOEJ-TZMCWYRMSA-N 0 3 334.435 3.318 10 10 EGCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCOC(C)(C)C2)c1[O-] ZINC000735298445 575632346 /nfs/dbraw/zinc/63/23/46/575632346.db2.gz RZZXSADFLOILSQ-UHFFFAOYSA-N 0 3 343.423 3.333 10 10 EGCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCCOC(C)(C)C2)c1[O-] ZINC000735298445 575632348 /nfs/dbraw/zinc/63/23/48/575632348.db2.gz RZZXSADFLOILSQ-UHFFFAOYSA-N 0 3 343.423 3.333 10 10 EGCEHN COc1cc(C)cc(CN2CCc3c(cccc3NC(C)=O)C2)c1O ZINC000178863441 1294757912 /nfs/dbraw/zinc/75/79/12/1294757912.db2.gz ZCAXGTQCMJSCFU-UHFFFAOYSA-N 0 3 340.423 3.226 10 10 EGCEHN c1cn2cc(CNCc3ccc(N4CCSCC4)cc3)sc2n1 ZINC000892613684 1305469898 /nfs/dbraw/zinc/46/98/98/1305469898.db2.gz XIJFRFLWERUZFA-UHFFFAOYSA-N 0 3 344.509 3.239 10 10 EGCEHN COC(=O)c1c(CNCCOC(C)(C)C)c2cc(F)ccc2n1C ZINC000894211198 1306280210 /nfs/dbraw/zinc/28/02/10/1306280210.db2.gz OGUUOECWLCKZSY-UHFFFAOYSA-N 0 3 336.407 3.009 10 10 EGCEHN COC(=O)c1c(CN2CCC[C@H](OC)CC2)c2cc(F)ccc2n1C ZINC000894441794 1308889693 /nfs/dbraw/zinc/88/96/93/1308889693.db2.gz RFJRATYHPNGBIG-AWEZNQCLSA-N 0 3 348.418 3.105 10 10 EGCEHN COc1cc(C)cc(CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1O ZINC000894983279 1309143920 /nfs/dbraw/zinc/14/39/20/1309143920.db2.gz AVQZAVRWECETCP-WMLDXEAASA-N 0 3 349.452 3.134 10 10 EGCEHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)c1[O-] ZINC000895809734 1309530394 /nfs/dbraw/zinc/53/03/94/1309530394.db2.gz RBPWAXALGYHBFJ-CQSZACIVSA-N 0 3 325.836 3.493 10 10 EGCEHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c1[O-] ZINC000895809733 1309530463 /nfs/dbraw/zinc/53/04/63/1309530463.db2.gz RBPWAXALGYHBFJ-AWEZNQCLSA-N 0 3 325.836 3.493 10 10 EGCEHN COc1cc(Cl)cc(C[NH2+]CC2(C3(O)CCC3)CCC2)c1[O-] ZINC000895867247 1309570665 /nfs/dbraw/zinc/57/06/65/1309570665.db2.gz BWIQOLUMCNSWOM-UHFFFAOYSA-N 0 3 325.836 3.229 10 10 EGCEHN Cc1ccc([C@@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)c([O-])c1 ZINC000858483626 1328775752 /nfs/dbraw/zinc/77/57/52/1328775752.db2.gz URIBUXWSEFHYPD-CQSZACIVSA-N 0 3 343.414 3.308 10 10 EGCEHN Oc1cc2c(cc1CN1CCN(CCc3cccs3)CC1)CCC2 ZINC000919949740 1322120879 /nfs/dbraw/zinc/12/08/79/1322120879.db2.gz KXNCTLZDTBEGQC-UHFFFAOYSA-N 0 3 342.508 3.303 10 10 EGCEHN CCC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000866414220 1330108752 /nfs/dbraw/zinc/10/87/52/1330108752.db2.gz ARUATSYAAGVSPU-JQWIXIFHSA-N 0 3 346.265 3.365 10 10 EGCEHN CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000866633228 1330136097 /nfs/dbraw/zinc/13/60/97/1330136097.db2.gz GVXBSXCPVBQTOS-CKYFFXLPSA-N 0 3 346.265 3.363 10 10 EGCEHN COc1cc([N+](=O)[O-])c(N2CCN(C3CCCC3)[C@@H](C)C2)cc1OC ZINC001307209473 1383957666 /nfs/dbraw/zinc/95/76/66/1383957666.db2.gz BQBKDBKKQRRFFS-ZDUSSCGKSA-N 0 3 349.431 3.065 10 10 EGCEHN CC(=O)N1CCN(Cc2ccc(N(C)C)cc2C)CC12CCCCC2 ZINC001179950265 1386643244 /nfs/dbraw/zinc/64/32/44/1386643244.db2.gz CCWVAICWNBHNLC-UHFFFAOYSA-N 0 3 343.515 3.428 10 10 EGCEHN Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])N2CCOCC2)s1 ZINC000183597557 455310282 /nfs/dbraw/zinc/31/02/82/455310282.db2.gz VJAJVWVLKQNUSK-DOTOQJQBSA-N 0 3 346.496 3.486 10 10 EGCEHN CN(Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)COC(C)(C)C ZINC000053420222 453877982 /nfs/dbraw/zinc/87/79/82/453877982.db2.gz HCLDMCLKXIDQQN-LJQANCHMSA-N 0 3 334.504 3.285 10 10 EGCEHN Cc1cc(Cl)cc(C[NH+]2CCC(Nc3cccnn3)CC2)c1[O-] ZINC000180079871 455128472 /nfs/dbraw/zinc/12/84/72/455128472.db2.gz LOAUUQSROMOEAB-UHFFFAOYSA-N 0 3 332.835 3.221 10 10 EGCEHN Cc1csc([C@@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000156540147 455130380 /nfs/dbraw/zinc/13/03/80/455130380.db2.gz CZIIORCPFCOUHE-GFCCVEGCSA-N 0 3 332.425 3.265 10 10 EGCEHN Cc1csc([C@@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)n1 ZINC000156540147 455130385 /nfs/dbraw/zinc/13/03/85/455130385.db2.gz CZIIORCPFCOUHE-GFCCVEGCSA-N 0 3 332.425 3.265 10 10 EGCEHN Cc1cccc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1[O-] ZINC000190492150 455331297 /nfs/dbraw/zinc/33/12/97/455331297.db2.gz WNNJHSULCVJEOA-SFHVURJKSA-N 0 3 325.456 3.050 10 10 EGCEHN Cc1cccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1[O-] ZINC000190492150 455331300 /nfs/dbraw/zinc/33/13/00/455331300.db2.gz WNNJHSULCVJEOA-SFHVURJKSA-N 0 3 325.456 3.050 10 10 EGCEHN CCN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000190829758 455388749 /nfs/dbraw/zinc/38/87/49/455388749.db2.gz CUBPTKJSHRIBLL-UHFFFAOYSA-N 0 3 348.487 3.020 10 10 EGCEHN COc1cc(Cl)cc(C[NH2+]CC2(CO)CC3(CCC3)C2)c1[O-] ZINC000279487157 455865968 /nfs/dbraw/zinc/86/59/68/455865968.db2.gz XRCJDRVGPVETMX-UHFFFAOYSA-N 0 3 325.836 3.087 10 10 EGCEHN Oc1ccc(-c2ccccc2)cc1CN1CCO[C@@]2(CCOC2)C1 ZINC000274406279 456257885 /nfs/dbraw/zinc/25/78/85/456257885.db2.gz HZOPVDGTPBVKEY-FQEVSTJZSA-N 0 3 325.408 3.051 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c([O-])c1C ZINC000283370708 456767496 /nfs/dbraw/zinc/76/74/96/456767496.db2.gz NXWZPZDNTWYHGA-BXWFABGCSA-N 0 3 333.472 3.227 10 10 EGCEHN CC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(C)cc1[O-] ZINC000283515702 456795846 /nfs/dbraw/zinc/79/58/46/456795846.db2.gz ZXPRANCVDSPETN-HHXXYDBFSA-N 0 3 333.472 3.309 10 10 EGCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000363949235 457465949 /nfs/dbraw/zinc/46/59/49/457465949.db2.gz HAYQAIKLIZQBOY-HXUWFJFHSA-N 0 3 325.408 3.422 10 10 EGCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000363949235 457465956 /nfs/dbraw/zinc/46/59/56/457465956.db2.gz HAYQAIKLIZQBOY-HXUWFJFHSA-N 0 3 325.408 3.422 10 10 EGCEHN COc1ccc(CN2CC[C@H]2C[NH2+]Cc2cccc(C)c2[O-])cc1 ZINC000529643042 459831847 /nfs/dbraw/zinc/83/18/47/459831847.db2.gz HXCBPOKZDKJPES-SFHVURJKSA-N 0 3 326.440 3.073 10 10 EGCEHN Oc1cc2c(cc1CN1CCC[C@H]1c1ccc3c(c1)OCO3)OCO2 ZINC000728285713 574735779 /nfs/dbraw/zinc/73/57/79/574735779.db2.gz LWCUAMUZRZQEQI-AWEZNQCLSA-N 0 3 341.363 3.187 10 10 EGCEHN COC(=O)c1cc(CNCc2ccc(N(C)C)cc2)[nH]c1C(C)C ZINC000894160922 1306253447 /nfs/dbraw/zinc/25/34/47/1306253447.db2.gz PIAXCTWSGHIZID-UHFFFAOYSA-N 0 3 329.444 3.281 10 10 EGCEHN CC[C@@H](C)N[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccco1 ZINC000922423669 1322526103 /nfs/dbraw/zinc/52/61/03/1322526103.db2.gz HNNPUTNHWDVFFN-IUODEOHRSA-N 0 3 349.406 3.053 10 10 EGCEHN CC[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Cl)c1[O-] ZINC000925794889 1325304555 /nfs/dbraw/zinc/30/45/55/1325304555.db2.gz VWZFGDOENOYOFJ-CZUORRHYSA-N 0 3 338.879 3.245 10 10 EGCEHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3cn4c(n3)CCCC4)C2)cc1 ZINC000926680600 1327664911 /nfs/dbraw/zinc/66/49/11/1327664911.db2.gz PTXYQZDFGIITPF-JKSUJKDBSA-N 0 3 340.471 3.158 10 10 EGCEHN O=C(NCc1c([O-])cccc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000928710396 1328405647 /nfs/dbraw/zinc/40/56/47/1328405647.db2.gz CWDFGZBSOHQJBN-MRXNPFEDSA-N 0 3 342.414 3.060 10 10 EGCEHN O=C(NCc1c([O-])cccc1F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000928710396 1328405649 /nfs/dbraw/zinc/40/56/49/1328405649.db2.gz CWDFGZBSOHQJBN-MRXNPFEDSA-N 0 3 342.414 3.060 10 10 EGCEHN Cc1ccc([O-])c(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000862478648 1329489707 /nfs/dbraw/zinc/48/97/07/1329489707.db2.gz KYGUCXLKWAWTPA-LJQANCHMSA-N 0 3 334.460 3.437 10 10 EGCEHN FC(F)c1ccc(CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000865428397 1329696115 /nfs/dbraw/zinc/69/61/15/1329696115.db2.gz TUXJDDXOSBHLBG-UHFFFAOYSA-N 0 3 333.382 3.146 10 10 EGCEHN CC1(c2ccc(C[NH2+][C@H]3CCc4cccc([O-])c43)cc2)OCCO1 ZINC000866422362 1330109783 /nfs/dbraw/zinc/10/97/83/1330109783.db2.gz CDLNLBWTWYCGBS-KRWDZBQOSA-N 0 3 325.408 3.389 10 10 EGCEHN Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])cccc1[N+](=O)[O-] ZINC001197003454 1368729543 /nfs/dbraw/zinc/72/95/43/1368729543.db2.gz HMOPVLOPWKGDPH-STQMWFEESA-N 0 3 343.383 3.287 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)C2CCC2)N(C)C)cc1 ZINC001134882006 1376765702 /nfs/dbraw/zinc/76/57/02/1376765702.db2.gz JWFYGSZFHZQDNX-GOSISDBHSA-N 0 3 331.504 3.298 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)c2ccc(C)s2)cc1C ZINC001732818313 1428993820 /nfs/dbraw/zinc/99/38/20/1428993820.db2.gz TVXJGCSDGIFODV-SNAWJCMRSA-N 0 3 344.480 3.449 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)c3oc(C)cc3C)CC2)cc1C ZINC001733240998 1429383393 /nfs/dbraw/zinc/38/33/93/1429383393.db2.gz JKESUKSWEQAPQS-UHFFFAOYSA-N 0 3 342.439 3.266 10 10 EGCEHN COc1cc(Cl)cc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c1[O-] ZINC000529637068 313375626 /nfs/dbraw/zinc/37/56/26/313375626.db2.gz NGUKPDVTCWRVOY-SFHVURJKSA-N 0 3 349.814 3.374 10 10 EGCEHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190473130 455327290 /nfs/dbraw/zinc/32/72/90/455327290.db2.gz FCXKUHLIHZXDMF-GOSISDBHSA-N 0 3 325.456 3.050 10 10 EGCEHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190473130 455327292 /nfs/dbraw/zinc/32/72/92/455327292.db2.gz FCXKUHLIHZXDMF-GOSISDBHSA-N 0 3 325.456 3.050 10 10 EGCEHN COc1cc(OC)cc([C@H]2CC[N@H+](Cc3cccc(OC)c3[O-])C2)c1 ZINC000093838053 454737250 /nfs/dbraw/zinc/73/72/50/454737250.db2.gz CICKLJTZYYSNEX-AWEZNQCLSA-N 0 3 343.423 3.408 10 10 EGCEHN COc1cc(OC)cc([C@H]2CC[N@@H+](Cc3cccc(OC)c3[O-])C2)c1 ZINC000093838053 454737252 /nfs/dbraw/zinc/73/72/52/454737252.db2.gz CICKLJTZYYSNEX-AWEZNQCLSA-N 0 3 343.423 3.408 10 10 EGCEHN Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000190468584 455326127 /nfs/dbraw/zinc/32/61/27/455326127.db2.gz OPIGFKMHBICOBM-HNNXBMFYSA-N 0 3 331.485 3.111 10 10 EGCEHN Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000190468584 455326129 /nfs/dbraw/zinc/32/61/29/455326129.db2.gz OPIGFKMHBICOBM-HNNXBMFYSA-N 0 3 331.485 3.111 10 10 EGCEHN CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000174133470 455362737 /nfs/dbraw/zinc/36/27/37/455362737.db2.gz QPDOPYWBHHYWQB-VQIMIIECSA-N 0 3 346.519 3.157 10 10 EGCEHN C[C@H](N[C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N2CCCCC2)cc1 ZINC000284278457 455661937 /nfs/dbraw/zinc/66/19/37/455661937.db2.gz HJWLNPVGKWDDQX-HQRMLTQVSA-N 0 3 348.531 3.486 10 10 EGCEHN CC[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@@H](O)C(F)F ZINC000295062773 455838047 /nfs/dbraw/zinc/83/80/47/455838047.db2.gz OMLPXSSACZPHJX-QWHCGFSZSA-N 0 3 340.336 3.266 10 10 EGCEHN CC[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(C)cc1[O-] ZINC000279966101 455879532 /nfs/dbraw/zinc/87/95/32/455879532.db2.gz CPNJTBCKZISDKL-RTBURBONSA-N 0 3 340.467 3.441 10 10 EGCEHN N=COc1ccc([C@@H]2C(=N)C(=N)N=C(/N=N/c3ccccn3)C2=N)cc1 ZINC000299754833 456778794 /nfs/dbraw/zinc/77/87/94/456778794.db2.gz XBBKSCBSRRHRHW-UUBTZTFBSA-N 0 3 346.354 3.364 10 10 EGCEHN O=C([C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2)N1CCCCC1 ZINC000378535310 457406255 /nfs/dbraw/zinc/40/62/55/457406255.db2.gz QNZHUBWOZDGUSZ-QGZVFWFLSA-N 0 3 328.456 3.007 10 10 EGCEHN COc1cc([O-])c(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1OC ZINC000362040592 458020742 /nfs/dbraw/zinc/02/07/42/458020742.db2.gz PZVPZDYRUPZGSQ-FOIQADDNSA-N 0 3 343.423 3.277 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c([O-])c1C ZINC000368316223 458026083 /nfs/dbraw/zinc/02/60/83/458026083.db2.gz OHGYDCZZMUNPLW-JKSUJKDBSA-N 0 3 328.460 3.062 10 10 EGCEHN [O-]c1ccccc1C[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373485485 458506747 /nfs/dbraw/zinc/50/67/47/458506747.db2.gz OAEOLZIYYDHYED-UHFFFAOYSA-N 0 3 328.378 3.287 10 10 EGCEHN C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1[O-] ZINC000530215196 458719751 /nfs/dbraw/zinc/71/97/51/458719751.db2.gz FAXLNEYKWWSCPG-YGRLFVJLSA-N 0 3 325.250 3.090 10 10 EGCEHN CCOc1ccc([O-])c(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c1 ZINC000527737321 459719700 /nfs/dbraw/zinc/71/97/00/459719700.db2.gz UKKJGACOPXFJIH-IBGZPJMESA-N 0 3 329.396 3.111 10 10 EGCEHN COc1cccc([C@@H](C)[NH2+]C[C@@]2(C)COc3ccccc3O2)c1[O-] ZINC000527932935 459775435 /nfs/dbraw/zinc/77/54/35/459775435.db2.gz RLRWUNKBHIBKDL-YJYMSZOUSA-N 0 3 329.396 3.282 10 10 EGCEHN COc1ccc(O)c([C@H](C)NC[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000527939328 459777187 /nfs/dbraw/zinc/77/71/87/459777187.db2.gz NVQYJTBKXIUFHA-IINYFYTJSA-N 0 3 329.322 3.052 10 10 EGCEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000730825830 575025690 /nfs/dbraw/zinc/02/56/90/575025690.db2.gz HOEBYKDPHGGPPP-CALCHBBNSA-N 0 3 346.519 3.157 10 10 EGCEHN CC(C)n1cc([C@H](C)NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000732820963 575289649 /nfs/dbraw/zinc/28/96/49/575289649.db2.gz QVBRJEZRVDTQDY-INIZCTEOSA-N 0 3 328.460 3.151 10 10 EGCEHN Cc1cc(F)ccc1N1CCC[C@@H](N(C)Cc2ccccc2O)C1=O ZINC000735309090 575639045 /nfs/dbraw/zinc/63/90/45/575639045.db2.gz FPLVBZJZPWYXEE-GOSISDBHSA-N 0 3 342.414 3.467 10 10 EGCEHN COc1cc(C)cc(CN2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC000164114003 1294344158 /nfs/dbraw/zinc/34/41/58/1294344158.db2.gz MGBKYSMMDXUKEE-GOSISDBHSA-N 0 3 326.440 3.198 10 10 EGCEHN Cc1cc([C@H](N)CC(=O)N[C@H](C)c2ccccc2O)cc(Cl)n1 ZINC000870988220 1296165553 /nfs/dbraw/zinc/16/55/53/1296165553.db2.gz JFEXPLCSWUUMRR-BXUZGUMPSA-N 0 3 333.819 3.016 10 10 EGCEHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896881276 1310066934 /nfs/dbraw/zinc/06/69/34/1310066934.db2.gz HBNIMJIFNKRZPD-OLZOCXBDSA-N 0 3 346.452 3.011 10 10 EGCEHN [O-]c1ccccc1C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000858245908 1328721089 /nfs/dbraw/zinc/72/10/89/1328721089.db2.gz YHMSHPYXZJOAEK-QGZVFWFLSA-N 0 3 332.831 3.041 10 10 EGCEHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccnn1C1CCC1 ZINC000924753634 1323145621 /nfs/dbraw/zinc/14/56/21/1323145621.db2.gz ZHZSQXIAEHPCAX-MRXNPFEDSA-N 0 3 340.471 3.296 10 10 EGCEHN O=C1C[C@@H](CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CN1 ZINC000926977097 1327805388 /nfs/dbraw/zinc/80/53/88/1327805388.db2.gz CKWPTHPUEPFZGK-IEBWSBKVSA-N 0 3 338.451 3.182 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c([O-])c1 ZINC000866516257 1330121003 /nfs/dbraw/zinc/12/10/03/1330121003.db2.gz BSMGDVVLHUQOHU-ZOBUZTSGSA-N 0 3 345.464 3.356 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@H]3CCC3(C)C)CC2)cc1C ZINC001323518148 1387380644 /nfs/dbraw/zinc/38/06/44/1387380644.db2.gz GYOUKCSUGWBBIU-MRXNPFEDSA-N 0 3 330.472 3.178 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCC3(CC3)C2)N(C)C)cc1 ZINC001134686156 1376658637 /nfs/dbraw/zinc/65/86/37/1376658637.db2.gz BMQLKYPNVZZIHB-MJGOQNOKSA-N 0 3 343.515 3.442 10 10 EGCEHN Cc1cc(C)c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)s1 ZINC001134881748 1376765193 /nfs/dbraw/zinc/76/51/93/1376765193.db2.gz GIXHROXZXHISSZ-KRWDZBQOSA-N 0 3 345.512 3.464 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccsc2)N(C)C)cc1 ZINC001134883003 1376766886 /nfs/dbraw/zinc/76/68/86/1376766886.db2.gz WPGRYEGMPKBRSG-YPHWWSSASA-N 0 3 343.496 3.246 10 10 EGCEHN CCCN(C)CC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001302263301 1383746149 /nfs/dbraw/zinc/74/61/49/1383746149.db2.gz VDTWINPMQXSQSE-UHFFFAOYSA-N 0 3 327.472 3.361 10 10 EGCEHN CCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H](C)C(C)C ZINC001313420775 1384417321 /nfs/dbraw/zinc/41/73/21/1384417321.db2.gz YVHBHKVWNAUOJK-QFBILLFUSA-N 0 3 348.535 3.431 10 10 EGCEHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)Nc3nccs3)CC2)cc1C ZINC000057088029 454102321 /nfs/dbraw/zinc/10/23/21/454102321.db2.gz AMXSQZVXBMMBPE-UHFFFAOYSA-N 0 3 345.468 3.316 10 10 EGCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](n3ccnc3CC)C2)c1 ZINC000122938389 454584248 /nfs/dbraw/zinc/58/42/48/454584248.db2.gz WGRVHWFNGLJEKX-MRXNPFEDSA-N 0 3 329.444 3.387 10 10 EGCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](n3ccnc3CC)C2)c1 ZINC000122938389 454584253 /nfs/dbraw/zinc/58/42/53/454584253.db2.gz WGRVHWFNGLJEKX-MRXNPFEDSA-N 0 3 329.444 3.387 10 10 EGCEHN Cc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c1[O-] ZINC000179687164 455066885 /nfs/dbraw/zinc/06/68/85/455066885.db2.gz UBBQBHPAZDKMLO-UHFFFAOYSA-N 0 3 338.451 3.403 10 10 EGCEHN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000179931983 455101125 /nfs/dbraw/zinc/10/11/25/455101125.db2.gz UIJMUWZHUNRZFE-CQSZACIVSA-N 0 3 338.879 3.482 10 10 EGCEHN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000179931983 455101130 /nfs/dbraw/zinc/10/11/30/455101130.db2.gz UIJMUWZHUNRZFE-CQSZACIVSA-N 0 3 338.879 3.482 10 10 EGCEHN Cc1cc(Cl)cc(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1[O-] ZINC000180080357 455128964 /nfs/dbraw/zinc/12/89/64/455128964.db2.gz NEKXHRHHBVURON-UHFFFAOYSA-N 0 3 346.862 3.245 10 10 EGCEHN Cc1nc(CN2CCC[N@H+](Cc3cc(C)c(C)cc3[O-])CC2)cs1 ZINC000157239179 455175735 /nfs/dbraw/zinc/17/57/35/455175735.db2.gz VGGXEKGQTAEOOR-UHFFFAOYSA-N 0 3 345.512 3.482 10 10 EGCEHN Cc1nc(CN2CCC[N@@H+](Cc3cc(C)c(C)cc3[O-])CC2)cs1 ZINC000157239179 455175736 /nfs/dbraw/zinc/17/57/36/455175736.db2.gz VGGXEKGQTAEOOR-UHFFFAOYSA-N 0 3 345.512 3.482 10 10 EGCEHN Cc1nc(CN2CCCN(Cc3cc(C)c(C)cc3O)CC2)cs1 ZINC000157239179 455175737 /nfs/dbraw/zinc/17/57/37/455175737.db2.gz VGGXEKGQTAEOOR-UHFFFAOYSA-N 0 3 345.512 3.482 10 10 EGCEHN Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000190458124 455321820 /nfs/dbraw/zinc/32/18/20/455321820.db2.gz FDWQEKAVVVPNOY-MRXNPFEDSA-N 0 3 345.512 3.419 10 10 EGCEHN Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000190458124 455321824 /nfs/dbraw/zinc/32/18/24/455321824.db2.gz FDWQEKAVVVPNOY-MRXNPFEDSA-N 0 3 345.512 3.419 10 10 EGCEHN CC(=O)c1cc(F)cc(CN2CC[C@H](CNc3ccccn3)C2)c1[O-] ZINC000175620352 455472514 /nfs/dbraw/zinc/47/25/14/455472514.db2.gz HILPMSCWSUCITP-CQSZACIVSA-N 0 3 343.402 3.063 10 10 EGCEHN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1[O-] ZINC000175620352 455472518 /nfs/dbraw/zinc/47/25/18/455472518.db2.gz HILPMSCWSUCITP-CQSZACIVSA-N 0 3 343.402 3.063 10 10 EGCEHN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1[O-] ZINC000175620352 455472523 /nfs/dbraw/zinc/47/25/23/455472523.db2.gz HILPMSCWSUCITP-CQSZACIVSA-N 0 3 343.402 3.063 10 10 EGCEHN CC(=O)c1cc(F)cc(CN2CC[C@H](CNc3ccccn3)C2)c1O ZINC000175620352 455472525 /nfs/dbraw/zinc/47/25/25/455472525.db2.gz HILPMSCWSUCITP-CQSZACIVSA-N 0 3 343.402 3.063 10 10 EGCEHN CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c([O-])ccc4ccccc43)[C@H]2C1 ZINC000246450221 455492369 /nfs/dbraw/zinc/49/23/69/455492369.db2.gz IXAXDSVPEJAQSJ-MOXGXCLJSA-N 0 3 327.424 3.314 10 10 EGCEHN CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3c([O-])ccc4ccccc43)[C@H]2C1 ZINC000246450221 455492373 /nfs/dbraw/zinc/49/23/73/455492373.db2.gz IXAXDSVPEJAQSJ-MOXGXCLJSA-N 0 3 327.424 3.314 10 10 EGCEHN CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000185059934 455494426 /nfs/dbraw/zinc/49/44/26/455494426.db2.gz AHOBGVSWSFEXSL-NWDGAFQWSA-N 0 3 327.266 3.147 10 10 EGCEHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000192356070 455595512 /nfs/dbraw/zinc/59/55/12/455595512.db2.gz IIZXRXCYOSNIMG-HXUWFJFHSA-N 0 3 340.467 3.081 10 10 EGCEHN COc1ccc(O)c([C@H](C)NCc2cn(C)nc2C(F)(F)F)c1 ZINC000186151696 455703765 /nfs/dbraw/zinc/70/37/65/455703765.db2.gz XIUHAPBDXXNFDY-VIFPVBQESA-N 0 3 329.322 3.004 10 10 EGCEHN CN1C[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CCC1=O ZINC000293785139 455797587 /nfs/dbraw/zinc/79/75/87/455797587.db2.gz QJXDRPSFAVZPBG-MJGOQNOKSA-N 0 3 338.451 3.277 10 10 EGCEHN CCOCc1cc(CNC2(CC(=O)OC)CCCC2)ccc1OC ZINC000279728414 455871455 /nfs/dbraw/zinc/87/14/55/455871455.db2.gz VPNHFZSNHLNLJY-UHFFFAOYSA-N 0 3 335.444 3.197 10 10 EGCEHN CC[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(C)cc1[O-] ZINC000280093931 455889951 /nfs/dbraw/zinc/88/99/51/455889951.db2.gz MQWJQTBYENCXSZ-RDJZCZTQSA-N 0 3 326.444 3.200 10 10 EGCEHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000375033633 457764134 /nfs/dbraw/zinc/76/41/34/457764134.db2.gz AQHCMZNAKUQNLC-LJQANCHMSA-N 0 3 331.387 3.024 10 10 EGCEHN CCOc1ccc([O-])c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000375033633 457764141 /nfs/dbraw/zinc/76/41/41/457764141.db2.gz AQHCMZNAKUQNLC-LJQANCHMSA-N 0 3 331.387 3.024 10 10 EGCEHN Cc1ccc(C2CC[NH+](Cc3cc4c(cc3[O-])OCO4)CC2)cn1 ZINC000368624094 458050479 /nfs/dbraw/zinc/05/04/79/458050479.db2.gz TUJVNGYYPMAILU-UHFFFAOYSA-N 0 3 326.396 3.204 10 10 EGCEHN COc1cccc(C[NH+]2CCc3cc(OC)c(OC)cc3CC2)c1[O-] ZINC000362388701 458144661 /nfs/dbraw/zinc/14/46/61/458144661.db2.gz IAEVUJZPEZAQIM-UHFFFAOYSA-N 0 3 343.423 3.019 10 10 EGCEHN COc1cccc([C@H](C)[NH2+]C[C@@]2(C)COc3ccccc3O2)c1[O-] ZINC000527932923 459775946 /nfs/dbraw/zinc/77/59/46/459775946.db2.gz RLRWUNKBHIBKDL-DJJJIMSYSA-N 0 3 329.396 3.282 10 10 EGCEHN CCC1(CC)CN(C(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000662506908 461272926 /nfs/dbraw/zinc/27/29/26/461272926.db2.gz OECACHOVEMHUBN-CQSZACIVSA-N 0 3 338.455 3.205 10 10 EGCEHN CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C)cc1[O-] ZINC000365581613 547777638 /nfs/dbraw/zinc/77/76/38/547777638.db2.gz PYHHGUVHNURVTK-MAUKXSAKSA-N 0 3 328.460 3.144 10 10 EGCEHN CCCN1CCC[C@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731345286 575067222 /nfs/dbraw/zinc/06/72/22/575067222.db2.gz KZCKQKFMGNMGNZ-SFHVURJKSA-N 0 3 335.467 3.163 10 10 EGCEHN COc1ccc(OC)c(CN(C)c2ccc(OCCN(C)C)cc2)c1 ZINC000732410820 575268157 /nfs/dbraw/zinc/26/81/57/575268157.db2.gz JARRXHTUZNOZIF-UHFFFAOYSA-N 0 3 344.455 3.281 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CCCCO2)c1[O-] ZINC000124568966 1293479069 /nfs/dbraw/zinc/47/90/69/1293479069.db2.gz CSUMMXGOQGOOGN-AWEZNQCLSA-N 0 3 328.250 3.464 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCCCO2)c1[O-] ZINC000124568966 1293479066 /nfs/dbraw/zinc/47/90/66/1293479066.db2.gz CSUMMXGOQGOOGN-AWEZNQCLSA-N 0 3 328.250 3.464 10 10 EGCEHN COC(=O)c1cnc(CC2CC[NH+](Cc3ccccc3[O-])CC2)s1 ZINC000895563427 1309404274 /nfs/dbraw/zinc/40/42/74/1309404274.db2.gz FGYLBAXZHUPNEF-UHFFFAOYSA-N 0 3 346.452 3.090 10 10 EGCEHN CCc1cnc(CCNCc2cc(F)c(N(C)C)cc2F)s1 ZINC000858147565 1328696111 /nfs/dbraw/zinc/69/61/11/1328696111.db2.gz UAZGQTXNAFNZEG-UHFFFAOYSA-N 0 3 325.428 3.382 10 10 EGCEHN Oc1cc2c(cc1CNCc1csc(C(F)(F)F)c1)OCO2 ZINC000858304730 1328733732 /nfs/dbraw/zinc/73/37/32/1328733732.db2.gz IDLIDCYICCPUDC-UHFFFAOYSA-N 0 3 331.315 3.491 10 10 EGCEHN Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)ccc1N1CCCCC1 ZINC000859886805 1329106380 /nfs/dbraw/zinc/10/63/80/1329106380.db2.gz RZAYYUPXHQSDKK-YDIMBITNSA-N 0 3 346.540 3.471 10 10 EGCEHN CC[C@@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)c1cc(Cl)ccc1[O-] ZINC000925790986 1325301631 /nfs/dbraw/zinc/30/16/31/1325301631.db2.gz JWXZBXCYTINSCV-GDBMZVCRSA-N 0 3 338.879 3.245 10 10 EGCEHN COc1ccc(N2CC[C@@H](CN[C@H]3CCCc4oc(C)nc43)C2)cc1 ZINC000926610505 1327634566 /nfs/dbraw/zinc/63/45/66/1327634566.db2.gz DTVVTXGCDUYOHL-YJBOKZPZSA-N 0 3 341.455 3.485 10 10 EGCEHN Cc1cc(Cl)cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1[O-] ZINC000927037905 1327826686 /nfs/dbraw/zinc/82/66/86/1327826686.db2.gz GQMKXYXCRNJZSC-HLVVYCRESA-N 0 3 343.876 3.113 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@]3(C)CC=CCC3)CC2)cc1C ZINC001323441160 1387370526 /nfs/dbraw/zinc/37/05/26/1387370526.db2.gz FTAZGELTZXKKFC-HXUWFJFHSA-N 0 3 342.483 3.488 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)C[C@@H]3CC[C@H]4C[C@H]43)CC2)cc1C ZINC001323480937 1387374705 /nfs/dbraw/zinc/37/47/05/1387374705.db2.gz XLKGIBSQRLRPBP-OKZBNKHCSA-N 0 3 342.483 3.178 10 10 EGCEHN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccc(N2CCOCC2)cc1 ZINC001324759253 1387761840 /nfs/dbraw/zinc/76/18/40/1387761840.db2.gz OVXGAGDNQMLJPK-UHFFFAOYSA-N 0 3 342.487 3.176 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccsc2)N(C)C)cc1 ZINC001134883001 1376765817 /nfs/dbraw/zinc/76/58/17/1376765817.db2.gz WPGRYEGMPKBRSG-DNXKIMQPSA-N 0 3 343.496 3.246 10 10 EGCEHN Cc1cc([O-])c(CN2CCC([NH2+]C3CCOCC3)CC2)c(Cl)c1 ZINC001350338723 1391450206 /nfs/dbraw/zinc/45/02/06/1391450206.db2.gz VICQXZDYRYYKRV-UHFFFAOYSA-N 0 3 338.879 3.087 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)Cc3cccs3)CC2)cc1C ZINC001699643136 1413023910 /nfs/dbraw/zinc/02/39/10/1413023910.db2.gz ARLJYTKVLONEMO-UHFFFAOYSA-N 0 3 344.480 3.046 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)/C=C\c2ccco2)cc1C ZINC001716262368 1420587157 /nfs/dbraw/zinc/58/71/57/1420587157.db2.gz GNVDEUUIPSUFTN-USGIZOSYSA-N 0 3 340.423 3.072 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)/C=C(/C)C2CC2)cc1C ZINC001716271643 1420590021 /nfs/dbraw/zinc/59/00/21/1420590021.db2.gz CHTSUUIQQZGMHI-JKCNJQJSSA-N 0 3 328.456 3.122 10 10 EGCEHN [O-]c1ccc(Br)cc1C[NH2+]C1CC(N2CCCCC2)C1 ZINC000366276211 457804875 /nfs/dbraw/zinc/80/48/75/457804875.db2.gz YBXSOSPCOHAZHL-UHFFFAOYSA-N 0 3 339.277 3.261 10 10 EGCEHN C[C@@H](Nc1ccc(OC2CCN(C)CC2)nc1)c1ccccc1O ZINC000183669185 455318624 /nfs/dbraw/zinc/31/86/24/455318624.db2.gz XZDRLONGTADGJN-CQSZACIVSA-N 0 3 327.428 3.433 10 10 EGCEHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)cc1C ZINC000058162446 454167243 /nfs/dbraw/zinc/16/72/43/454167243.db2.gz SATRMQHXDACXOO-UHFFFAOYSA-N 0 3 339.439 3.255 10 10 EGCEHN CC[C@H]([NH2+]Cc1ccccc1[O-])c1ccccc1OCC(=O)N(C)C ZINC000071792542 454217751 /nfs/dbraw/zinc/21/77/51/454217751.db2.gz ITIOFDVDPLAISX-KRWDZBQOSA-N 0 3 342.439 3.100 10 10 EGCEHN Cc1nc(CN[C@@H](C)c2ccc(N3CCN(C)CC3)cc2)cs1 ZINC000071825377 454225761 /nfs/dbraw/zinc/22/57/61/454225761.db2.gz MPRAQSUUAASIKQ-AWEZNQCLSA-N 0 3 330.501 3.054 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1[O-] ZINC000245867636 455388709 /nfs/dbraw/zinc/38/87/09/455388709.db2.gz QQROPMZVNSGDAB-SUMWQHHRSA-N 0 3 349.862 3.033 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1[O-] ZINC000245867636 455388712 /nfs/dbraw/zinc/38/87/12/455388712.db2.gz QQROPMZVNSGDAB-SUMWQHHRSA-N 0 3 349.862 3.033 10 10 EGCEHN COc1cc(Cl)cc(C[NH+]2CCC(Cn3cccn3)CC2)c1[O-] ZINC000184690771 455429556 /nfs/dbraw/zinc/42/95/56/455429556.db2.gz OKHJWXGCPMEBLE-UHFFFAOYSA-N 0 3 335.835 3.163 10 10 EGCEHN CCN1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2[O-])[C@H](C)C1 ZINC000184698217 455430624 /nfs/dbraw/zinc/43/06/24/455430624.db2.gz LWKOBDIIGBTLPZ-IUODEOHRSA-N 0 3 326.868 3.216 10 10 EGCEHN CCN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2[O-])[C@H](C)C1 ZINC000184698217 455430628 /nfs/dbraw/zinc/43/06/28/455430628.db2.gz LWKOBDIIGBTLPZ-IUODEOHRSA-N 0 3 326.868 3.216 10 10 EGCEHN Cc1cc(C)c([C@@H](C)NCc2cccc(N3CCOCC3)n2)c(O)c1 ZINC000285213741 455804867 /nfs/dbraw/zinc/80/48/67/455804867.db2.gz OOYOYHFJQCDXJT-MRXNPFEDSA-N 0 3 341.455 3.091 10 10 EGCEHN Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C)cc3[O-])C2)n(C)n1 ZINC000278376475 455834344 /nfs/dbraw/zinc/83/43/44/455834344.db2.gz DWLMGRWSSIAABT-HOTGVXAUSA-N 0 3 328.460 3.062 10 10 EGCEHN CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(C)cc1[O-] ZINC000280093923 455890127 /nfs/dbraw/zinc/89/01/27/455890127.db2.gz MQWJQTBYENCXSZ-DOTOQJQBSA-N 0 3 326.444 3.200 10 10 EGCEHN Cc1ccc([O-])c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000277252085 456745672 /nfs/dbraw/zinc/74/56/72/456745672.db2.gz AGPYVFLRHKEWMD-HOCLYGCPSA-N 0 3 334.460 3.436 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000364769738 457690668 /nfs/dbraw/zinc/69/06/68/457690668.db2.gz LZIJQEVPNAXXIV-ZFWWWQNUSA-N 0 3 329.444 3.386 10 10 EGCEHN C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(Br)ccc1[O-] ZINC000368102875 458009671 /nfs/dbraw/zinc/00/96/71/458009671.db2.gz QGTNJRGRJSWWQA-MWLCHTKSSA-N 0 3 336.233 3.086 10 10 EGCEHN C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(Br)ccc1[O-] ZINC000368102875 458009674 /nfs/dbraw/zinc/00/96/74/458009674.db2.gz QGTNJRGRJSWWQA-MWLCHTKSSA-N 0 3 336.233 3.086 10 10 EGCEHN CCOc1cccc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c1[O-] ZINC000527736591 459719204 /nfs/dbraw/zinc/71/92/04/459719204.db2.gz STDYGXPGIXLOKM-IBGZPJMESA-N 0 3 329.396 3.111 10 10 EGCEHN COc1ccc(C(C)(C)NCc2cc3c(cc2O)OCO3)cc1F ZINC000527780143 459734420 /nfs/dbraw/zinc/73/44/20/459734420.db2.gz CYLJXAJCYRJALR-UHFFFAOYSA-N 0 3 333.359 3.294 10 10 EGCEHN CN(CCC[NH+](C)C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708139128 1298235579 /nfs/dbraw/zinc/23/55/79/1298235579.db2.gz FRIJCMSPDBAPFA-UHFFFAOYSA-N 0 3 335.673 3.192 10 10 EGCEHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895696324 1309471224 /nfs/dbraw/zinc/47/12/24/1309471224.db2.gz UGULTOQYTTZZIW-UHFFFAOYSA-N 0 3 339.435 3.441 10 10 EGCEHN CC1(C)OC[C@H]2C[C@]21NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000858227609 1328716267 /nfs/dbraw/zinc/71/62/67/1328716267.db2.gz AKBBAMQKSXIDBV-BEFAXECRSA-N 0 3 345.443 3.242 10 10 EGCEHN C[C@H]1C[C@H]([NH2+]Cc2ccc3oc(=O)n(C)c3c2)c2c1c(F)ccc2[O-] ZINC000858539737 1328791659 /nfs/dbraw/zinc/79/16/59/1328791659.db2.gz KSCCKHITNRWXBI-GWCFXTLKSA-N 0 3 342.370 3.314 10 10 EGCEHN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC001301112816 1383695956 /nfs/dbraw/zinc/69/59/56/1383695956.db2.gz VJTSHGMJBVEJGL-IBGZPJMESA-N 0 3 339.483 3.473 10 10 EGCEHN CCC(C)(C)N1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC001312532552 1384355460 /nfs/dbraw/zinc/35/54/60/1384355460.db2.gz SUHPAPADGPBOID-INIZCTEOSA-N 0 3 346.519 3.329 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)c2c(C)coc2C)cc1C ZINC001732850014 1429009355 /nfs/dbraw/zinc/00/93/55/1429009355.db2.gz YSPUSKMMDDLTRX-WAYWQWQTSA-N 0 3 342.439 3.289 10 10 EGCEHN Cc1ccc([C@H](C[NH2+][C@H](C)c2ccccc2[O-])N2CCOCC2)s1 ZINC000183597605 455310091 /nfs/dbraw/zinc/31/00/91/455310091.db2.gz VJAJVWVLKQNUSK-WBVHZDCISA-N 0 3 346.496 3.486 10 10 EGCEHN COc1cccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000071825309 454225963 /nfs/dbraw/zinc/22/59/63/454225963.db2.gz OZHDKGFBDUDYBA-UHFFFAOYSA-N 0 3 344.430 3.085 10 10 EGCEHN Fc1cccc2c1CC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000071837173 454227692 /nfs/dbraw/zinc/22/76/92/454227692.db2.gz RSMCYYCHPHMNKP-FQEVSTJZSA-N 0 3 326.415 3.439 10 10 EGCEHN CCOc1c(OC)cc(CNCc2ccc(N(C)C)cc2)cc1OC ZINC000064616538 454493842 /nfs/dbraw/zinc/49/38/42/454493842.db2.gz MZFPZQUWVGHVOE-UHFFFAOYSA-N 0 3 344.455 3.458 10 10 EGCEHN CN1C(=O)C[C@H]([NH2+]Cc2ccccc2[O-])[C@H]1c1ccc(Cl)cc1 ZINC000125254503 454808284 /nfs/dbraw/zinc/80/82/84/454808284.db2.gz CQIASLWFZPWTKI-MAUKXSAKSA-N 0 3 330.815 3.107 10 10 EGCEHN C[C@@H](N[C@@H](C)Cn1cncn1)c1ccc(N2CCCCCC2)cc1 ZINC000164178583 454876750 /nfs/dbraw/zinc/87/67/50/454876750.db2.gz QKNSRFSRGHYRPL-DLBZAZTESA-N 0 3 327.476 3.398 10 10 EGCEHN CCc1nccn1[C@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000180138550 455138735 /nfs/dbraw/zinc/13/87/35/455138735.db2.gz ISZKRFBUVQBDHC-HNNXBMFYSA-N 0 3 345.443 3.005 10 10 EGCEHN CCOc1cccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[O-] ZINC000190289990 455293397 /nfs/dbraw/zinc/29/33/97/455293397.db2.gz FSKIPNZPXSDTST-HOTGVXAUSA-N 0 3 333.453 3.060 10 10 EGCEHN CCOc1cccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[O-] ZINC000190289990 455293401 /nfs/dbraw/zinc/29/34/01/455293401.db2.gz FSKIPNZPXSDTST-HOTGVXAUSA-N 0 3 333.453 3.060 10 10 EGCEHN Cc1nc(CN2CCC[N@H+](Cc3cccc(C)c3[O-])CC2)cs1 ZINC000183450188 455294489 /nfs/dbraw/zinc/29/44/89/455294489.db2.gz JRQDLKRASKLKFV-UHFFFAOYSA-N 0 3 331.485 3.173 10 10 EGCEHN Cc1nc(CN2CCC[N@@H+](Cc3cccc(C)c3[O-])CC2)cs1 ZINC000183450188 455294495 /nfs/dbraw/zinc/29/44/95/455294495.db2.gz JRQDLKRASKLKFV-UHFFFAOYSA-N 0 3 331.485 3.173 10 10 EGCEHN C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000185573625 455580325 /nfs/dbraw/zinc/58/03/25/455580325.db2.gz RXXUINQOJJGOGO-INIZCTEOSA-N 0 3 349.494 3.132 10 10 EGCEHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000248868316 455735832 /nfs/dbraw/zinc/73/58/32/455735832.db2.gz IVDKAEBTTNANEG-GUYCJALGSA-N 0 3 325.836 3.181 10 10 EGCEHN COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000248868316 455735839 /nfs/dbraw/zinc/73/58/39/455735839.db2.gz IVDKAEBTTNANEG-GUYCJALGSA-N 0 3 325.836 3.181 10 10 EGCEHN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2[O-])[C@H]1Oc1ccccc1 ZINC000249466527 455757068 /nfs/dbraw/zinc/75/70/68/455757068.db2.gz SLCKYBXWOYZTLI-ILZDJORESA-N 0 3 343.423 3.115 10 10 EGCEHN CCO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C12CCOCC2 ZINC000186455093 455772298 /nfs/dbraw/zinc/77/22/98/455772298.db2.gz IOOKXRYLKNWDIA-HOTGVXAUSA-N 0 3 339.863 3.418 10 10 EGCEHN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])CC[C@@H]2C1 ZINC000293795299 455796667 /nfs/dbraw/zinc/79/66/67/455796667.db2.gz CWJCATNZPAEBSW-IYBDPMFKSA-N 0 3 346.471 3.471 10 10 EGCEHN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3[O-])CC[C@@H]2C1 ZINC000293795299 455796675 /nfs/dbraw/zinc/79/66/75/455796675.db2.gz CWJCATNZPAEBSW-IYBDPMFKSA-N 0 3 346.471 3.471 10 10 EGCEHN O=C([C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2)N1CCCCC1 ZINC000378535308 457406103 /nfs/dbraw/zinc/40/61/03/457406103.db2.gz QNZHUBWOZDGUSZ-KRWDZBQOSA-N 0 3 328.456 3.007 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1[O-] ZINC000529669763 459833207 /nfs/dbraw/zinc/83/32/07/459833207.db2.gz PDODCIFASHSECU-PUHVVEEASA-N 0 3 328.250 3.365 10 10 EGCEHN CC(=O)NCCC[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179642767 1294809221 /nfs/dbraw/zinc/80/92/21/1294809221.db2.gz AOVOJKXTRYAJDK-MRXNPFEDSA-N 0 3 326.440 3.482 10 10 EGCEHN CC(=O)NCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179642767 1294809233 /nfs/dbraw/zinc/80/92/33/1294809233.db2.gz AOVOJKXTRYAJDK-MRXNPFEDSA-N 0 3 326.440 3.482 10 10 EGCEHN CC(=O)c1c(F)cncc1NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000897522626 1310362386 /nfs/dbraw/zinc/36/23/86/1310362386.db2.gz NGFXUVPHDBNGMP-GOSISDBHSA-N 0 3 344.434 3.204 10 10 EGCEHN COc1cccc([C@H](C)NC[C@H](n2cccn2)C(F)(F)F)c1O ZINC000858448830 1328765607 /nfs/dbraw/zinc/76/56/07/1328765607.db2.gz GVGSDOBUAUFNNM-GWCFXTLKSA-N 0 3 329.322 3.052 10 10 EGCEHN C[C@@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1cc(F)ccc1[O-] ZINC000858483678 1328775619 /nfs/dbraw/zinc/77/56/19/1328775619.db2.gz WNJAFQYYGHVMSZ-GFCCVEGCSA-N 0 3 347.377 3.139 10 10 EGCEHN C[C@@H]1C[C@H]([NH2+]Cc2ccc3oc(=O)n(C)c3c2)c2c1c(F)ccc2[O-] ZINC000858539739 1328791676 /nfs/dbraw/zinc/79/16/76/1328791676.db2.gz KSCCKHITNRWXBI-MFKMUULPSA-N 0 3 342.370 3.314 10 10 EGCEHN CCCN(CC(F)(F)F)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000859258244 1328956452 /nfs/dbraw/zinc/95/64/52/1328956452.db2.gz KZKJVJFJIBCIED-CYBMUJFWSA-N 0 3 345.409 3.204 10 10 EGCEHN CC[C@H](C)N[C@H](CNC(=O)NCc1c(O)cccc1F)c1ccco1 ZINC000922423670 1322526246 /nfs/dbraw/zinc/52/62/46/1322526246.db2.gz HNNPUTNHWDVFFN-SWLSCSKDSA-N 0 3 349.406 3.053 10 10 EGCEHN C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CCN1C ZINC000925326065 1325123693 /nfs/dbraw/zinc/12/36/93/1325123693.db2.gz UKZVQRXNWRYXRT-CRAIPNDOSA-N 0 3 345.487 3.329 10 10 EGCEHN COc1ncc(Br)cc1CNCc1cccc(C)c1O ZINC000862484445 1329490621 /nfs/dbraw/zinc/49/06/21/1329490621.db2.gz PBMAYSPTGTZYKU-UHFFFAOYSA-N 0 3 337.217 3.157 10 10 EGCEHN COc1cncc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000865432482 1329696561 /nfs/dbraw/zinc/69/65/61/1329696561.db2.gz YHSFNLNUKVWJSC-INIZCTEOSA-N 0 3 341.455 3.086 10 10 EGCEHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H](O)C(F)F)c1[O-] ZINC000866442180 1330112808 /nfs/dbraw/zinc/11/28/08/1330112808.db2.gz GJNFXHIEAKVYKO-KCJUWKMLSA-N 0 3 338.192 3.130 10 10 EGCEHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CO2)CCOCC3)c2c1c(F)ccc2[O-] ZINC000866530757 1330122259 /nfs/dbraw/zinc/12/22/59/1330122259.db2.gz CIMXCQTVYUYICX-UMVBOHGHSA-N 0 3 335.419 3.255 10 10 EGCEHN O=C1C[C@H](c2ccccc2)N(Cc2ccc(N3CCCC3)cc2)CCN1 ZINC001116440078 1370911115 /nfs/dbraw/zinc/91/11/15/1370911115.db2.gz KEIRYOPGQWWGMJ-OAQYLSRUSA-N 0 3 349.478 3.350 10 10 EGCEHN CC1(C)CN(Cc2ccc(N3CCCC3)cc2)C[C@]2(CCOC2)O1 ZINC001116866196 1370990065 /nfs/dbraw/zinc/99/00/65/1370990065.db2.gz VTSZQCWQZIPDOF-FQEVSTJZSA-N 0 3 330.472 3.057 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCC3(CC3)C2)N(C)C)cc1 ZINC001134686154 1376658164 /nfs/dbraw/zinc/65/81/64/1376658164.db2.gz BMQLKYPNVZZIHB-HKUYNNGSSA-N 0 3 343.515 3.442 10 10 EGCEHN CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1=CCCCC1 ZINC001714574698 1419309066 /nfs/dbraw/zinc/30/90/66/1419309066.db2.gz VVIDLDLQSYCVHL-UHFFFAOYSA-N 0 3 343.431 3.011 10 10 EGCEHN [O-]c1c(C[NH+]2CCN(Cc3ccccc3)CC2)ccc2cccnc21 ZINC000022884708 212331684 /nfs/dbraw/zinc/33/16/84/212331684.db2.gz PWSBESQKEQTQNB-UHFFFAOYSA-N 0 3 333.435 3.258 10 10 EGCEHN CCOc1cccc(C[N@@H+]2CCC[C@H](n3ccnc3CC)C2)c1[O-] ZINC000122882633 454578903 /nfs/dbraw/zinc/57/89/03/454578903.db2.gz UBJWWGNSSLHJMM-INIZCTEOSA-N 0 3 329.444 3.387 10 10 EGCEHN CCOc1cccc(C[N@H+]2CCC[C@H](n3ccnc3CC)C2)c1[O-] ZINC000122882633 454578907 /nfs/dbraw/zinc/57/89/07/454578907.db2.gz UBJWWGNSSLHJMM-INIZCTEOSA-N 0 3 329.444 3.387 10 10 EGCEHN C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185115619 455504295 /nfs/dbraw/zinc/50/42/95/455504295.db2.gz RPCPOJJVMMZYSG-RYUDHWBXSA-N 0 3 347.286 3.196 10 10 EGCEHN Cc1cccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1[O-] ZINC000179613000 455061308 /nfs/dbraw/zinc/06/13/08/455061308.db2.gz FXQNJNROMZIMPT-UHFFFAOYSA-N 0 3 330.472 3.315 10 10 EGCEHN Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3[O-])C2)n1 ZINC000180121559 455135293 /nfs/dbraw/zinc/13/52/93/455135293.db2.gz SVYLMSGBPUTADX-OAHLLOKOSA-N 0 3 348.878 3.475 10 10 EGCEHN Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(C)c3[O-])C2)n1 ZINC000180121559 455135295 /nfs/dbraw/zinc/13/52/95/455135295.db2.gz SVYLMSGBPUTADX-OAHLLOKOSA-N 0 3 348.878 3.475 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1[O-] ZINC000182636447 455558392 /nfs/dbraw/zinc/55/83/92/455558392.db2.gz QKSYZDRWKJNLBU-HOCLYGCPSA-N 0 3 327.877 3.498 10 10 EGCEHN CC1(C)C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000280194557 455913709 /nfs/dbraw/zinc/91/37/09/455913709.db2.gz HPLPFIIYSWEFBD-FQEVSTJZSA-N 0 3 327.424 3.315 10 10 EGCEHN CC1(C)C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000280194557 455913714 /nfs/dbraw/zinc/91/37/14/455913714.db2.gz HPLPFIIYSWEFBD-FQEVSTJZSA-N 0 3 327.424 3.315 10 10 EGCEHN CCOCc1cc(CN[C@H]2CC[C@@H](C(=O)OCC)C2)ccc1OC ZINC000280640416 456020596 /nfs/dbraw/zinc/02/05/96/456020596.db2.gz IIQCGEZMAVKGPW-WBVHZDCISA-N 0 3 335.444 3.053 10 10 EGCEHN Cc1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289593694 456132208 /nfs/dbraw/zinc/13/22/08/456132208.db2.gz KMVDSYWRNLIWGN-WCQYABFASA-N 0 3 337.769 3.347 10 10 EGCEHN CCOc1ccc(O)c(CN2CCC(Oc3ncccc3F)CC2)c1 ZINC000370090372 457537665 /nfs/dbraw/zinc/53/76/65/457537665.db2.gz GDPJMBMMTUOESY-UHFFFAOYSA-N 0 3 346.402 3.368 10 10 EGCEHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c([O-])c1C ZINC000368316220 458025706 /nfs/dbraw/zinc/02/57/06/458025706.db2.gz OHGYDCZZMUNPLW-CVEARBPZSA-N 0 3 328.460 3.062 10 10 EGCEHN COc1cc([O-])c(C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1OC ZINC000529643896 459831810 /nfs/dbraw/zinc/83/18/10/459831810.db2.gz VYJXIVVTVFSVBY-MDASCCDHSA-N 0 3 345.826 3.491 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1[O-] ZINC000529637056 459831853 /nfs/dbraw/zinc/83/18/53/459831853.db2.gz MYMPITFQJGAKGQ-LBPRGKRZSA-N 0 3 333.741 3.444 10 10 EGCEHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731345285 575067283 /nfs/dbraw/zinc/06/72/83/575067283.db2.gz KZCKQKFMGNMGNZ-GOSISDBHSA-N 0 3 335.467 3.163 10 10 EGCEHN [O-]c1cccc(Br)c1CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000706843036 1298224686 /nfs/dbraw/zinc/22/46/86/1298224686.db2.gz LVDDDQQFHCRPIT-INIZCTEOSA-N 0 3 339.277 3.120 10 10 EGCEHN COC(=O)c1c(CNCCc2ccco2)c2cc(F)ccc2n1C ZINC000894147879 1306245677 /nfs/dbraw/zinc/24/56/77/1306245677.db2.gz QYYBLBUJZPUPJB-UHFFFAOYSA-N 0 3 330.359 3.029 10 10 EGCEHN COc1cc(C)cc(CN2Cc3cccnc3N3CCC[C@H]3C2)c1O ZINC000895462771 1309350554 /nfs/dbraw/zinc/35/05/54/1309350554.db2.gz WRJKZEAYIZASOT-KRWDZBQOSA-N 0 3 339.439 3.089 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+]CCc2ccns2)c1[O-] ZINC000895529317 1309386447 /nfs/dbraw/zinc/38/64/47/1309386447.db2.gz JCDKZCPLZGFHEW-UHFFFAOYSA-N 0 3 327.247 3.252 10 10 EGCEHN C[C@@H]1CCCCN1CC[NH2+]Cc1c([O-])cccc1Br ZINC000858099067 1328681552 /nfs/dbraw/zinc/68/15/52/1328681552.db2.gz UZHSDEYPBDVYML-GFCCVEGCSA-N 0 3 327.266 3.119 10 10 EGCEHN CN(C)c1ccc(/C=C/CNC[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000858208549 1328712077 /nfs/dbraw/zinc/71/20/77/1328712077.db2.gz IBWGKGRLJKSUHK-LLCTXKFZSA-N 0 3 338.377 3.356 10 10 EGCEHN C[C@H](N[C@@H]1CCN(C2CCC2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000858602468 1328806563 /nfs/dbraw/zinc/80/65/63/1328806563.db2.gz ADKSGEHUWOMCKE-OXJNMPFZSA-N 0 3 341.499 3.481 10 10 EGCEHN Cc1cc(C(=O)N[C@@H]2CCCN(C)C2)c(C)n1-c1cccc(C)c1 ZINC000918708044 1321981577 /nfs/dbraw/zinc/98/15/77/1321981577.db2.gz HNTWESSOHXYLTJ-QGZVFWFLSA-N 0 3 325.456 3.227 10 10 EGCEHN Cc1cnc(Cl)c(CNCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000922333603 1322503785 /nfs/dbraw/zinc/50/37/85/1322503785.db2.gz SRXTUMNMSZXHLL-UHFFFAOYSA-N 0 3 344.890 3.085 10 10 EGCEHN COC(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000862447482 1329488450 /nfs/dbraw/zinc/48/84/50/1329488450.db2.gz NVVRJWRIGMLJGX-UHFFFAOYSA-N 0 3 333.815 3.359 10 10 EGCEHN Cc1cc([O-])c(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000863645728 1329570236 /nfs/dbraw/zinc/57/02/36/1329570236.db2.gz LZHOTLFEPNNHNN-JQWIXIFHSA-N 0 3 336.785 3.313 10 10 EGCEHN CC[C@@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccccc1[O-] ZINC000866516640 1330120872 /nfs/dbraw/zinc/12/08/72/1330120872.db2.gz FSWZRVZDMOXAKZ-QGPMSJSTSA-N 0 3 345.464 3.438 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)C3(C)CC=CC3)CC2)cc1C ZINC001323530042 1387382996 /nfs/dbraw/zinc/38/29/96/1387382996.db2.gz IEWGCFYKGGFBOR-UHFFFAOYSA-N 0 3 328.456 3.098 10 10 EGCEHN CC[C@@H]1CCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881620 1376765378 /nfs/dbraw/zinc/76/53/78/1376765378.db2.gz BGOPKDBTGCGSRF-ATZDWAIDSA-N 0 3 331.504 3.298 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2C[C@@H]2C(C)C)cc1C ZINC001274470282 1378126207 /nfs/dbraw/zinc/12/62/07/1378126207.db2.gz ACTILYYLCNGIOG-PJHKVULZSA-N 0 3 330.472 3.058 10 10 EGCEHN Cc1cc(CN2CCNC(=O)CC2(C)C)ccc1N1CCCCC1 ZINC001308003249 1384072913 /nfs/dbraw/zinc/07/29/13/1384072913.db2.gz UJPBKLBWFLBNOI-UHFFFAOYSA-N 0 3 329.488 3.086 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)N(C)C[C@H]2CC2(C)C)N(C)C)cc1 ZINC001479532831 1392272606 /nfs/dbraw/zinc/27/26/06/1392272606.db2.gz DIUPIFGEAOKXJK-SJLPKXTDSA-N 0 3 346.519 3.043 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CC23CCCC3)cc1C ZINC001715889462 1420384554 /nfs/dbraw/zinc/38/45/54/1420384554.db2.gz IBUCWTGOUQZWMH-XFHJGTJQSA-N 0 3 342.483 3.346 10 10 EGCEHN CCOc1cccc(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1[O-] ZINC000092813179 454640196 /nfs/dbraw/zinc/64/01/96/454640196.db2.gz LJJUNKRFDNWDIF-MRXNPFEDSA-N 0 3 341.455 3.428 10 10 EGCEHN CCOc1cccc(C[N@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1[O-] ZINC000092813179 454640201 /nfs/dbraw/zinc/64/02/01/454640201.db2.gz LJJUNKRFDNWDIF-MRXNPFEDSA-N 0 3 341.455 3.428 10 10 EGCEHN CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000125254331 454807992 /nfs/dbraw/zinc/80/79/92/454807992.db2.gz CQIASLWFZPWTKI-QAPCUYQASA-N 0 3 330.815 3.107 10 10 EGCEHN Oc1ccccc1CN(Cc1cnn2ccccc12)C[C@@H]1CCCO1 ZINC000179570727 455059475 /nfs/dbraw/zinc/05/94/75/455059475.db2.gz VTQUVUYJLHXPQJ-SFHVURJKSA-N 0 3 337.423 3.221 10 10 EGCEHN COc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000179613090 455061775 /nfs/dbraw/zinc/06/17/75/455061775.db2.gz QQPZYTGQIATRPS-UHFFFAOYSA-N 0 3 346.471 3.015 10 10 EGCEHN COc1ccc(O)c(CN2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000179613090 455061779 /nfs/dbraw/zinc/06/17/79/455061779.db2.gz QQPZYTGQIATRPS-UHFFFAOYSA-N 0 3 346.471 3.015 10 10 EGCEHN CN(C)c1ccc(CN2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000179752222 455073043 /nfs/dbraw/zinc/07/30/43/455073043.db2.gz IBVSFJZNSJEOJS-UHFFFAOYSA-N 0 3 343.515 3.367 10 10 EGCEHN CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000190851505 455391976 /nfs/dbraw/zinc/39/19/76/455391976.db2.gz PYTJDBCPNFGIEG-QGZVFWFLSA-N 0 3 348.487 3.020 10 10 EGCEHN CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000190851505 455391980 /nfs/dbraw/zinc/39/19/80/455391980.db2.gz PYTJDBCPNFGIEG-QGZVFWFLSA-N 0 3 348.487 3.020 10 10 EGCEHN C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc2c(cc1[O-])CCCC2 ZINC000185025626 455487380 /nfs/dbraw/zinc/48/73/80/455487380.db2.gz XRHPGPQVCQSRMD-CQSZACIVSA-N 0 3 349.438 3.098 10 10 EGCEHN CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc(C)ccc3[O-])C2)ncn1 ZINC000248486729 455716848 /nfs/dbraw/zinc/71/68/48/455716848.db2.gz FTIIVIMCWHLEBX-NVXWUHKLSA-N 0 3 340.471 3.373 10 10 EGCEHN O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000296214856 455882084 /nfs/dbraw/zinc/88/20/84/455882084.db2.gz ZPRPQPSESBBEIH-GOSISDBHSA-N 0 3 336.435 3.274 10 10 EGCEHN COc1ccc([O-])c(C[NH2+]CC2CCN(c3ccccc3)CC2)c1 ZINC000280499013 455984302 /nfs/dbraw/zinc/98/43/02/455984302.db2.gz FYBNMNLMPUNZFB-UHFFFAOYSA-N 0 3 326.440 3.407 10 10 EGCEHN CN(C)C(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000271031203 456103788 /nfs/dbraw/zinc/10/37/88/456103788.db2.gz HPQWZDCNMVNIFK-UHFFFAOYSA-N 0 3 338.451 3.359 10 10 EGCEHN CCOc1ccc(O)c(CN2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000289247972 456119481 /nfs/dbraw/zinc/11/94/81/456119481.db2.gz FBENZDLMSMUJQR-OAHLLOKOSA-N 0 3 333.350 3.070 10 10 EGCEHN Cc1cccc2c1OCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000188952580 456180490 /nfs/dbraw/zinc/18/04/90/456180490.db2.gz RFAFNGDTRRXACU-FQEVSTJZSA-N 0 3 338.451 3.445 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c([O-])c1C ZINC000273433897 456230580 /nfs/dbraw/zinc/23/05/80/456230580.db2.gz WKCAJHTYVNHWJN-HOTGVXAUSA-N 0 3 326.444 3.119 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000273493096 456234311 /nfs/dbraw/zinc/23/43/11/456234311.db2.gz OREVLFXUHVXSOL-KGLIPLIRSA-N 0 3 337.485 3.496 10 10 EGCEHN C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1cc2c(cc1[O-])CCCC2 ZINC000282968500 456677487 /nfs/dbraw/zinc/67/74/87/456677487.db2.gz CZKIZTIYJIWURX-SCLBCKFNSA-N 0 3 328.456 3.123 10 10 EGCEHN COc1cc([O-])c(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1OC ZINC000362040594 458020691 /nfs/dbraw/zinc/02/06/91/458020691.db2.gz PZVPZDYRUPZGSQ-QRWLVFNGSA-N 0 3 343.423 3.277 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCOC3(CCOCC3)CC2)c1[O-] ZINC000372127451 458200430 /nfs/dbraw/zinc/20/04/30/458200430.db2.gz CAUNYLRTKXEDOV-UHFFFAOYSA-N 0 3 325.836 3.126 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CCOC3(CCOCC3)CC2)c1[O-] ZINC000372127451 458200437 /nfs/dbraw/zinc/20/04/37/458200437.db2.gz CAUNYLRTKXEDOV-UHFFFAOYSA-N 0 3 325.836 3.126 10 10 EGCEHN Cc1noc(C)c1CO[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000365838004 547778491 /nfs/dbraw/zinc/77/84/91/547778491.db2.gz MTNMOJGSKMIVHL-SFHVURJKSA-N 0 3 329.444 3.149 10 10 EGCEHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000157249991 1294172877 /nfs/dbraw/zinc/17/28/77/1294172877.db2.gz FHQMAVUHPBBZSE-OAHLLOKOSA-N 0 3 339.357 3.446 10 10 EGCEHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000157249991 1294172883 /nfs/dbraw/zinc/17/28/83/1294172883.db2.gz FHQMAVUHPBBZSE-OAHLLOKOSA-N 0 3 339.357 3.446 10 10 EGCEHN Oc1ccccc1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000179553332 1294804925 /nfs/dbraw/zinc/80/49/25/1294804925.db2.gz DQLRXCIOVSPYQM-UHFFFAOYSA-N 0 3 337.345 3.128 10 10 EGCEHN Cc1cc([C@H](N)CC(=O)N[C@@H](C)c2ccccc2O)cc(Cl)n1 ZINC000870988223 1296165861 /nfs/dbraw/zinc/16/58/61/1296165861.db2.gz JFEXPLCSWUUMRR-SMDDNHRTSA-N 0 3 333.819 3.016 10 10 EGCEHN CCN1CCC[C@H](NC(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000918396613 1319950382 /nfs/dbraw/zinc/95/03/82/1319950382.db2.gz UWGVZSKEFVKLDC-HNNXBMFYSA-N 0 3 331.485 3.370 10 10 EGCEHN CC[C@@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)c1cc(Cl)ccc1[O-] ZINC000925790990 1325303156 /nfs/dbraw/zinc/30/31/56/1325303156.db2.gz JWXZBXCYTINSCV-GOEBONIOSA-N 0 3 338.879 3.245 10 10 EGCEHN CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000862274514 1329472891 /nfs/dbraw/zinc/47/28/91/1329472891.db2.gz QAGOZFZJKPIXJI-CYBMUJFWSA-N 0 3 342.386 3.127 10 10 EGCEHN C[C@@H]1C[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c2c1c(F)ccc2[O-] ZINC000866437413 1330112528 /nfs/dbraw/zinc/11/25/28/1330112528.db2.gz GQXAXDWUCMYYTR-DGCLKSJQSA-N 0 3 339.407 3.028 10 10 EGCEHN C[C@H]([NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccccc1[O-] ZINC000866518362 1330121230 /nfs/dbraw/zinc/12/12/30/1330121230.db2.gz YHBUTQWBIDSVJO-DZKIICNBSA-N 0 3 331.437 3.048 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000866527044 1330121696 /nfs/dbraw/zinc/12/16/96/1330121696.db2.gz SYNZVPXFTPKYRU-HNNXBMFYSA-N 0 3 348.487 3.157 10 10 EGCEHN COc1cc(Br)cc(C[NH2+]C2CC3(CC3(F)F)C2)c1[O-] ZINC001327845646 1388604859 /nfs/dbraw/zinc/60/48/59/1388604859.db2.gz RSKRLUCNWWCGIH-UHFFFAOYSA-N 0 3 348.187 3.441 10 10 EGCEHN Cc1cc(C(=O)N[C@@]23CCN(C2)CCC3)c(C)n1-c1ccc(F)cc1 ZINC001175056424 1385187188 /nfs/dbraw/zinc/18/71/88/1385187188.db2.gz YLRHPIAASCGNSR-FQEVSTJZSA-N 0 3 341.430 3.201 10 10 EGCEHN CN(C)c1ccc(CN2CCN(CCCOC(C)(C)C)CC2)cc1 ZINC001175733386 1385388751 /nfs/dbraw/zinc/38/87/51/1385388751.db2.gz NKWVAUCNEGKXAV-UHFFFAOYSA-N 0 3 333.520 3.075 10 10 EGCEHN CN(C)c1cc(F)c(CNCCc2cnc(C3CC3)nc2)cc1F ZINC001329722006 1389209470 /nfs/dbraw/zinc/20/94/70/1389209470.db2.gz IZXWIKJQUSEPME-UHFFFAOYSA-N 0 3 332.398 3.031 10 10 EGCEHN COc1cc(Br)cc(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1[O-] ZINC001330767550 1389521822 /nfs/dbraw/zinc/52/18/22/1389521822.db2.gz STGGRPAWFZQSOC-JGPRNRPPSA-N 0 3 348.187 3.297 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CC23CCCC3)cc1C ZINC001715889461 1420384417 /nfs/dbraw/zinc/38/44/17/1420384417.db2.gz IBUCWTGOUQZWMH-QWNKOJSDSA-N 0 3 342.483 3.346 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2)N2CCCC2)cc1 ZINC000005098044 210390162 /nfs/dbraw/zinc/39/01/62/210390162.db2.gz MBUOLUZPGASNSV-HXUWFJFHSA-N 0 3 337.467 3.320 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)N(C)C)cc1 ZINC000005097751 210389705 /nfs/dbraw/zinc/38/97/05/210389705.db2.gz QKRXDVYJZMDPQW-GOSISDBHSA-N 0 3 345.874 3.439 10 10 EGCEHN CCOc1cccc(C[NH2+]C[C@]2(C)COc3ccccc3O2)c1[O-] ZINC000527736592 312927942 /nfs/dbraw/zinc/92/79/42/312927942.db2.gz STDYGXPGIXLOKM-LJQANCHMSA-N 0 3 329.396 3.111 10 10 EGCEHN COc1cccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1[O-] ZINC000121043312 454382887 /nfs/dbraw/zinc/38/28/87/454382887.db2.gz SAILAUFTCRXWEO-UHFFFAOYSA-N 0 3 346.471 3.015 10 10 EGCEHN COc1ccc(NC(=O)[C@H]2CCCN2Cc2cc(C)ccc2O)cc1 ZINC000091977260 454499144 /nfs/dbraw/zinc/49/91/44/454499144.db2.gz XRSVMVMNWATTSN-GOSISDBHSA-N 0 3 340.423 3.312 10 10 EGCEHN CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)c1O ZINC000245609823 455339865 /nfs/dbraw/zinc/33/98/65/455339865.db2.gz NYGVZZAQFFFWRG-YVEFUNNKSA-N 0 3 331.391 3.014 10 10 EGCEHN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000245609823 455339868 /nfs/dbraw/zinc/33/98/68/455339868.db2.gz NYGVZZAQFFFWRG-YVEFUNNKSA-N 0 3 331.391 3.014 10 10 EGCEHN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000245609823 455339873 /nfs/dbraw/zinc/33/98/73/455339873.db2.gz NYGVZZAQFFFWRG-YVEFUNNKSA-N 0 3 331.391 3.014 10 10 EGCEHN CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2[O-])c2ccc(F)cc2C1 ZINC000185352819 455546694 /nfs/dbraw/zinc/54/66/94/455546694.db2.gz UQFDCANYNWDWGN-LJQANCHMSA-N 0 3 342.414 3.423 10 10 EGCEHN CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc3c(cc1[O-])CCCC3)CC2 ZINC000185995687 455670807 /nfs/dbraw/zinc/67/08/07/455670807.db2.gz HUDPRURTVVIYRD-CZUORRHYSA-N 0 3 340.471 3.091 10 10 EGCEHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3[O-])CC[C@H]21 ZINC000292781247 455756453 /nfs/dbraw/zinc/75/64/53/455756453.db2.gz LLBCSRJJSHODDU-GOEBONIOSA-N 0 3 332.444 3.224 10 10 EGCEHN CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@H]21 ZINC000292781247 455756460 /nfs/dbraw/zinc/75/64/60/455756460.db2.gz LLBCSRJJSHODDU-GOEBONIOSA-N 0 3 332.444 3.224 10 10 EGCEHN CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(C)cc1[O-] ZINC000279966094 455879620 /nfs/dbraw/zinc/87/96/20/455879620.db2.gz CPNJTBCKZISDKL-OALUTQOASA-N 0 3 340.467 3.441 10 10 EGCEHN CC[C@H]([NH2+][C@H]1CCCN(c2cc(C)nn2C)C1)c1ccc(C)cc1[O-] ZINC000280058375 455882314 /nfs/dbraw/zinc/88/23/14/455882314.db2.gz KDWAJIAWLPPOED-WMZOPIPTSA-N 0 3 342.487 3.452 10 10 EGCEHN COc1cc(O)c(CN[C@H]2CCOc3c(C)cccc32)cc1OC ZINC000188128252 456003996 /nfs/dbraw/zinc/00/39/96/456003996.db2.gz SBHZTTCZVVZLNW-HNNXBMFYSA-N 0 3 329.396 3.331 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000364769736 457690422 /nfs/dbraw/zinc/69/04/22/457690422.db2.gz LZIJQEVPNAXXIV-HIFRSBDPSA-N 0 3 329.444 3.386 10 10 EGCEHN C[C@H](Cn1cncn1)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367539531 457960801 /nfs/dbraw/zinc/96/08/01/457960801.db2.gz AXCAXJCPRUSVEM-QGZVFWFLSA-N 0 3 347.466 3.019 10 10 EGCEHN C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1[O-] ZINC000530213605 458718410 /nfs/dbraw/zinc/71/84/10/458718410.db2.gz ATNIGUDISBYYFT-IINYFYTJSA-N 0 3 325.250 3.090 10 10 EGCEHN COc1ccc(CN2CC[C@H]2C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000527971452 459785744 /nfs/dbraw/zinc/78/57/44/459785744.db2.gz SIDVHNSKWWIPAZ-RDJZCZTQSA-N 0 3 326.440 3.326 10 10 EGCEHN CN(C)c1ccc(CN(C)C(=O)CN2CCC3(C2)CCCCC3)cc1 ZINC000741807795 576724389 /nfs/dbraw/zinc/72/43/89/576724389.db2.gz LWODBPZRVSOTLE-UHFFFAOYSA-N 0 3 343.515 3.367 10 10 EGCEHN [O-]c1cccc(Br)c1CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000706843043 1298223790 /nfs/dbraw/zinc/22/37/90/1298223790.db2.gz LVDDDQQFHCRPIT-MRXNPFEDSA-N 0 3 339.277 3.120 10 10 EGCEHN COC(=O)c1c(CN[C@@H]2CS[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894993415 1309147326 /nfs/dbraw/zinc/14/73/26/1309147326.db2.gz RUUBLWBJYUBHOV-PWSUYJOCSA-N 0 3 336.432 3.088 10 10 EGCEHN C[C@H](NC[C@H](n1cccn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000858449101 1328765364 /nfs/dbraw/zinc/76/53/64/1328765364.db2.gz WNYZXACZDNOHEI-WFASDCNBSA-N 0 3 326.366 3.403 10 10 EGCEHN COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)c1[O-] ZINC000858592506 1328804102 /nfs/dbraw/zinc/80/41/02/1328804102.db2.gz DNQBSNDSLRZCNJ-JBLDHEPKSA-N 0 3 344.249 3.239 10 10 EGCEHN CN1CC[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CC1(C)C ZINC000862366590 1329478608 /nfs/dbraw/zinc/47/86/08/1329478608.db2.gz UHSQBYTZZJTAOQ-ZDUSSCGKSA-N 0 3 327.266 3.117 10 10 EGCEHN CC(C)[C@]1(C)C[C@@H]1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001229750017 1375885872 /nfs/dbraw/zinc/88/58/72/1375885872.db2.gz BVRGBAXCJNBWGE-HBFSDRIKSA-N 0 3 346.519 3.089 10 10 EGCEHN CCC(C)(C)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001234316876 1376806143 /nfs/dbraw/zinc/80/61/43/1376806143.db2.gz SDDNHXLFUNLBSP-SFHVURJKSA-N 0 3 348.535 3.481 10 10 EGCEHN C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H]1C ZINC001313410055 1384416502 /nfs/dbraw/zinc/41/65/02/1384416502.db2.gz DGSFDVRWTVEOKM-MDZRGWNJSA-N 0 3 346.519 3.043 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)c2ccoc2Cl)cc1C ZINC001715808345 1420351836 /nfs/dbraw/zinc/35/18/36/1420351836.db2.gz GZTLCNYBQRNZQS-ONEGZZNKSA-N 0 3 348.830 3.326 10 10 EGCEHN CN(CCOc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000071004822 454192049 /nfs/dbraw/zinc/19/20/49/454192049.db2.gz YLNSVGRETNYTNE-UHFFFAOYSA-N 0 3 326.440 3.034 10 10 EGCEHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1OC ZINC000160076880 455426328 /nfs/dbraw/zinc/42/63/28/455426328.db2.gz SUHRVWBPYMBRTQ-LBPRGKRZSA-N 0 3 334.441 3.246 10 10 EGCEHN COc1cc([O-])c(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1OC ZINC000160076880 455426330 /nfs/dbraw/zinc/42/63/30/455426330.db2.gz SUHRVWBPYMBRTQ-LBPRGKRZSA-N 0 3 334.441 3.246 10 10 EGCEHN COc1cc(O)c(CN2CCC[C@H](c3nccs3)C2)cc1OC ZINC000160076880 455426335 /nfs/dbraw/zinc/42/63/35/455426335.db2.gz SUHRVWBPYMBRTQ-LBPRGKRZSA-N 0 3 334.441 3.246 10 10 EGCEHN Cc1ccc(N2CCC[N@H+](Cc3c([O-])ccc4ccccc43)CC2)nn1 ZINC000093151449 454689362 /nfs/dbraw/zinc/68/93/62/454689362.db2.gz BCNDSUUBVFCXDC-UHFFFAOYSA-N 0 3 348.450 3.356 10 10 EGCEHN Cc1ccc(N2CCC[N@@H+](Cc3c([O-])ccc4ccccc43)CC2)nn1 ZINC000093151449 454689364 /nfs/dbraw/zinc/68/93/64/454689364.db2.gz BCNDSUUBVFCXDC-UHFFFAOYSA-N 0 3 348.450 3.356 10 10 EGCEHN COc1ccc(N2CCCN(Cc3cnn4ccccc34)CC2)cc1 ZINC000179550492 455056879 /nfs/dbraw/zinc/05/68/79/455056879.db2.gz DIEREEYWHIZBAT-UHFFFAOYSA-N 0 3 336.439 3.055 10 10 EGCEHN Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(C)c3[O-])C2)n1 ZINC000179729260 455070378 /nfs/dbraw/zinc/07/03/78/455070378.db2.gz GNDDZHLEYGCCCW-KRWDZBQOSA-N 0 3 339.439 3.255 10 10 EGCEHN Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(C)c3[O-])C2)n1 ZINC000179729260 455070380 /nfs/dbraw/zinc/07/03/80/455070380.db2.gz GNDDZHLEYGCCCW-KRWDZBQOSA-N 0 3 339.439 3.255 10 10 EGCEHN Cc1cc(Cl)cc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)c1[O-] ZINC000179785313 455079243 /nfs/dbraw/zinc/07/92/43/455079243.db2.gz FDINCTGFIGTRDL-CQSZACIVSA-N 0 3 338.879 3.039 10 10 EGCEHN C[C@H](N[C@H]1CCc2ncnn2C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180594724 455204727 /nfs/dbraw/zinc/20/47/27/455204727.db2.gz ZJKQXFWDSLSHMH-HOCLYGCPSA-N 0 3 343.450 3.073 10 10 EGCEHN CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])C1 ZINC000185059528 455493966 /nfs/dbraw/zinc/49/39/66/455493966.db2.gz ZZGCLPSPUXDLMH-RYUDHWBXSA-N 0 3 327.266 3.147 10 10 EGCEHN CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])c2ccc(F)cc2C1 ZINC000185606198 455584125 /nfs/dbraw/zinc/58/41/25/455584125.db2.gz CVNATWXTIJNLLK-SFHVURJKSA-N 0 3 346.377 3.254 10 10 EGCEHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c1[O-] ZINC000289953567 456194703 /nfs/dbraw/zinc/19/47/03/456194703.db2.gz YAKKUSRRTQKRQT-ZDUSSCGKSA-N 0 3 334.803 3.322 10 10 EGCEHN COc1ccc([O-])c(C[NH+]2CCc3cc(OC)c(OC)cc3CC2)c1 ZINC000371477060 457952784 /nfs/dbraw/zinc/95/27/84/457952784.db2.gz IOIURNIYBIXEPS-UHFFFAOYSA-N 0 3 343.423 3.019 10 10 EGCEHN COc1cc([O-])c(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1OC ZINC000362040595 458020526 /nfs/dbraw/zinc/02/05/26/458020526.db2.gz PZVPZDYRUPZGSQ-YWZLYKJASA-N 0 3 343.423 3.277 10 10 EGCEHN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000373485448 458506387 /nfs/dbraw/zinc/50/63/87/458506387.db2.gz ZRNIJZFKBNOMRG-UZLBHIALSA-N 0 3 327.424 3.315 10 10 EGCEHN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000373485448 458506394 /nfs/dbraw/zinc/50/63/94/458506394.db2.gz ZRNIJZFKBNOMRG-UZLBHIALSA-N 0 3 327.424 3.315 10 10 EGCEHN CC[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000373485445 458506445 /nfs/dbraw/zinc/50/64/45/458506445.db2.gz ZRNIJZFKBNOMRG-OXQOHEQNSA-N 0 3 327.424 3.315 10 10 EGCEHN CC[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000373485445 458506450 /nfs/dbraw/zinc/50/64/50/458506450.db2.gz ZRNIJZFKBNOMRG-OXQOHEQNSA-N 0 3 327.424 3.315 10 10 EGCEHN COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cccc(C)c2[O-])cc1 ZINC000529643041 459831830 /nfs/dbraw/zinc/83/18/30/459831830.db2.gz HXCBPOKZDKJPES-GOSISDBHSA-N 0 3 326.440 3.073 10 10 EGCEHN c1cnc2cc(CNCc3ccc(N4CCOCC4)cc3)ccc2c1 ZINC000727468499 574669961 /nfs/dbraw/zinc/66/99/61/574669961.db2.gz IWYKHLLEEQTNCJ-UHFFFAOYSA-N 0 3 333.435 3.361 10 10 EGCEHN CC[C@H]1CN(Cc2c(O)c(C(=O)OC)cc3ccccc32)C[C@@H](C)O1 ZINC000732186151 575242774 /nfs/dbraw/zinc/24/27/74/575242774.db2.gz YIXDSXSSNGFEAY-HIFRSBDPSA-N 0 3 343.423 3.331 10 10 EGCEHN COc1cccc(CN[C@H](Cc2nccn2C)c2ccccc2)c1O ZINC000742387673 576777835 /nfs/dbraw/zinc/77/78/35/576777835.db2.gz IUBFBBPRRSGDFK-QGZVFWFLSA-N 0 3 337.423 3.208 10 10 EGCEHN COc1cc(C)cc(CN2CCN(C)C[C@H]2c2ccccc2)c1O ZINC000246583028 1296363217 /nfs/dbraw/zinc/36/32/17/1296363217.db2.gz MGBKYSMMDXUKEE-SFHVURJKSA-N 0 3 326.440 3.198 10 10 EGCEHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017287 1328660691 /nfs/dbraw/zinc/66/06/91/1328660691.db2.gz XBISNLDXDYYXGD-KRWDZBQOSA-N 0 3 328.387 3.457 10 10 EGCEHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017287 1328660697 /nfs/dbraw/zinc/66/06/97/1328660697.db2.gz XBISNLDXDYYXGD-KRWDZBQOSA-N 0 3 328.387 3.457 10 10 EGCEHN Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)CCC1(O)CCC1 ZINC000929969747 1328752704 /nfs/dbraw/zinc/75/27/04/1328752704.db2.gz CPMIMDKEWNIFGM-KRWDZBQOSA-N 0 3 345.439 3.044 10 10 EGCEHN CC[C@@H]([NH2+]CCc1ccccc1S(=O)(=O)CC)c1ccccc1[O-] ZINC000926908491 1327769735 /nfs/dbraw/zinc/76/97/35/1327769735.db2.gz LBBAQCSCPIXYPB-QGZVFWFLSA-N 0 3 347.480 3.469 10 10 EGCEHN CCS(=O)(=O)c1ccccc1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000926909873 1327770338 /nfs/dbraw/zinc/77/03/38/1327770338.db2.gz QLXAAWGAZZHZRP-INIZCTEOSA-N 0 3 345.464 3.005 10 10 EGCEHN O=C1C[C@H](CC[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CN1 ZINC000926977107 1327805231 /nfs/dbraw/zinc/80/52/31/1327805231.db2.gz CKWPTHPUEPFZGK-PKOBYXMFSA-N 0 3 338.451 3.182 10 10 EGCEHN O=C(NCc1c([O-])cccc1F)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000928708733 1328404546 /nfs/dbraw/zinc/40/45/46/1328404546.db2.gz RSMDNGZVFFQHAV-QGZVFWFLSA-N 0 3 342.414 3.027 10 10 EGCEHN CC[C@H](N[C@@H]1CC[NH2+][C@H]1CC)c1cc(Br)ccc1[O-] ZINC000863543183 1329561954 /nfs/dbraw/zinc/56/19/54/1329561954.db2.gz LQDYVOBMGBDIKX-MELADBBJSA-N 0 3 327.266 3.336 10 10 EGCEHN C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Br)cc(F)c1[O-] ZINC000863546248 1329562258 /nfs/dbraw/zinc/56/22/58/1329562258.db2.gz KFFBWJWCCKLSJR-YWVKMMECSA-N 0 3 331.229 3.085 10 10 EGCEHN C[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cc(Br)cc(F)c1[O-] ZINC000863546248 1329562261 /nfs/dbraw/zinc/56/22/61/1329562261.db2.gz KFFBWJWCCKLSJR-YWVKMMECSA-N 0 3 331.229 3.085 10 10 EGCEHN CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)N1CCCCC1 ZINC001135261852 1377008749 /nfs/dbraw/zinc/00/87/49/1377008749.db2.gz GRDLKCGKJYQTJQ-UHFFFAOYSA-N 0 3 348.468 3.307 10 10 EGCEHN C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C[C@H]1C ZINC001313410051 1384416479 /nfs/dbraw/zinc/41/64/79/1384416479.db2.gz DGSFDVRWTVEOKM-GPMSIDNRSA-N 0 3 346.519 3.043 10 10 EGCEHN CC[C@@H]1C[C@@H](C)CN1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001313410100 1384416546 /nfs/dbraw/zinc/41/65/46/1384416546.db2.gz DMVPDHAUUKSBCA-SUMDDJOVSA-N 0 3 346.519 3.185 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)NC2CCC=CCC2)N(C)C)cc1 ZINC001479354313 1392224015 /nfs/dbraw/zinc/22/40/15/1392224015.db2.gz BJMLLBBKDXTBFI-IBGZPJMESA-N 0 3 344.503 3.153 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CC2(C)C)N(C)C)cc1 ZINC001479532830 1392272573 /nfs/dbraw/zinc/27/25/73/1392272573.db2.gz DIUPIFGEAOKXJK-FUHWJXTLSA-N 0 3 346.519 3.043 10 10 EGCEHN C[C@@H]1CCC(C)(C)N1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001687807803 1396498834 /nfs/dbraw/zinc/49/88/34/1396498834.db2.gz VZLPTJNENCZNPQ-CRAIPNDOSA-N 0 3 346.519 3.328 10 10 EGCEHN C[C@@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)C ZINC001687807811 1396499046 /nfs/dbraw/zinc/49/90/46/1396499046.db2.gz WBVVQJFYZFSAHW-PBHICJAKSA-N 0 3 334.508 3.089 10 10 EGCEHN CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([O-])c1 ZINC000245754071 455373898 /nfs/dbraw/zinc/37/38/98/455373898.db2.gz HJLXZKVRWGRMDC-QAPCUYQASA-N 0 3 329.444 3.461 10 10 EGCEHN CCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c([O-])c1 ZINC000245754071 455373902 /nfs/dbraw/zinc/37/39/02/455373902.db2.gz HJLXZKVRWGRMDC-QAPCUYQASA-N 0 3 329.444 3.461 10 10 EGCEHN O=C(C1CC[NH+](Cc2ccccc2[O-])CC1)N1CCc2ccccc21 ZINC000179563766 455058952 /nfs/dbraw/zinc/05/89/52/455058952.db2.gz WECMRLRWXWSQJR-UHFFFAOYSA-N 0 3 336.435 3.194 10 10 EGCEHN O=C(C1CC[NH+](Cc2cc(F)ccc2[O-])CC1)N1CCCCCC1 ZINC000179890163 455095063 /nfs/dbraw/zinc/09/50/63/455095063.db2.gz VKDNOOCGXWQKQN-UHFFFAOYSA-N 0 3 334.435 3.146 10 10 EGCEHN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000179931970 455100715 /nfs/dbraw/zinc/10/07/15/455100715.db2.gz UIJMUWZHUNRZFE-AWEZNQCLSA-N 0 3 338.879 3.482 10 10 EGCEHN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000179931970 455100718 /nfs/dbraw/zinc/10/07/18/455100718.db2.gz UIJMUWZHUNRZFE-AWEZNQCLSA-N 0 3 338.879 3.482 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000180079344 455128535 /nfs/dbraw/zinc/12/85/35/455128535.db2.gz DEXCHDYXGFPXCI-MRXNPFEDSA-N 0 3 346.862 3.245 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000180079344 455128539 /nfs/dbraw/zinc/12/85/39/455128539.db2.gz DEXCHDYXGFPXCI-MRXNPFEDSA-N 0 3 346.862 3.245 10 10 EGCEHN CC[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccccc1[O-] ZINC000156969543 455159398 /nfs/dbraw/zinc/15/93/98/455159398.db2.gz DNXXRWPHJRBGTL-HBFSDRIKSA-N 0 3 340.467 3.068 10 10 EGCEHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccc1[O-] ZINC000248384282 455710099 /nfs/dbraw/zinc/71/00/99/455710099.db2.gz DHPKXFIATQNYQP-TXPKVOOTSA-N 0 3 325.456 3.348 10 10 EGCEHN Cc1nocc1CN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000293684669 455794357 /nfs/dbraw/zinc/79/43/57/455794357.db2.gz VXLZUYNQUFVLFW-CQSZACIVSA-N 0 3 337.370 3.343 10 10 EGCEHN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C)c(C)c3[O-])C2)n(C)n1 ZINC000278544429 455839872 /nfs/dbraw/zinc/83/98/72/455839872.db2.gz VFATYWCUYDXHAI-IAGOWNOFSA-N 0 3 342.487 3.371 10 10 EGCEHN C[C@](CO)([NH2+]Cc1ccccc1[O-])c1ccc(Br)cc1 ZINC000285673183 455894409 /nfs/dbraw/zinc/89/44/09/455894409.db2.gz ZWPYBHCOPSLYQV-MRXNPFEDSA-N 0 3 336.229 3.152 10 10 EGCEHN CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296270227 455896480 /nfs/dbraw/zinc/89/64/80/455896480.db2.gz CCKHKJFPYNGRLE-ZFWWWQNUSA-N 0 3 332.444 3.226 10 10 EGCEHN CNC(=O)C1CCC([NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000273361020 456225507 /nfs/dbraw/zinc/22/55/07/456225507.db2.gz AHBIIQGJPZYHTM-TUBUQKNSSA-N 0 3 330.472 3.226 10 10 EGCEHN CCOc1ccc(O)c(CN[C@H]2CCOc3ccc(OC)cc32)c1 ZINC000274226992 456252784 /nfs/dbraw/zinc/25/27/84/456252784.db2.gz DBXSASWREMWZMH-KRWDZBQOSA-N 0 3 329.396 3.413 10 10 EGCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000363949234 457465841 /nfs/dbraw/zinc/46/58/41/457465841.db2.gz HAYQAIKLIZQBOY-FQEVSTJZSA-N 0 3 325.408 3.422 10 10 EGCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000363949234 457465848 /nfs/dbraw/zinc/46/58/48/457465848.db2.gz HAYQAIKLIZQBOY-FQEVSTJZSA-N 0 3 325.408 3.422 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000364769735 457690379 /nfs/dbraw/zinc/69/03/79/457690379.db2.gz LZIJQEVPNAXXIV-DZGCQCFKSA-N 0 3 329.444 3.386 10 10 EGCEHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365828988 457778110 /nfs/dbraw/zinc/77/81/10/457778110.db2.gz HESFDTJGZNAKPZ-UHFFFAOYSA-N 0 3 335.407 3.379 10 10 EGCEHN CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(C)cc1[O-] ZINC000365581614 547777024 /nfs/dbraw/zinc/77/70/24/547777024.db2.gz PYHHGUVHNURVTK-QAPCUYQASA-N 0 3 328.460 3.144 10 10 EGCEHN COc1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c([O-])c1 ZINC000092644847 1292881610 /nfs/dbraw/zinc/88/16/10/1292881610.db2.gz UORYKFNASLHWEB-UHFFFAOYSA-N 0 3 346.471 3.062 10 10 EGCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000929753632 1328688321 /nfs/dbraw/zinc/68/83/21/1328688321.db2.gz SYOCLHUYDZEXLI-FPOVZHCZSA-N 0 3 343.467 3.479 10 10 EGCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000929753632 1328688327 /nfs/dbraw/zinc/68/83/27/1328688327.db2.gz SYOCLHUYDZEXLI-FPOVZHCZSA-N 0 3 343.467 3.479 10 10 EGCEHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000858470350 1328770654 /nfs/dbraw/zinc/77/06/54/1328770654.db2.gz YVEXQXTXVALCOL-JBACZVJFSA-N 0 3 341.451 3.196 10 10 EGCEHN COC(=O)[C@H](C)Oc1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000922328959 1322502748 /nfs/dbraw/zinc/50/27/48/1322502748.db2.gz KHNQXJMVOJVRQC-KBPBESRZSA-N 0 3 329.396 3.183 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1[O-] ZINC000862529870 1329492632 /nfs/dbraw/zinc/49/26/32/1329492632.db2.gz QNVRGVIXVVDGBU-UONOGXRCSA-N 0 3 326.234 3.120 10 10 EGCEHN COc1ccc(N2CC[C@@H](NCc3cnc(Cl)c(F)c3)C2)cc1 ZINC000865622384 1329721677 /nfs/dbraw/zinc/72/16/77/1329721677.db2.gz UIISZJAPBJOBRH-CYBMUJFWSA-N 0 3 335.810 3.251 10 10 EGCEHN CC[C@H]([NH2+]Cc1ccc(CN2CCNC2=O)cc1)c1ccccc1[O-] ZINC000866575727 1330129083 /nfs/dbraw/zinc/12/90/83/1330129083.db2.gz COXMZWSBVVSHRK-SFHVURJKSA-N 0 3 339.439 3.158 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)CC2)cc1C ZINC001323480940 1387374764 /nfs/dbraw/zinc/37/47/64/1387374764.db2.gz XLKGIBSQRLRPBP-SQNIBIBYSA-N 0 3 342.483 3.178 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)CC2CCCCC2)N(C)C)cc1 ZINC001134882598 1376765732 /nfs/dbraw/zinc/76/57/32/1376765732.db2.gz RNUOMXICNSEHPX-LJQANCHMSA-N 0 3 331.504 3.442 10 10 EGCEHN CN(C)c1ccc(CN2C[C@H]3CCC[C@@H](C2)C3O)c(C(F)(F)F)c1 ZINC001321497726 1386917091 /nfs/dbraw/zinc/91/70/91/1386917091.db2.gz ZMXQUQWPRNMTNB-VMZNBEPHSA-N 0 3 342.405 3.364 10 10 EGCEHN O=c1cc[nH]c2cc(CNCc3ccc(N4CCCC4)cc3)ccc12 ZINC001331546428 1389794260 /nfs/dbraw/zinc/79/42/60/1389794260.db2.gz AYOIGKQTWDCDQB-UHFFFAOYSA-N 0 3 333.435 3.418 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)c2[nH]c(C)cc2C)cc1C ZINC001732868237 1429018632 /nfs/dbraw/zinc/01/86/32/1429018632.db2.gz LNXDOBOOFHILHN-AATRIKPKSA-N 0 3 341.455 3.024 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)c3ccsc3C)CC2)cc1C ZINC001723514142 1424447028 /nfs/dbraw/zinc/44/70/28/1424447028.db2.gz FPHDOKTUDIBZIJ-UHFFFAOYSA-N 0 3 344.480 3.426 10 10 EGCEHN Cc1cc(CNCc2cn(C)nc2-c2ccncc2)ccc1N(C)C ZINC000072289940 454286875 /nfs/dbraw/zinc/28/68/75/454286875.db2.gz LEYBSDJNFQBJNJ-UHFFFAOYSA-N 0 3 335.455 3.146 10 10 EGCEHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c([O-])c1 ZINC000184728583 455437254 /nfs/dbraw/zinc/43/72/54/455437254.db2.gz LPUBVVQPFNWHDW-INIZCTEOSA-N 0 3 343.471 3.369 10 10 EGCEHN CCCOc1ccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c([O-])c1 ZINC000184728583 455437260 /nfs/dbraw/zinc/43/72/60/455437260.db2.gz LPUBVVQPFNWHDW-INIZCTEOSA-N 0 3 343.471 3.369 10 10 EGCEHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1 ZINC000179989222 455111866 /nfs/dbraw/zinc/11/18/66/455111866.db2.gz HIPWOBZKRVIDQV-OAHLLOKOSA-N 0 3 327.428 3.038 10 10 EGCEHN COc1ccc([O-])c(C[N@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1 ZINC000179989222 455111871 /nfs/dbraw/zinc/11/18/71/455111871.db2.gz HIPWOBZKRVIDQV-OAHLLOKOSA-N 0 3 327.428 3.038 10 10 EGCEHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000180594741 455204176 /nfs/dbraw/zinc/20/41/76/455204176.db2.gz ZJKQXFWDSLSHMH-ZBFHGGJFSA-N 0 3 343.450 3.073 10 10 EGCEHN COc1cc(Cl)cc(CN2CC[C@@H](Oc3cccnc3)C2)c1O ZINC000184699239 455430339 /nfs/dbraw/zinc/43/03/39/455430339.db2.gz LGXLETPQWOJZLV-OAHLLOKOSA-N 0 3 334.803 3.103 10 10 EGCEHN COc1cc(Cl)cc(CN2CCCN(c3ccccn3)CC2)c1O ZINC000184809040 455451176 /nfs/dbraw/zinc/45/11/76/455451176.db2.gz BTCAYUCPRSXLAE-UHFFFAOYSA-N 0 3 347.846 3.162 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000184884827 455466890 /nfs/dbraw/zinc/46/68/90/455466890.db2.gz YETLOGCYWVAXQZ-KBPBESRZSA-N 0 3 338.411 3.393 10 10 EGCEHN C[C@H](N[C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N2CCCCC2)cc1 ZINC000284278465 455661658 /nfs/dbraw/zinc/66/16/58/455661658.db2.gz HJWLNPVGKWDDQX-QRFRQXIXSA-N 0 3 348.531 3.486 10 10 EGCEHN Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc(Br)ccc2[O-])n[nH]1 ZINC000186130454 455699369 /nfs/dbraw/zinc/69/93/69/455699369.db2.gz OYIXOTVWKQHLHG-GXSJLCMTSA-N 0 3 338.249 3.468 10 10 EGCEHN CN1C[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CCC1=O ZINC000293785142 455797557 /nfs/dbraw/zinc/79/75/57/455797557.db2.gz QJXDRPSFAVZPBG-PKOBYXMFSA-N 0 3 338.451 3.277 10 10 EGCEHN C[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cc2c(cc1[O-])CCCC2 ZINC000278899956 455852316 /nfs/dbraw/zinc/85/23/16/455852316.db2.gz FRMUXUGUSITSIU-HUUCEWRRSA-N 0 3 325.456 3.381 10 10 EGCEHN C[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cc2c(cc1[O-])CCCC2 ZINC000278899960 455853166 /nfs/dbraw/zinc/85/31/66/455853166.db2.gz FRMUXUGUSITSIU-LSDHHAIUSA-N 0 3 325.456 3.381 10 10 EGCEHN CC[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280001730 455880294 /nfs/dbraw/zinc/88/02/94/455880294.db2.gz FZTKKLFCCFUCMY-QGZVFWFLSA-N 0 3 333.453 3.215 10 10 EGCEHN COc1cccc2c1CC[N@H+](Cc1cc(OC)c(OC)cc1[O-])CC2 ZINC000195387007 455954208 /nfs/dbraw/zinc/95/42/08/455954208.db2.gz JVZXEGQTQMPURF-UHFFFAOYSA-N 0 3 343.423 3.019 10 10 EGCEHN COc1cccc2c1CC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])CC2 ZINC000195387007 455954210 /nfs/dbraw/zinc/95/42/10/455954210.db2.gz JVZXEGQTQMPURF-UHFFFAOYSA-N 0 3 343.423 3.019 10 10 EGCEHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000189051127 456211959 /nfs/dbraw/zinc/21/19/59/456211959.db2.gz XCQJMPZRNNMMRP-KDOFPFPSSA-N 0 3 342.414 3.291 10 10 EGCEHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000189051089 456212811 /nfs/dbraw/zinc/21/28/11/456212811.db2.gz XCQJMPZRNNMMRP-RDTXWAMCSA-N 0 3 342.414 3.291 10 10 EGCEHN Cc1cc([O-])c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1C ZINC000373905543 457393097 /nfs/dbraw/zinc/39/30/97/457393097.db2.gz QGSAXSOIQWVXEX-AEFFLSMTSA-N 0 3 330.472 3.280 10 10 EGCEHN Cc1ccnc(C2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000363873173 457459648 /nfs/dbraw/zinc/45/96/48/457459648.db2.gz BISQWVJHGSKYKF-UHFFFAOYSA-N 0 3 328.435 3.370 10 10 EGCEHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000375033631 457763632 /nfs/dbraw/zinc/76/36/32/457763632.db2.gz AQHCMZNAKUQNLC-IBGZPJMESA-N 0 3 331.387 3.024 10 10 EGCEHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000375033631 457763639 /nfs/dbraw/zinc/76/36/39/457763639.db2.gz AQHCMZNAKUQNLC-IBGZPJMESA-N 0 3 331.387 3.024 10 10 EGCEHN CCN(CC)c1ccc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1F ZINC000362337774 458112786 /nfs/dbraw/zinc/11/27/86/458112786.db2.gz XTPJXMKWHSJHPO-FUHWJXTLSA-N 0 3 347.478 3.163 10 10 EGCEHN Cc1cc(Br)cc([C@H](C)N[C@@H]2CC[NH2+]C23CCC3)c1[O-] ZINC000530217251 458720513 /nfs/dbraw/zinc/72/05/13/458720513.db2.gz SJPAETLHJXJWTF-SMDDNHRTSA-N 0 3 339.277 3.398 10 10 EGCEHN CCc1nc(NC(=O)CN[C@H](C)c2cc(OC)ccc2O)sc1C ZINC000182439788 1295047144 /nfs/dbraw/zinc/04/71/44/1295047144.db2.gz CCDCEEONCSBSLB-SNVBAGLBSA-N 0 3 349.456 3.017 10 10 EGCEHN CCOC(=O)c1csc(CC[NH2+][C@H](CC)c2ccccc2[O-])n1 ZINC000191550493 1295690094 /nfs/dbraw/zinc/69/00/94/1295690094.db2.gz NXVNGTFKRHFTAI-CYBMUJFWSA-N 0 3 334.441 3.309 10 10 EGCEHN [O-]c1ccc(Br)cc1CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000236615011 1296192041 /nfs/dbraw/zinc/19/20/41/1296192041.db2.gz ZAMCTEVOGBRTMX-INIZCTEOSA-N 0 3 339.277 3.120 10 10 EGCEHN CO[C@H]1C[C@H](C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000895539877 1309391461 /nfs/dbraw/zinc/39/14/61/1309391461.db2.gz KCFVXGRCXIGIFR-RUCARUNLSA-N 0 3 327.424 3.486 10 10 EGCEHN CCCN(CCN1CCCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897735725 1310448855 /nfs/dbraw/zinc/44/88/55/1310448855.db2.gz RVGKPKSGRLCFET-UHFFFAOYSA-N 0 3 348.468 3.261 10 10 EGCEHN CN(C)c1cc(F)c(CNCCCNC(=O)OC(C)(C)C)cc1F ZINC000858125670 1328689114 /nfs/dbraw/zinc/68/91/14/1328689114.db2.gz KCMXIPVVVADBJN-UHFFFAOYSA-N 0 3 343.418 3.035 10 10 EGCEHN COc1ccc(N2CC[C@H](NCc3nccc4c3CCCC4)C2)cc1 ZINC000922237626 1322485135 /nfs/dbraw/zinc/48/51/35/1322485135.db2.gz LWFGIXFSXVRTKJ-KRWDZBQOSA-N 0 3 337.467 3.338 10 10 EGCEHN CN(C)c1cc(F)c(CNCC[C@@H](N(C)C)C(F)(F)F)cc1F ZINC000922751131 1322609617 /nfs/dbraw/zinc/60/96/17/1322609617.db2.gz LYAXLSYYHDABME-CQSZACIVSA-N 0 3 339.352 3.003 10 10 EGCEHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)O2)c2c1c(F)ccc2[O-] ZINC000927013018 1327819781 /nfs/dbraw/zinc/81/97/81/1327819781.db2.gz JCWPEZQBRWXDRS-NFAWXSAZSA-N 0 3 335.419 3.397 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1[O-] ZINC000862529871 1329492673 /nfs/dbraw/zinc/49/26/73/1329492673.db2.gz QNVRGVIXVVDGBU-ZIAGYGMSSA-N 0 3 326.234 3.120 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)c2cc(C)cs2)cc1C ZINC001321051762 1386795097 /nfs/dbraw/zinc/79/50/97/1386795097.db2.gz BGACXXHVQVDBSW-SNAWJCMRSA-N 0 3 344.480 3.449 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)c3ccc(Cl)[nH]3)CC2)cc1C ZINC001716693585 1420846506 /nfs/dbraw/zinc/84/65/06/1420846506.db2.gz WSMGLENHQACXSG-UHFFFAOYSA-N 0 3 347.846 3.037 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000180423172 455166495 /nfs/dbraw/zinc/16/64/95/455166495.db2.gz BMOCPKVQVTXNQC-IUODEOHRSA-N 0 3 341.293 3.378 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000180423172 455166500 /nfs/dbraw/zinc/16/65/00/455166500.db2.gz BMOCPKVQVTXNQC-IUODEOHRSA-N 0 3 341.293 3.378 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000180728193 455234797 /nfs/dbraw/zinc/23/47/97/455234797.db2.gz QQROPMZVNSGDAB-GUYCJALGSA-N 0 3 349.862 3.033 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c1[O-] ZINC000180728193 455234802 /nfs/dbraw/zinc/23/48/02/455234802.db2.gz QQROPMZVNSGDAB-GUYCJALGSA-N 0 3 349.862 3.033 10 10 EGCEHN C[C@H](N[C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000159076695 455349836 /nfs/dbraw/zinc/34/98/36/455349836.db2.gz GJTGGTKTLMHUSN-OXJNMPFZSA-N 0 3 339.483 3.103 10 10 EGCEHN COc1ccc(CN[C@H](C)c2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000071825380 454225874 /nfs/dbraw/zinc/22/58/74/454225874.db2.gz DQIINXNHBWIGNH-QGZVFWFLSA-N 0 3 339.483 3.298 10 10 EGCEHN CCCN(CCC)c1ccc(CN2CCC(C(=O)NC)CC2)cc1 ZINC000179826050 455085751 /nfs/dbraw/zinc/08/57/51/455085751.db2.gz BERVWNLTAVFBEN-UHFFFAOYSA-N 0 3 331.504 3.271 10 10 EGCEHN Cc1cc(Cl)cc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c1[O-] ZINC000180280716 455154491 /nfs/dbraw/zinc/15/44/91/455154491.db2.gz LBQQUQYJUODALP-KRWDZBQOSA-N 0 3 349.862 3.033 10 10 EGCEHN COc1cc(O)c(CN2CCCC[C@@H]2c2cccn2C)cc1OC ZINC000180638310 455215098 /nfs/dbraw/zinc/21/50/98/455215098.db2.gz VNAHXJKVIAYEKQ-MRXNPFEDSA-N 0 3 330.428 3.475 10 10 EGCEHN COc1cc([O-])c(C[NH+]2CCC(C3CCOCC3)CC2)cc1OC ZINC000160478643 455464560 /nfs/dbraw/zinc/46/45/60/455464560.db2.gz FEDOBZUUEOIZCS-UHFFFAOYSA-N 0 3 335.444 3.048 10 10 EGCEHN CCc1nccn1[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000175653125 455477261 /nfs/dbraw/zinc/47/72/61/455477261.db2.gz AOPUMNUKXKRPRP-MRXNPFEDSA-N 0 3 345.418 3.330 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3ccc(C)cn3)CC2)c1 ZINC000185539496 455576009 /nfs/dbraw/zinc/57/60/09/455576009.db2.gz ZTWXAPQZDGWCNJ-HNNXBMFYSA-N 0 3 341.455 3.424 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000186188975 455712092 /nfs/dbraw/zinc/71/20/92/455712092.db2.gz XLQXMUSSKWUIDE-BOUXLOLZSA-N 0 3 326.440 3.497 10 10 EGCEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]12 ZINC000248558651 455719814 /nfs/dbraw/zinc/71/98/14/455719814.db2.gz AJZRTICHVCQBQP-FVQBIDKESA-N 0 3 332.444 3.127 10 10 EGCEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]12 ZINC000248558651 455719821 /nfs/dbraw/zinc/71/98/21/455719821.db2.gz AJZRTICHVCQBQP-FVQBIDKESA-N 0 3 332.444 3.127 10 10 EGCEHN CCCCCC(=O)NC1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000271695026 455725291 /nfs/dbraw/zinc/72/52/91/455725291.db2.gz APWCNUKFCZNRHD-UHFFFAOYSA-N 0 3 334.460 3.062 10 10 EGCEHN CC[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccccc1[O-] ZINC000186413542 455762792 /nfs/dbraw/zinc/76/27/92/455762792.db2.gz QZUDLEQYLJJMLM-QGZVFWFLSA-N 0 3 345.418 3.004 10 10 EGCEHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)CC2 ZINC000296234231 455887978 /nfs/dbraw/zinc/88/79/78/455887978.db2.gz APDUOQYHHDZLMO-LSDHHAIUSA-N 0 3 348.240 3.465 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c([O-])c1C ZINC000273582580 456239109 /nfs/dbraw/zinc/23/91/09/456239109.db2.gz NBNCADDSRVBGPY-LPHOPBHVSA-N 0 3 340.467 3.359 10 10 EGCEHN Cc1ccc([C@H](C)N[C@@H](Cc2ccccc2)C(=O)N(C)C)c(O)c1C ZINC000273582580 456239113 /nfs/dbraw/zinc/23/91/13/456239113.db2.gz NBNCADDSRVBGPY-LPHOPBHVSA-N 0 3 340.467 3.359 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1[O-] ZINC000283115612 456713571 /nfs/dbraw/zinc/71/35/71/456713571.db2.gz UVCKIVGBQXCXIM-SUMWQHHRSA-N 0 3 339.863 3.011 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000364769737 457690559 /nfs/dbraw/zinc/69/05/59/457690559.db2.gz LZIJQEVPNAXXIV-UKRRQHHQSA-N 0 3 329.444 3.386 10 10 EGCEHN COc1cc(O)c(CN2CCC(c3ccccn3)CC2)cc1OC ZINC000371366940 457886192 /nfs/dbraw/zinc/88/61/92/457886192.db2.gz QPZBSPCLGNDOIK-UHFFFAOYSA-N 0 3 328.412 3.184 10 10 EGCEHN COc1cc([O-])c(C[NH+]2CCC(c3ccccn3)CC2)cc1OC ZINC000371366940 457886195 /nfs/dbraw/zinc/88/61/95/457886195.db2.gz QPZBSPCLGNDOIK-UHFFFAOYSA-N 0 3 328.412 3.184 10 10 EGCEHN C[C@@H](Cn1cncn1)NCc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000367539530 457960453 /nfs/dbraw/zinc/96/04/53/457960453.db2.gz AXCAXJCPRUSVEM-KRWDZBQOSA-N 0 3 347.466 3.019 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+]CC[C@H]2CCCOC2)c1[O-] ZINC000529637248 459831843 /nfs/dbraw/zinc/83/18/43/459831843.db2.gz QOCBUPSOZBHKSO-GFCCVEGCSA-N 0 3 328.250 3.369 10 10 EGCEHN CC(C)(C)OC(=O)C1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000727427157 574666478 /nfs/dbraw/zinc/66/64/78/574666478.db2.gz IUPVXIHOVYLKBS-UHFFFAOYSA-N 0 3 331.456 3.435 10 10 EGCEHN CC(C)(C)OC(=O)C1CC[NH+](Cc2cc3c(cc2[O-])CCC3)CC1 ZINC000727427157 574666479 /nfs/dbraw/zinc/66/64/79/574666479.db2.gz IUPVXIHOVYLKBS-UHFFFAOYSA-N 0 3 331.456 3.435 10 10 EGCEHN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]2CN(C)C)cc1 ZINC000727759347 574688867 /nfs/dbraw/zinc/68/88/67/574688867.db2.gz YLMXMJLEDLEAHZ-LJQANCHMSA-N 0 3 325.456 3.260 10 10 EGCEHN CCN(CC)c1ccc(CN[C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000731678725 575199735 /nfs/dbraw/zinc/19/97/35/575199735.db2.gz JJXJXXPQAXMFRK-FQEVSTJZSA-N 0 3 337.467 3.428 10 10 EGCEHN COc1ccc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)c([O-])c1 ZINC000119332316 1293265050 /nfs/dbraw/zinc/26/50/50/1293265050.db2.gz GZQUIOOFWOGBJW-UHFFFAOYSA-N 0 3 340.467 3.497 10 10 EGCEHN COc1ccc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)c([O-])c1 ZINC000119332316 1293265057 /nfs/dbraw/zinc/26/50/57/1293265057.db2.gz GZQUIOOFWOGBJW-UHFFFAOYSA-N 0 3 340.467 3.497 10 10 EGCEHN COC(=O)c1c(CN[C@H]2CS[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894993413 1309147498 /nfs/dbraw/zinc/14/74/98/1309147498.db2.gz RUUBLWBJYUBHOV-CMPLNLGQSA-N 0 3 336.432 3.088 10 10 EGCEHN COc1ccc(N2CC[C@@H](NCc3nccc4c3CCCC4)C2)cc1 ZINC000922237628 1322485129 /nfs/dbraw/zinc/48/51/29/1322485129.db2.gz LWFGIXFSXVRTKJ-QGZVFWFLSA-N 0 3 337.467 3.338 10 10 EGCEHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccnn1C1CCC1 ZINC000924753631 1323144966 /nfs/dbraw/zinc/14/49/66/1323144966.db2.gz ZHZSQXIAEHPCAX-INIZCTEOSA-N 0 3 340.471 3.296 10 10 EGCEHN COc1ccc(N2CC[C@H](CN[C@@H]3CCCc4oc(C)nc43)C2)cc1 ZINC000926610500 1327634479 /nfs/dbraw/zinc/63/44/79/1327634479.db2.gz DTVVTXGCDUYOHL-CRAIPNDOSA-N 0 3 341.455 3.485 10 10 EGCEHN CN(C)c1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)c(C(F)(F)F)c1 ZINC000862528738 1329492578 /nfs/dbraw/zinc/49/25/78/1329492578.db2.gz HWEVCNVCPZUWFR-WMLDXEAASA-N 0 3 342.405 3.366 10 10 EGCEHN CC[C@@H]([NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1)c1ccccc1[O-] ZINC000866526971 1330121751 /nfs/dbraw/zinc/12/17/51/1330121751.db2.gz RQUSOGVAYIGRQN-QGZVFWFLSA-N 0 3 348.487 3.239 10 10 EGCEHN C[C@@H](NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C(C)(C)C ZINC001687807813 1396498898 /nfs/dbraw/zinc/49/88/98/1396498898.db2.gz WBVVQJFYZFSAHW-RHSMWYFYSA-N 0 3 334.508 3.089 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)c2ccc(Cl)[nH]2)cc1C ZINC001715865615 1420373347 /nfs/dbraw/zinc/37/33/47/1420373347.db2.gz IPXNPTRNZAKTJC-ARJAWSKDSA-N 0 3 347.846 3.061 10 10 EGCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000180667285 455222858 /nfs/dbraw/zinc/22/28/58/455222858.db2.gz IJEHCCOOSZPCJL-XLIONFOSSA-N 0 3 327.424 3.489 10 10 EGCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000180667285 455222861 /nfs/dbraw/zinc/22/28/61/455222861.db2.gz IJEHCCOOSZPCJL-XLIONFOSSA-N 0 3 327.424 3.489 10 10 EGCEHN Cc1cc(CNCc2ccc(N3CCOCC3)cc2)cc(C)c1O ZINC000067222312 453911658 /nfs/dbraw/zinc/91/16/58/453911658.db2.gz FDYKCFOSTBCXDU-UHFFFAOYSA-N 0 3 326.440 3.135 10 10 EGCEHN Cc1ccc(CN[C@H](C)c2ccc(N3CCN(C)CC3)c(F)c2)o1 ZINC000071825364 454226157 /nfs/dbraw/zinc/22/61/57/454226157.db2.gz UJHZCIPBAINJKB-OAHLLOKOSA-N 0 3 331.435 3.330 10 10 EGCEHN Cc1ccc([O-])c(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)c1 ZINC000121740414 454471628 /nfs/dbraw/zinc/47/16/28/454471628.db2.gz BSIIHGBOPMWBRQ-QGZVFWFLSA-N 0 3 346.496 3.267 10 10 EGCEHN Cc1ccc([O-])c(C[N@@H+](C)C[C@H](c2cccs2)N2CCOCC2)c1 ZINC000121740414 454471633 /nfs/dbraw/zinc/47/16/33/454471633.db2.gz BSIIHGBOPMWBRQ-QGZVFWFLSA-N 0 3 346.496 3.267 10 10 EGCEHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000092812856 454638642 /nfs/dbraw/zinc/63/86/42/454638642.db2.gz IQFOZTORZPUPIG-HNNXBMFYSA-N 0 3 327.428 3.120 10 10 EGCEHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000092812856 454638648 /nfs/dbraw/zinc/63/86/48/454638648.db2.gz IQFOZTORZPUPIG-HNNXBMFYSA-N 0 3 327.428 3.120 10 10 EGCEHN COc1cc([O-])c(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1OC ZINC000179949987 455104250 /nfs/dbraw/zinc/10/42/50/455104250.db2.gz GRGYOCJFDKRTPG-INIZCTEOSA-N 0 3 328.412 3.096 10 10 EGCEHN COc1cc([O-])c(C[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1OC ZINC000179949987 455104251 /nfs/dbraw/zinc/10/42/51/455104251.db2.gz GRGYOCJFDKRTPG-INIZCTEOSA-N 0 3 328.412 3.096 10 10 EGCEHN COc1cc(O)c(CN2CC[C@H](Nc3ccccc3)C2)cc1OC ZINC000179949987 455104252 /nfs/dbraw/zinc/10/42/52/455104252.db2.gz GRGYOCJFDKRTPG-INIZCTEOSA-N 0 3 328.412 3.096 10 10 EGCEHN CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000284178491 455647396 /nfs/dbraw/zinc/64/73/96/455647396.db2.gz XLOVZIISVLYUBX-AZUAARDMSA-N 0 3 343.467 3.307 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1[O-] ZINC000373898236 457389714 /nfs/dbraw/zinc/38/97/14/457389714.db2.gz NFNFISFJKMLTKZ-SMDDNHRTSA-N 0 3 326.234 3.074 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1[O-] ZINC000373898236 457389728 /nfs/dbraw/zinc/38/97/28/457389728.db2.gz NFNFISFJKMLTKZ-SMDDNHRTSA-N 0 3 326.234 3.074 10 10 EGCEHN CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3c[nH]cn3)CC2)c1[O-] ZINC000374208033 457523016 /nfs/dbraw/zinc/52/30/16/457523016.db2.gz KRJOZWAQFTUXNP-UHFFFAOYSA-N 0 3 333.819 3.351 10 10 EGCEHN Cc1cc(Cl)cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1[O-] ZINC000374912275 457733764 /nfs/dbraw/zinc/73/37/64/457733764.db2.gz NWRUJBUBQDHFMD-CQSZACIVSA-N 0 3 339.863 3.372 10 10 EGCEHN CCOc1ccc([O-])c(C[NH2+]C[C@]2(C)COc3ccccc3O2)c1 ZINC000527737328 459719891 /nfs/dbraw/zinc/71/98/91/459719891.db2.gz UKKJGACOPXFJIH-LJQANCHMSA-N 0 3 329.396 3.111 10 10 EGCEHN COc1cc(O)c(CN[C@H](c2ccccn2)C2CCC2)cc1OC ZINC000529643981 459831797 /nfs/dbraw/zinc/83/17/97/459831797.db2.gz MXFZWLWRGWPEHV-IBGZPJMESA-N 0 3 328.412 3.435 10 10 EGCEHN CN(C)CCn1cc(NCc2cc(-c3ccccc3)ccc2O)cn1 ZINC000727470558 574669751 /nfs/dbraw/zinc/66/97/51/574669751.db2.gz BTLTYNZDTIQQHN-UHFFFAOYSA-N 0 3 336.439 3.429 10 10 EGCEHN CCCN1CCC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731015867 575044608 /nfs/dbraw/zinc/04/46/08/575044608.db2.gz KUBPSHZVPNLVPZ-FQEVSTJZSA-N 0 3 343.515 3.414 10 10 EGCEHN Cn1ccnc1C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000742387052 576777581 /nfs/dbraw/zinc/77/75/81/576777581.db2.gz CWXYHBDWLLVUIF-IBGZPJMESA-N 0 3 333.435 3.429 10 10 EGCEHN C[N@@H+]1CCC[C@H](CNC(=O)c2cc([O-])cs2)[C@@H]1c1cccs1 ZINC000743567313 576812291 /nfs/dbraw/zinc/81/22/91/576812291.db2.gz OUULBIOEZSYBRY-IAQYHMDHSA-N 0 3 336.482 3.328 10 10 EGCEHN C[N@H+]1CCC[C@H](CNC(=O)c2cc([O-])cs2)[C@@H]1c1cccs1 ZINC000743567313 576812292 /nfs/dbraw/zinc/81/22/92/576812292.db2.gz OUULBIOEZSYBRY-IAQYHMDHSA-N 0 3 336.482 3.328 10 10 EGCEHN Cc1cc(Br)cc(CN2CC[C@H](OC(C)C)C2)c1O ZINC000706558754 1298221581 /nfs/dbraw/zinc/22/15/81/1298221581.db2.gz ZVLAIQIRPGXILI-AWEZNQCLSA-N 0 3 328.250 3.462 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](OC(C)C)C2)c1[O-] ZINC000706558754 1298221589 /nfs/dbraw/zinc/22/15/89/1298221589.db2.gz ZVLAIQIRPGXILI-AWEZNQCLSA-N 0 3 328.250 3.462 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](OC(C)C)C2)c1[O-] ZINC000706558754 1298221599 /nfs/dbraw/zinc/22/15/99/1298221599.db2.gz ZVLAIQIRPGXILI-AWEZNQCLSA-N 0 3 328.250 3.462 10 10 EGCEHN [NH3+]CCN(Cc1ccccc1)Cc1c([O-])cccc1Br ZINC000706833721 1298222431 /nfs/dbraw/zinc/22/24/31/1298222431.db2.gz CFLKYNJJJDLHER-UHFFFAOYSA-N 0 3 335.245 3.116 10 10 EGCEHN CN(C)c1cc(F)c(CNCC2(O)CCC(F)(F)CC2)cc1F ZINC000858195419 1328709102 /nfs/dbraw/zinc/70/91/02/1328709102.db2.gz VYFPLQJDWAIFSL-UHFFFAOYSA-N 0 3 334.357 3.061 10 10 EGCEHN COC[C@@]1(C)CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000862552344 1329496089 /nfs/dbraw/zinc/49/60/89/1329496089.db2.gz WUFXSSGHWNRYEF-HXUWFJFHSA-N 0 3 327.424 3.297 10 10 EGCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@H](OC)C2)c1[O-] ZINC001332947336 1390221396 /nfs/dbraw/zinc/22/13/96/1390221396.db2.gz WVJVAHFWIVDMHU-WCQGTBRESA-N 0 3 344.249 3.381 10 10 EGCEHN CCC1(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CCCC1 ZINC001134883209 1376766707 /nfs/dbraw/zinc/76/67/07/1376766707.db2.gz ZFWMISOOIQCILY-GOSISDBHSA-N 0 3 331.504 3.442 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)C2(F)CCCCC2)cc1C ZINC001699331176 1412643423 /nfs/dbraw/zinc/64/34/23/1412643423.db2.gz OXZKYVTXDSVEDO-VOTSOKGWSA-N 0 3 348.462 3.438 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)c2sccc2C)cc1C ZINC001732816073 1428992760 /nfs/dbraw/zinc/99/27/60/1428992760.db2.gz GTMYDTNPCCUYSA-SNAWJCMRSA-N 0 3 344.480 3.449 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@@H]3C[C@]3(C)C(C)C)CC2)cc1C ZINC001733257312 1429408607 /nfs/dbraw/zinc/40/86/07/1429408607.db2.gz KJBMDNYJVTUZEE-FXAWDEMLSA-N 0 3 344.499 3.424 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)CCC(C)(F)F)CC2)cc1C ZINC001716685507 1420838955 /nfs/dbraw/zinc/83/89/55/1420838955.db2.gz DGGNYTKJQZPFAC-UHFFFAOYSA-N 0 3 340.414 3.177 10 10 EGCEHN COc1ccc(CNCc2ccc(F)cc2)cc1Cn1ccnc1 ZINC000009740740 211120771 /nfs/dbraw/zinc/12/07/71/211120771.db2.gz DFFKSSKZMLWTPS-UHFFFAOYSA-N 0 3 325.387 3.369 10 10 EGCEHN COc1cc(Cl)cc(C[NH2+]C[C@]2(C)COc3ccccc3O2)c1[O-] ZINC000529637067 313375548 /nfs/dbraw/zinc/37/55/48/313375548.db2.gz NGUKPDVTCWRVOY-GOSISDBHSA-N 0 3 349.814 3.374 10 10 EGCEHN CN(CCCC(=O)OC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000131053897 454233075 /nfs/dbraw/zinc/23/30/75/454233075.db2.gz OZBFEMATMGILJO-UHFFFAOYSA-N 0 3 348.487 3.077 10 10 EGCEHN CCCOc1ccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c([O-])c1 ZINC000184728560 455437466 /nfs/dbraw/zinc/43/74/66/455437466.db2.gz LPUBVVQPFNWHDW-MRXNPFEDSA-N 0 3 343.471 3.369 10 10 EGCEHN CCCOc1ccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c([O-])c1 ZINC000184728560 455437468 /nfs/dbraw/zinc/43/74/68/455437468.db2.gz LPUBVVQPFNWHDW-MRXNPFEDSA-N 0 3 343.471 3.369 10 10 EGCEHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000179989206 455112407 /nfs/dbraw/zinc/11/24/07/455112407.db2.gz HIPWOBZKRVIDQV-HNNXBMFYSA-N 0 3 327.428 3.038 10 10 EGCEHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000179989206 455112410 /nfs/dbraw/zinc/11/24/10/455112410.db2.gz HIPWOBZKRVIDQV-HNNXBMFYSA-N 0 3 327.428 3.038 10 10 EGCEHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000192356076 455595342 /nfs/dbraw/zinc/59/53/42/455595342.db2.gz IIZXRXCYOSNIMG-FQEVSTJZSA-N 0 3 340.467 3.081 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000185718539 455604807 /nfs/dbraw/zinc/60/48/07/455604807.db2.gz CLQVMGMRXQLNRW-STQMWFEESA-N 0 3 347.846 3.379 10 10 EGCEHN Cc1cc(CN[C@H](C)c2ccc(-n3cncn3)cc2)ccc1N(C)C ZINC000271419851 455630059 /nfs/dbraw/zinc/63/00/59/455630059.db2.gz AAQSCILYJHGXCI-MRXNPFEDSA-N 0 3 335.455 3.493 10 10 EGCEHN CC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(C)cc1[O-] ZINC000279966097 455878837 /nfs/dbraw/zinc/87/88/37/455878837.db2.gz CPNJTBCKZISDKL-RBUKOAKNSA-N 0 3 340.467 3.441 10 10 EGCEHN O=C(c1ccccc1)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000296214860 455882295 /nfs/dbraw/zinc/88/22/95/455882295.db2.gz ZPRPQPSESBBEIH-SFHVURJKSA-N 0 3 336.435 3.274 10 10 EGCEHN Cc1cnn(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])c1 ZINC000187313749 455894624 /nfs/dbraw/zinc/89/46/24/455894624.db2.gz RWIPDMJFTUXDJW-LBPRGKRZSA-N 0 3 338.249 3.319 10 10 EGCEHN C[C@H](Cn1cncn1)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296526828 455963503 /nfs/dbraw/zinc/96/35/03/455963503.db2.gz SJQXTGIYVWTKCC-OAHLLOKOSA-N 0 3 341.484 3.154 10 10 EGCEHN COc1cc(CN(C)Cc2cc(OC)c(OC)cc2O)cc(OC)c1 ZINC000271071046 456117880 /nfs/dbraw/zinc/11/78/80/456117880.db2.gz FELUJXAGJMRNMK-UHFFFAOYSA-N 0 3 347.411 3.059 10 10 EGCEHN Cc1ccc([O-])c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000277252089 456745751 /nfs/dbraw/zinc/74/57/51/456745751.db2.gz AGPYVFLRHKEWMD-ZBFHGGJFSA-N 0 3 334.460 3.436 10 10 EGCEHN CC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(C)cc1[O-] ZINC000283515708 456795202 /nfs/dbraw/zinc/79/52/02/456795202.db2.gz ZXPRANCVDSPETN-VDZJLULYSA-N 0 3 333.472 3.309 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000373868203 457376986 /nfs/dbraw/zinc/37/69/86/457376986.db2.gz RNQHOXXILMEJBE-XHSDSOJGSA-N 0 3 346.471 3.233 10 10 EGCEHN CCOc1cccc(CN2CC[C@H](OCc3c(C)noc3C)C2)c1O ZINC000370730503 457708863 /nfs/dbraw/zinc/70/88/63/457708863.db2.gz OOXQXEPISXOWDH-INIZCTEOSA-N 0 3 346.427 3.187 10 10 EGCEHN COc1cccc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c1[O-] ZINC000367039833 457924554 /nfs/dbraw/zinc/92/45/54/457924554.db2.gz AUIQEJCPIDONKA-UHFFFAOYSA-N 0 3 348.393 3.391 10 10 EGCEHN COc1cccc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c1[O-] ZINC000367039833 457924560 /nfs/dbraw/zinc/92/45/60/457924560.db2.gz AUIQEJCPIDONKA-UHFFFAOYSA-N 0 3 348.393 3.391 10 10 EGCEHN Cc1cc(Cl)cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1[O-] ZINC000367753760 457978676 /nfs/dbraw/zinc/97/86/76/457978676.db2.gz LCPJBGUFXJPFSQ-GVDBMIGSSA-N 0 3 338.879 3.038 10 10 EGCEHN O=C([C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2)N1CCCCC1 ZINC000371559140 457988734 /nfs/dbraw/zinc/98/87/34/457988734.db2.gz FOIYEJPJVIPSBK-QGZVFWFLSA-N 0 3 346.446 3.146 10 10 EGCEHN CCN(CC)c1ccc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1F ZINC000362337775 458112841 /nfs/dbraw/zinc/11/28/41/458112841.db2.gz XTPJXMKWHSJHPO-WMZOPIPTSA-N 0 3 347.478 3.163 10 10 EGCEHN C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1[O-] ZINC000530213607 458718364 /nfs/dbraw/zinc/71/83/64/458718364.db2.gz ATNIGUDISBYYFT-YGRLFVJLSA-N 0 3 325.250 3.090 10 10 EGCEHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c2c1c(F)ccc2[O-] ZINC000528008124 459794242 /nfs/dbraw/zinc/79/42/42/459794242.db2.gz WPTMLIFLUBHERX-HFBAOOFYSA-N 0 3 340.398 3.496 10 10 EGCEHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)c2c1c(F)ccc2[O-] ZINC000528008132 459795119 /nfs/dbraw/zinc/79/51/19/459795119.db2.gz WPTMLIFLUBHERX-XFBWCDHKSA-N 0 3 340.398 3.496 10 10 EGCEHN CCCN(C)CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000741212405 576666774 /nfs/dbraw/zinc/66/67/74/576666774.db2.gz OMLYTXGYPJDVQJ-UHFFFAOYSA-N 0 3 327.472 3.095 10 10 EGCEHN [NH3+]CCC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708098434 1298235214 /nfs/dbraw/zinc/23/52/14/1298235214.db2.gz IBSVOBVETBENQN-UHFFFAOYSA-N 0 3 347.684 3.369 10 10 EGCEHN COC(=O)c1c(CN[C@@H]2CS[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894993414 1309147930 /nfs/dbraw/zinc/14/79/30/1309147930.db2.gz RUUBLWBJYUBHOV-JQWIXIFHSA-N 0 3 336.432 3.088 10 10 EGCEHN COc1cc(Cl)cc(CN2CC(CC3CCOCC3)C2)c1O ZINC000895616782 1309430940 /nfs/dbraw/zinc/43/09/40/1309430940.db2.gz XZBCTLGUXPGYAN-UHFFFAOYSA-N 0 3 325.836 3.303 10 10 EGCEHN CCOC(=O)[C@@H]1C[C@H]1CN(Cc1ccco1)Cc1ccccc1O ZINC000929969806 1328752492 /nfs/dbraw/zinc/75/24/92/1328752492.db2.gz DHNWXWIHYVGQHD-DOTOQJQBSA-N 0 3 329.396 3.187 10 10 EGCEHN C[C@H]1C[C@@H]([NH2+]Cc2ccc3oc(=O)n(C)c3c2)c2c1c(F)ccc2[O-] ZINC000858539738 1328791193 /nfs/dbraw/zinc/79/11/93/1328791193.db2.gz KSCCKHITNRWXBI-GXFFZTMASA-N 0 3 342.370 3.314 10 10 EGCEHN Cc1cc(C(=O)N[C@H]2CCCN(C)C2)c(C)n1-c1cccc(C)c1 ZINC000918708027 1321980343 /nfs/dbraw/zinc/98/03/43/1321980343.db2.gz HNTWESSOHXYLTJ-KRWDZBQOSA-N 0 3 325.456 3.227 10 10 EGCEHN CC1CCN(c2ccc(CNCc3c4c(nn3C)CCC4)cc2)CC1 ZINC000921718007 1322384145 /nfs/dbraw/zinc/38/41/45/1322384145.db2.gz SMOKXVPNRJMGDY-UHFFFAOYSA-N 0 3 338.499 3.435 10 10 EGCEHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cnn(C2CCC2)c1 ZINC000924750773 1323145697 /nfs/dbraw/zinc/14/56/97/1323145697.db2.gz PQJPAKLRUTXVEA-MRXNPFEDSA-N 0 3 340.471 3.296 10 10 EGCEHN COc1ccc(N2CC[C@H](N[C@@H](C)c3cn4c(n3)CCCC4)C2)cc1 ZINC000926680598 1327664610 /nfs/dbraw/zinc/66/46/10/1327664610.db2.gz PTXYQZDFGIITPF-HOTGVXAUSA-N 0 3 340.471 3.158 10 10 EGCEHN C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccccc1[O-] ZINC001197003889 1368729828 /nfs/dbraw/zinc/72/98/28/1368729828.db2.gz LVOOUHFAFXUXPO-CXAGYDPISA-N 0 3 328.387 3.378 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)C2CCC3(CC3)CC2)N(C)C)cc1 ZINC001134882212 1376765562 /nfs/dbraw/zinc/76/55/62/1376765562.db2.gz MKBLRZUCIQOGDE-IBGZPJMESA-N 0 3 343.515 3.442 10 10 EGCEHN CC[C@@H]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134881621 1376765624 /nfs/dbraw/zinc/76/56/24/1376765624.db2.gz BGOPKDBTGCGSRF-AYOQOUSVSA-N 0 3 331.504 3.298 10 10 EGCEHN CCCN(CC(=O)N(CCC)CC(F)(F)F)Cc1ccccc1O ZINC001328757039 1388846224 /nfs/dbraw/zinc/84/62/24/1388846224.db2.gz VEXXIEGIKTTZNA-UHFFFAOYSA-N 0 3 346.393 3.405 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)c2ccc(C)cc2)cc1C ZINC001497744797 1396819368 /nfs/dbraw/zinc/81/93/68/1396819368.db2.gz YUFHZIXGGGCACJ-PLNGDYQASA-N 0 3 338.451 3.388 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)c2oc(C)cc2C)cc1C ZINC001732838020 1429003694 /nfs/dbraw/zinc/00/36/94/1429003694.db2.gz IDYOCLVWJYZXBN-AATRIKPKSA-N 0 3 342.439 3.289 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)c2c(C)coc2C)cc1C ZINC001732850013 1429008849 /nfs/dbraw/zinc/00/88/49/1429008849.db2.gz YSPUSKMMDDLTRX-AATRIKPKSA-N 0 3 342.439 3.289 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)cc1C ZINC001716678746 1420833928 /nfs/dbraw/zinc/83/39/28/1420833928.db2.gz POTHDCDZZWGJIE-DZFIZOCASA-N 0 3 342.483 3.178 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@@H](C)C(C)(C)C)CC2)cc1C ZINC001716685792 1420839658 /nfs/dbraw/zinc/83/96/58/1420839658.db2.gz NAODUZLUNIMZEY-OAHLLOKOSA-N 0 3 332.488 3.424 10 10 EGCEHN CN(CCO)c1ccc(CN[C@H]2CCSc3ccccc32)cc1 ZINC000012542034 453369824 /nfs/dbraw/zinc/36/98/24/453369824.db2.gz KHXQPHFVQACZNX-SFHVURJKSA-N 0 3 328.481 3.442 10 10 EGCEHN COc1cccc(CN[C@@H](C)c2ccc(N3CCN(C)CC3)cc2)c1 ZINC000071825381 454226027 /nfs/dbraw/zinc/22/60/27/454226027.db2.gz GXHKGNBYDMALNE-KRWDZBQOSA-N 0 3 339.483 3.298 10 10 EGCEHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000092812855 454637422 /nfs/dbraw/zinc/63/74/22/454637422.db2.gz IQFOZTORZPUPIG-OAHLLOKOSA-N 0 3 327.428 3.120 10 10 EGCEHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000092812855 454637428 /nfs/dbraw/zinc/63/74/28/454637428.db2.gz IQFOZTORZPUPIG-OAHLLOKOSA-N 0 3 327.428 3.120 10 10 EGCEHN CCOc1cccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1[O-] ZINC000162644552 454790426 /nfs/dbraw/zinc/79/04/26/454790426.db2.gz IWNGCPKMAMRTKV-UHFFFAOYSA-N 0 3 346.471 3.015 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](Cc2ccccc2)CN(C)C)c1 ZINC000185091649 455500143 /nfs/dbraw/zinc/50/01/43/455500143.db2.gz KULYXGMYJHOHQE-NVXWUHKLSA-N 0 3 328.456 3.224 10 10 EGCEHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000156318963 455104059 /nfs/dbraw/zinc/10/40/59/455104059.db2.gz LMHCATWKPJOBLT-UHFFFAOYSA-N 0 3 334.423 3.048 10 10 EGCEHN [O-]c1ccc2ccccc2c1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000156318963 455104060 /nfs/dbraw/zinc/10/40/60/455104060.db2.gz LMHCATWKPJOBLT-UHFFFAOYSA-N 0 3 334.423 3.048 10 10 EGCEHN Cc1nc(CN2CCCN(Cc3ccc(N(C)C)cc3)CC2)cs1 ZINC000157227098 455174350 /nfs/dbraw/zinc/17/43/50/455174350.db2.gz WAIOWOCAYIGWLS-UHFFFAOYSA-N 0 3 344.528 3.225 10 10 EGCEHN CCC[N@H+](Cc1ccccc1[O-])CC1(O)CCC(C(=O)OCC)CC1 ZINC000190919959 455406120 /nfs/dbraw/zinc/40/61/20/455406120.db2.gz CQYLTQBOQHQGIW-UHFFFAOYSA-N 0 3 349.471 3.089 10 10 EGCEHN CCC[N@@H+](Cc1ccccc1[O-])CC1(O)CCC(C(=O)OCC)CC1 ZINC000190919959 455406124 /nfs/dbraw/zinc/40/61/24/455406124.db2.gz CQYLTQBOQHQGIW-UHFFFAOYSA-N 0 3 349.471 3.089 10 10 EGCEHN C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cc(F)ccc1[O-] ZINC000185171120 455515663 /nfs/dbraw/zinc/51/56/63/455515663.db2.gz OVIVKIXVYSPTKA-NWDGAFQWSA-N 0 3 337.416 3.347 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+]CCOCC(F)(F)C(F)F)c1[O-] ZINC000278121474 455762888 /nfs/dbraw/zinc/76/28/88/455762888.db2.gz AYYFHBUPSYXFPG-UHFFFAOYSA-N 0 3 329.721 3.361 10 10 EGCEHN Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(C)c(C)c3[O-])C2)n(C)n1 ZINC000278544426 455840322 /nfs/dbraw/zinc/84/03/22/455840322.db2.gz VFATYWCUYDXHAI-DLBZAZTESA-N 0 3 342.487 3.371 10 10 EGCEHN CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000189033901 456207032 /nfs/dbraw/zinc/20/70/32/456207032.db2.gz ZIFCFPZDRUOKEF-ROUUACIJSA-N 0 3 342.414 3.373 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000273493105 456234351 /nfs/dbraw/zinc/23/43/51/456234351.db2.gz OREVLFXUHVXSOL-ZIAGYGMSSA-N 0 3 337.485 3.496 10 10 EGCEHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000363627599 457388470 /nfs/dbraw/zinc/38/84/70/457388470.db2.gz YXWRVWKFZZKUBM-UHFFFAOYSA-N 0 3 348.450 3.463 10 10 EGCEHN O=C([C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2)N1CCCCC1 ZINC000371559139 457988722 /nfs/dbraw/zinc/98/87/22/457988722.db2.gz FOIYEJPJVIPSBK-KRWDZBQOSA-N 0 3 346.446 3.146 10 10 EGCEHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000376949359 458426985 /nfs/dbraw/zinc/42/69/85/458426985.db2.gz OCPIEXUJAFXWKH-JKSUJKDBSA-N 0 3 343.423 3.088 10 10 EGCEHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000376949359 458426987 /nfs/dbraw/zinc/42/69/87/458426987.db2.gz OCPIEXUJAFXWKH-JKSUJKDBSA-N 0 3 343.423 3.088 10 10 EGCEHN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H]2CN3CCC2CC3)cc1 ZINC000732159078 575240970 /nfs/dbraw/zinc/24/09/70/575240970.db2.gz DWSHIFCSDKUEDT-HXUWFJFHSA-N 0 3 337.467 3.260 10 10 EGCEHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3cc(O)ccc3F)C2)cc1 ZINC000872085067 1296725945 /nfs/dbraw/zinc/72/59/45/1296725945.db2.gz NCRQJYLBHXTSDG-UONOGXRCSA-N 0 3 330.403 3.469 10 10 EGCEHN CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000879651469 1300651295 /nfs/dbraw/zinc/65/12/95/1300651295.db2.gz XBNIOMUVHAFYAK-STQMWFEESA-N 0 3 326.396 3.273 10 10 EGCEHN COc1cc(C)cc(CN2Cc3cnn(C)c3CC(C)(C)C2)c1O ZINC000895365293 1309302683 /nfs/dbraw/zinc/30/26/83/1309302683.db2.gz ZRABITGVNIRAAC-UHFFFAOYSA-N 0 3 329.444 3.027 10 10 EGCEHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017288 1328660366 /nfs/dbraw/zinc/66/03/66/1328660366.db2.gz XBISNLDXDYYXGD-QGZVFWFLSA-N 0 3 328.387 3.457 10 10 EGCEHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017288 1328660370 /nfs/dbraw/zinc/66/03/70/1328660370.db2.gz XBISNLDXDYYXGD-QGZVFWFLSA-N 0 3 328.387 3.457 10 10 EGCEHN CN(C)c1ccc(/C=C\CNC[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000858208550 1328711601 /nfs/dbraw/zinc/71/16/01/1328711601.db2.gz IBWGKGRLJKSUHK-OICCZTGUSA-N 0 3 338.377 3.356 10 10 EGCEHN CN(C)c1ccc(/C=C\CNC[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000858208548 1328712070 /nfs/dbraw/zinc/71/20/70/1328712070.db2.gz IBWGKGRLJKSUHK-IMMZDGJCSA-N 0 3 338.377 3.356 10 10 EGCEHN CC[C@@](O)(CN(Cc1ccccc1O)C[C@H]1CCCO1)C(F)(F)F ZINC000929973143 1328753673 /nfs/dbraw/zinc/75/36/73/1328753673.db2.gz WYGHRBCXBAALLB-GDBMZVCRSA-N 0 3 347.377 3.077 10 10 EGCEHN CC[C@@](O)(CN(Cc1ccccc1O)C[C@@H]1CCCO1)C(F)(F)F ZINC000929973144 1328753934 /nfs/dbraw/zinc/75/39/34/1328753934.db2.gz WYGHRBCXBAALLB-GOEBONIOSA-N 0 3 347.377 3.077 10 10 EGCEHN C[C@@H](N[C@H](C)c1ccc(F)nc1)c1ccc(N2CCOCC2)cc1 ZINC000930210571 1328812702 /nfs/dbraw/zinc/81/27/02/1328812702.db2.gz OHKFPNFDDXTVPZ-HUUCEWRRSA-N 0 3 329.419 3.469 10 10 EGCEHN CN(C)c1cc(F)c(CNC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1F ZINC000922454091 1322531310 /nfs/dbraw/zinc/53/13/10/1322531310.db2.gz BCGPHEFTMVWVFN-IINYFYTJSA-N 0 3 338.320 3.230 10 10 EGCEHN C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000925775283 1325295274 /nfs/dbraw/zinc/29/52/74/1325295274.db2.gz FKODTZAIMSVBDU-NXEZZACHSA-N 0 3 338.320 3.306 10 10 EGCEHN CCC1(N2CCOCC2)CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000862535304 1329493568 /nfs/dbraw/zinc/49/35/68/1329493568.db2.gz INEWVDAZJOUASK-UHFFFAOYSA-N 0 3 338.879 3.122 10 10 EGCEHN COC(=O)[C@H]1CN(Cc2cc3c(cc2O)CCC3)Cc2ccccc21 ZINC000863333448 1329547480 /nfs/dbraw/zinc/54/74/80/1329547480.db2.gz PIIAYEOYKVMEIK-IBGZPJMESA-N 0 3 337.419 3.153 10 10 EGCEHN COc1ccc(N2CC[C@H](NCc3cnc(Cl)c(F)c3)C2)cc1 ZINC000865622385 1329721697 /nfs/dbraw/zinc/72/16/97/1329721697.db2.gz UIISZJAPBJOBRH-ZDUSSCGKSA-N 0 3 335.810 3.251 10 10 EGCEHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001324291290 1387583476 /nfs/dbraw/zinc/58/34/76/1387583476.db2.gz LIIDFBAHFLPWLL-OAHLLOKOSA-N 0 3 340.786 3.027 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)C2CCC3(CC3)CC2)N(C)C)cc1 ZINC001134882213 1376765246 /nfs/dbraw/zinc/76/52/46/1376765246.db2.gz MKBLRZUCIQOGDE-LJQANCHMSA-N 0 3 343.515 3.442 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2C[C@H]2C(C)C)cc1C ZINC001274470278 1378126131 /nfs/dbraw/zinc/12/61/31/1378126131.db2.gz ACTILYYLCNGIOG-FDICQLOXSA-N 0 3 330.472 3.058 10 10 EGCEHN C[C@H](CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)N(C)C ZINC001306946795 1383924297 /nfs/dbraw/zinc/92/42/97/1383924297.db2.gz CDBKETRFZLGXAT-CYBMUJFWSA-N 0 3 327.384 3.188 10 10 EGCEHN COc1ccc(N(C)CCN(C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC001307897263 1384052729 /nfs/dbraw/zinc/05/27/29/1384052729.db2.gz LWPUYFYYCYUABH-UHFFFAOYSA-N 0 3 343.427 3.480 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)c3cscc3C)CC2)cc1C ZINC001733241968 1429385850 /nfs/dbraw/zinc/38/58/50/1429385850.db2.gz WQJCKBRUJXDXSF-UHFFFAOYSA-N 0 3 344.480 3.426 10 10 EGCEHN C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185115655 455503919 /nfs/dbraw/zinc/50/39/19/455503919.db2.gz RPCPOJJVMMZYSG-NWDGAFQWSA-N 0 3 347.286 3.196 10 10 EGCEHN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000180204791 455148015 /nfs/dbraw/zinc/14/80/15/455148015.db2.gz WJYWSPCANULSLH-AWEZNQCLSA-N 0 3 344.377 3.015 10 10 EGCEHN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000180204791 455148017 /nfs/dbraw/zinc/14/80/17/455148017.db2.gz WJYWSPCANULSLH-AWEZNQCLSA-N 0 3 344.377 3.015 10 10 EGCEHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1[O-] ZINC000184696753 455430782 /nfs/dbraw/zinc/43/07/82/455430782.db2.gz IVDKAEBTTNANEG-DYVFJYSZSA-N 0 3 325.836 3.181 10 10 EGCEHN COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1[O-] ZINC000184696753 455430787 /nfs/dbraw/zinc/43/07/87/455430787.db2.gz IVDKAEBTTNANEG-DYVFJYSZSA-N 0 3 325.836 3.181 10 10 EGCEHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)c1 ZINC000186078552 455689418 /nfs/dbraw/zinc/68/94/18/455689418.db2.gz DJOLVEPHFYCBKF-OAHLLOKOSA-N 0 3 340.423 3.167 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000248530507 455719173 /nfs/dbraw/zinc/71/91/73/455719173.db2.gz XLQXMUSSKWUIDE-QMIHWGKISA-N 0 3 326.440 3.497 10 10 EGCEHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC000292781252 455756970 /nfs/dbraw/zinc/75/69/70/455756970.db2.gz LLBCSRJJSHODDU-ZBFHGGJFSA-N 0 3 332.444 3.224 10 10 EGCEHN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@@H]21 ZINC000292781252 455756974 /nfs/dbraw/zinc/75/69/74/455756974.db2.gz LLBCSRJJSHODDU-ZBFHGGJFSA-N 0 3 332.444 3.224 10 10 EGCEHN Cc1nocc1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000293684666 455794783 /nfs/dbraw/zinc/79/47/83/455794783.db2.gz VXLZUYNQUFVLFW-AWEZNQCLSA-N 0 3 337.370 3.343 10 10 EGCEHN COc1cc(OC)c(CN[C@@H]2CCc3cccc(O)c32)c(OC)c1 ZINC000296126332 455869686 /nfs/dbraw/zinc/86/96/86/455869686.db2.gz VOGASMPIYDFPJT-OAHLLOKOSA-N 0 3 329.396 3.195 10 10 EGCEHN C[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1cc2c(cc1[O-])CCCC2 ZINC000282968491 456676750 /nfs/dbraw/zinc/67/67/50/456676750.db2.gz CZKIZTIYJIWURX-FZKQIMNGSA-N 0 3 328.456 3.123 10 10 EGCEHN CCOc1cccc(C[NH+]2CCC(c3nccc(C)n3)CC2)c1[O-] ZINC000371886977 458110052 /nfs/dbraw/zinc/11/00/52/458110052.db2.gz BMOIVTGSTUFBNU-UHFFFAOYSA-N 0 3 327.428 3.269 10 10 EGCEHN CCOc1cccc(CN2CCC(c3nccc(C)n3)CC2)c1O ZINC000371886977 458110058 /nfs/dbraw/zinc/11/00/58/458110058.db2.gz BMOIVTGSTUFBNU-UHFFFAOYSA-N 0 3 327.428 3.269 10 10 EGCEHN CC[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)ccc1[O-] ZINC000530215566 458719128 /nfs/dbraw/zinc/71/91/28/458719128.db2.gz HNOQKZMFUFUJQX-DZGCQCFKSA-N 0 3 339.277 3.480 10 10 EGCEHN COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2cc(C)ccc2[O-])cc1 ZINC000527775822 459732452 /nfs/dbraw/zinc/73/24/52/459732452.db2.gz VQKVDJFGJDYXDN-GOSISDBHSA-N 0 3 326.440 3.073 10 10 EGCEHN COc1ccc(CN2CC[C@H]2C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000527964377 459784310 /nfs/dbraw/zinc/78/43/10/459784310.db2.gz BVPMAIFGLGSBHX-YOEHRIQHSA-N 0 3 344.430 3.465 10 10 EGCEHN COc1ccc(NC(=O)[C@H]2CCCN2Cc2ccccc2O)cc1 ZINC000378374328 547819388 /nfs/dbraw/zinc/81/93/88/547819388.db2.gz FOQOCZQUEBNPEM-QGZVFWFLSA-N 0 3 326.396 3.004 10 10 EGCEHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@@H]3CCN(C4CC4)C3)c2c1 ZINC000732188752 575243108 /nfs/dbraw/zinc/24/31/08/575243108.db2.gz KVCWHVHVIJFVSK-MRXNPFEDSA-N 0 3 326.440 3.223 10 10 EGCEHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@@H]3CCN(C4CC4)C3)c2c1 ZINC000732188752 575243109 /nfs/dbraw/zinc/24/31/09/575243109.db2.gz KVCWHVHVIJFVSK-MRXNPFEDSA-N 0 3 326.440 3.223 10 10 EGCEHN C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([O-])cs2)[C@H]1c1cccs1 ZINC000743567314 576812336 /nfs/dbraw/zinc/81/23/36/576812336.db2.gz OUULBIOEZSYBRY-NHYWBVRUSA-N 0 3 336.482 3.328 10 10 EGCEHN C[N@H+]1CCC[C@@H](CNC(=O)c2cc([O-])cs2)[C@H]1c1cccs1 ZINC000743567314 576812337 /nfs/dbraw/zinc/81/23/37/576812337.db2.gz OUULBIOEZSYBRY-NHYWBVRUSA-N 0 3 336.482 3.328 10 10 EGCEHN COc1ccc(N2CC[C@H](N[C@H](C)c3cccc(O)c3F)C2)cc1 ZINC000872085856 1296725023 /nfs/dbraw/zinc/72/50/23/1296725023.db2.gz RIOQUXFICRILFH-KGLIPLIRSA-N 0 3 330.403 3.469 10 10 EGCEHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc2cc(O)c(O)cc2s1 ZINC000898440504 1310736406 /nfs/dbraw/zinc/73/64/06/1310736406.db2.gz VOLJCEYOQJYGSF-CHWSQXEVSA-N 0 3 346.452 3.059 10 10 EGCEHN CN(C)c1cc(F)c(CNC[C@@H]2Cc3ccccc3CO2)cc1F ZINC000858211159 1328712788 /nfs/dbraw/zinc/71/27/88/1328712788.db2.gz FUKKDAUCFJDSCA-INIZCTEOSA-N 0 3 332.394 3.262 10 10 EGCEHN O=C1[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCN1C1CCC1 ZINC000858343176 1328740974 /nfs/dbraw/zinc/74/09/74/1328740974.db2.gz UMVZPLSBNOFEOL-LJQANCHMSA-N 0 3 336.435 3.302 10 10 EGCEHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000858470351 1328770091 /nfs/dbraw/zinc/77/00/91/1328770091.db2.gz YVEXQXTXVALCOL-SESVDKBCSA-N 0 3 341.451 3.196 10 10 EGCEHN CC[C@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1ccc(C)cc1[O-] ZINC000858539514 1328791717 /nfs/dbraw/zinc/79/17/17/1328791717.db2.gz FRXHSVWANLBFLT-HNNXBMFYSA-N 0 3 326.396 3.386 10 10 EGCEHN CCc1[nH]nc(Cl)c1CNC1CCN(c2ccc(OC)cc2)CC1 ZINC000921655776 1322371605 /nfs/dbraw/zinc/37/16/05/1322371605.db2.gz KWKCRBAJHQHNMA-UHFFFAOYSA-N 0 3 348.878 3.393 10 10 EGCEHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cc(O)cc(F)c1 ZINC000924751659 1323145767 /nfs/dbraw/zinc/14/57/67/1323145767.db2.gz TUWYXQGHTNJSOX-CQSZACIVSA-N 0 3 330.403 3.219 10 10 EGCEHN COc1ccc(N2CC[C@H](CN[C@H]3CCCc4oc(C)nc43)C2)cc1 ZINC000926610503 1327634857 /nfs/dbraw/zinc/63/48/57/1327634857.db2.gz DTVVTXGCDUYOHL-QAPCUYQASA-N 0 3 341.455 3.485 10 10 EGCEHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c([O-])c1 ZINC000926988630 1327809212 /nfs/dbraw/zinc/80/92/12/1327809212.db2.gz PHYQQCPXTHFKTG-DZUCGIPZSA-N 0 3 346.471 3.464 10 10 EGCEHN CN(C)c1cc(F)c(CN2CC[C@H](Cc3ccncc3)C2)cc1F ZINC000862312813 1329475301 /nfs/dbraw/zinc/47/53/01/1329475301.db2.gz AGPUFHNSDKMXOR-OAHLLOKOSA-N 0 3 331.410 3.490 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)C2(F)CCCC2)cc1C ZINC001321125941 1386817068 /nfs/dbraw/zinc/81/70/68/1386817068.db2.gz MICSKWHQPNHVGX-WAYWQWQTSA-N 0 3 334.435 3.048 10 10 EGCEHN CC[C@@H](c1cc(Br)ccc1[O-])N(C)[C@@H]1CCC[NH2+]C1 ZINC000104354190 219377552 /nfs/dbraw/zinc/37/75/52/219377552.db2.gz XOFRIDYBAFPPBQ-OCCSQVGLSA-N 0 3 327.266 3.290 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)C)N2CCCC2)cc1 ZINC000005097900 210390450 /nfs/dbraw/zinc/39/04/50/210390450.db2.gz HKKRIQBFZMQEQO-SFHVURJKSA-N 0 3 331.504 3.442 10 10 EGCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000245654143 455349036 /nfs/dbraw/zinc/34/90/36/455349036.db2.gz IJEHCCOOSZPCJL-FXAWDEMLSA-N 0 3 327.424 3.489 10 10 EGCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000245654143 455349038 /nfs/dbraw/zinc/34/90/38/455349038.db2.gz IJEHCCOOSZPCJL-FXAWDEMLSA-N 0 3 327.424 3.489 10 10 EGCEHN CC[C@@H]([NH2+]Cc1ccccc1[O-])c1ccccc1OCC(=O)N(C)C ZINC000071792543 454218708 /nfs/dbraw/zinc/21/87/08/454218708.db2.gz ITIOFDVDPLAISX-QGZVFWFLSA-N 0 3 342.439 3.100 10 10 EGCEHN Cc1ccccc1[C@H](C)NCC(=O)NCc1ccc(N(C)C)cc1 ZINC000102683886 454516109 /nfs/dbraw/zinc/51/61/09/454516109.db2.gz XXFYGXAIAIDWQJ-INIZCTEOSA-N 0 3 325.456 3.028 10 10 EGCEHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000156474412 455123027 /nfs/dbraw/zinc/12/30/27/455123027.db2.gz SLZWGZCJDYQHNT-UHFFFAOYSA-N 0 3 334.423 3.412 10 10 EGCEHN Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000190470559 455325366 /nfs/dbraw/zinc/32/53/66/455325366.db2.gz DFVPPQOEFHZMBL-INIZCTEOSA-N 0 3 345.512 3.419 10 10 EGCEHN Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000190470559 455325371 /nfs/dbraw/zinc/32/53/71/455325371.db2.gz DFVPPQOEFHZMBL-INIZCTEOSA-N 0 3 345.512 3.419 10 10 EGCEHN CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cc(C)ccc2[O-])n1 ZINC000191559462 455496841 /nfs/dbraw/zinc/49/68/41/455496841.db2.gz JYUHLRWZZSIVOC-GFCCVEGCSA-N 0 3 334.441 3.227 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c([O-])c1 ZINC000185408053 455555776 /nfs/dbraw/zinc/55/57/76/455555776.db2.gz LXBMFRMBWVNAAQ-YJBOKZPZSA-N 0 3 326.440 3.051 10 10 EGCEHN CNC(=O)[C@@H]1CCCN1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294882756 455830736 /nfs/dbraw/zinc/83/07/36/455830736.db2.gz QVTPJQAFFZJEMM-SFHVURJKSA-N 0 3 343.496 3.095 10 10 EGCEHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000294964691 455833358 /nfs/dbraw/zinc/83/33/58/455833358.db2.gz IOGCZAYVZGLMCE-VQIMIIECSA-N 0 3 328.412 3.196 10 10 EGCEHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c([O-])c1C ZINC000273433896 456230252 /nfs/dbraw/zinc/23/02/52/456230252.db2.gz WKCAJHTYVNHWJN-CVEARBPZSA-N 0 3 326.444 3.119 10 10 EGCEHN Cc1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c([O-])c1C ZINC000273582577 456238758 /nfs/dbraw/zinc/23/87/58/456238758.db2.gz NBNCADDSRVBGPY-APWZRJJASA-N 0 3 340.467 3.359 10 10 EGCEHN Cc1ccc([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)N(C)C)c(O)c1C ZINC000273582577 456238763 /nfs/dbraw/zinc/23/87/63/456238763.db2.gz NBNCADDSRVBGPY-APWZRJJASA-N 0 3 340.467 3.359 10 10 EGCEHN Cc1cc(Cl)cc(CN[C@@]2(CO)CCOc3ccccc32)c1O ZINC000282414653 456504889 /nfs/dbraw/zinc/50/48/89/456504889.db2.gz SHDBEFSXSLGUFG-GOSISDBHSA-N 0 3 333.815 3.114 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c([O-])c1C ZINC000283370717 456766916 /nfs/dbraw/zinc/76/69/16/456766916.db2.gz NXWZPZDNTWYHGA-TXPKVOOTSA-N 0 3 333.472 3.227 10 10 EGCEHN COc1ccc(NC(=O)[C@@H]2CCCN2Cc2cccc(C)c2O)cc1 ZINC000378444400 457397256 /nfs/dbraw/zinc/39/72/56/457397256.db2.gz WRQIVZTZYSBNIB-SFHVURJKSA-N 0 3 340.423 3.312 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCC(c3nc(C)no3)CC2)c1 ZINC000363860978 457456007 /nfs/dbraw/zinc/45/60/07/457456007.db2.gz VXTLCGOHIQESNS-XGNXJENSSA-N 0 3 331.416 3.469 10 10 EGCEHN Cc1cc(CCNCc2cnc(N(C)C)nc2)c(C)n1-c1ccccc1 ZINC000727465493 574669488 /nfs/dbraw/zinc/66/94/88/574669488.db2.gz LROPZEUCIXQSIQ-UHFFFAOYSA-N 0 3 349.482 3.282 10 10 EGCEHN Cc1cc(CCNC(=O)[C@H](C(C)C)N(C)C)c(C)n1-c1ccccc1 ZINC000732053785 575234363 /nfs/dbraw/zinc/23/43/63/575234363.db2.gz FZJTVQJCCYCGPS-FQEVSTJZSA-N 0 3 341.499 3.339 10 10 EGCEHN Cc1cc(O)c(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1C ZINC000742369265 576774536 /nfs/dbraw/zinc/77/45/36/576774536.db2.gz QUFZAXYNKKRHJE-CQSZACIVSA-N 0 3 348.468 3.231 10 10 EGCEHN COc1cc(Br)cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1[O-] ZINC000093442999 1292920749 /nfs/dbraw/zinc/92/07/49/1292920749.db2.gz GPVBUGTXOBMUPH-GHMZBOCLSA-N 0 3 326.234 3.395 10 10 EGCEHN CC(=O)c1cc(F)cc(CN2CCC(C)([NH+]3CCCC3)CC2)c1[O-] ZINC000879201819 1300426274 /nfs/dbraw/zinc/42/62/74/1300426274.db2.gz UIHXGZSDXUSYNB-UHFFFAOYSA-N 0 3 334.435 3.184 10 10 EGCEHN C[C@@H](NC[C@@H](n1cccn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000858449099 1328765621 /nfs/dbraw/zinc/76/56/21/1328765621.db2.gz WNYZXACZDNOHEI-IUODEOHRSA-N 0 3 326.366 3.403 10 10 EGCEHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000858470349 1328770038 /nfs/dbraw/zinc/77/00/38/1328770038.db2.gz YVEXQXTXVALCOL-CEWLAPEOSA-N 0 3 341.451 3.196 10 10 EGCEHN Cc1cc(C(=O)N[C@@H]2CCCN(C)C2)c(C)n1-c1ccc(F)cc1 ZINC000918709226 1321981753 /nfs/dbraw/zinc/98/17/53/1321981753.db2.gz YNTMWONGRPMUFH-MRXNPFEDSA-N 0 3 329.419 3.057 10 10 EGCEHN COC(=O)[C@@H](C)Oc1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000922328961 1322502687 /nfs/dbraw/zinc/50/26/87/1322502687.db2.gz KHNQXJMVOJVRQC-UONOGXRCSA-N 0 3 329.396 3.183 10 10 EGCEHN O=C(NCc1c([O-])cccc1F)c1ccc(C[NH+]2CCCC2)cc1 ZINC000928709066 1328405147 /nfs/dbraw/zinc/40/51/47/1328405147.db2.gz XDMYMEJAXDTMJJ-UHFFFAOYSA-N 0 3 328.387 3.057 10 10 EGCEHN CCC(=O)NCc1ccc(CNCc2ccc(OC)c(C)c2)cc1 ZINC001318987489 1385910217 /nfs/dbraw/zinc/91/02/17/1385910217.db2.gz DQBILIBCCLYNDF-UHFFFAOYSA-N 0 3 326.440 3.320 10 10 EGCEHN C[C@H]1CCC(C)(C)N1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001687807809 1396498763 /nfs/dbraw/zinc/49/87/63/1396498763.db2.gz VZLPTJNENCZNPQ-YJBOKZPZSA-N 0 3 346.519 3.328 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)c2cscc2C)cc1C ZINC001699243154 1412594172 /nfs/dbraw/zinc/59/41/72/1412594172.db2.gz QOJWDMDALBIAKG-SNAWJCMRSA-N 0 3 344.480 3.449 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)c2sccc2C)cc1C ZINC001732816067 1428992525 /nfs/dbraw/zinc/99/25/25/1428992525.db2.gz GTMYDTNPCCUYSA-PLNGDYQASA-N 0 3 344.480 3.449 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)c2oc(C)cc2C)cc1C ZINC001732838022 1429003148 /nfs/dbraw/zinc/00/31/48/1429003148.db2.gz IDYOCLVWJYZXBN-WAYWQWQTSA-N 0 3 342.439 3.289 10 10 EGCEHN COc1cc(Cl)cc(CNC[C@@H](n2cccn2)C(F)(F)F)c1O ZINC000529638056 313375637 /nfs/dbraw/zinc/37/56/37/313375637.db2.gz XIXIKLPZAWJAJA-GFCCVEGCSA-N 0 3 349.740 3.144 10 10 EGCEHN CCN(CC)c1ccc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)cc1 ZINC000067504309 453936258 /nfs/dbraw/zinc/93/62/58/453936258.db2.gz JWPSTYSCBJYQTR-GOSISDBHSA-N 0 3 325.456 3.388 10 10 EGCEHN COc1cccc(CN[C@H](C)c2ccc(N3CCN(C)CC3)cc2)c1 ZINC000071825382 454225798 /nfs/dbraw/zinc/22/57/98/454225798.db2.gz GXHKGNBYDMALNE-QGZVFWFLSA-N 0 3 339.483 3.298 10 10 EGCEHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccc1[O-] ZINC000183517445 455302953 /nfs/dbraw/zinc/30/29/53/455302953.db2.gz DHPKXFIATQNYQP-GJYPPUQNSA-N 0 3 325.456 3.348 10 10 EGCEHN CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2[O-])[C@H](C)C1 ZINC000184698196 455430094 /nfs/dbraw/zinc/43/00/94/455430094.db2.gz LWKOBDIIGBTLPZ-DOMZBBRYSA-N 0 3 326.868 3.216 10 10 EGCEHN CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2[O-])[C@H](C)C1 ZINC000184698196 455430099 /nfs/dbraw/zinc/43/00/99/455430099.db2.gz LWKOBDIIGBTLPZ-DOMZBBRYSA-N 0 3 326.868 3.216 10 10 EGCEHN C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1cc(F)ccc1[O-] ZINC000185764012 455618515 /nfs/dbraw/zinc/61/85/15/455618515.db2.gz DTSRSKNVHVOHKT-BBRMVZONSA-N 0 3 334.435 3.363 10 10 EGCEHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2[O-])[C@H]1Oc1ccccc1 ZINC000248589389 455720808 /nfs/dbraw/zinc/72/08/08/455720808.db2.gz YXAAUUOPCRTQFR-MISYRCLQSA-N 0 3 343.423 3.115 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c1[O-] ZINC000275879035 456339751 /nfs/dbraw/zinc/33/97/51/456339751.db2.gz AVQJAUUWHWKZJZ-HDJSIYSDSA-N 0 3 328.250 3.198 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c1[O-] ZINC000275879035 456339756 /nfs/dbraw/zinc/33/97/56/456339756.db2.gz AVQJAUUWHWKZJZ-HDJSIYSDSA-N 0 3 328.250 3.198 10 10 EGCEHN CC1CCN(c2ccc(CNC(=O)CC3CCN(C)CC3)cc2)CC1 ZINC000291430915 456641265 /nfs/dbraw/zinc/64/12/65/456641265.db2.gz FDQUSOKCDNPWER-UHFFFAOYSA-N 0 3 343.515 3.271 10 10 EGCEHN Cc1ccc([O-])c(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000364726827 457681289 /nfs/dbraw/zinc/68/12/89/457681289.db2.gz YUSKEOAVBOXQSA-SFHVURJKSA-N 0 3 342.483 3.315 10 10 EGCEHN COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000527964375 459784171 /nfs/dbraw/zinc/78/41/71/459784171.db2.gz BVPMAIFGLGSBHX-WMLDXEAASA-N 0 3 344.430 3.465 10 10 EGCEHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)c1[O-] ZINC000529668602 459833372 /nfs/dbraw/zinc/83/33/72/459833372.db2.gz HTVPVEBDMPBPDL-INIZCTEOSA-N 0 3 330.815 3.271 10 10 EGCEHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000730825831 575025856 /nfs/dbraw/zinc/02/58/56/575025856.db2.gz HOEBYKDPHGGPPP-IAGOWNOFSA-N 0 3 346.519 3.157 10 10 EGCEHN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@H]2CN3CCC2CC3)cc1 ZINC000732159077 575241033 /nfs/dbraw/zinc/24/10/33/575241033.db2.gz DWSHIFCSDKUEDT-FQEVSTJZSA-N 0 3 337.467 3.260 10 10 EGCEHN Cc1cc(F)ccc1N1CCC[C@H](N(C)Cc2ccccc2O)C1=O ZINC000735309091 575639118 /nfs/dbraw/zinc/63/91/18/575639118.db2.gz FPLVBZJZPWYXEE-SFHVURJKSA-N 0 3 342.414 3.467 10 10 EGCEHN CCOC(=O)c1csc(CC[NH2+][C@@H](CC)c2ccccc2[O-])n1 ZINC000191550481 1295690322 /nfs/dbraw/zinc/69/03/22/1295690322.db2.gz NXVNGTFKRHFTAI-ZDUSSCGKSA-N 0 3 334.441 3.309 10 10 EGCEHN c1cc(C2OCCO2)ccc1CNCc1ccc2c(c1)CCCO2 ZINC000921738958 1322388391 /nfs/dbraw/zinc/38/83/91/1322388391.db2.gz JKGMTWGTSODHSA-UHFFFAOYSA-N 0 3 325.408 3.347 10 10 EGCEHN C[C@H](NC(=O)NCc1c([O-])cccc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000922414591 1322524140 /nfs/dbraw/zinc/52/41/40/1322524140.db2.gz OTTDZOFAHUSNHD-SCLBCKFNSA-N 0 3 345.418 3.022 10 10 EGCEHN CN(C)c1ccc(/C=C\CNCc2cc(C(F)(F)F)nn2C)cc1 ZINC000922712473 1322599766 /nfs/dbraw/zinc/59/97/66/1322599766.db2.gz AQINHNVGTCDKKJ-PLNGDYQASA-N 0 3 338.377 3.308 10 10 EGCEHN C[C@H]1C[C@H](N(C)Cc2c([O-])cccc2Br)CC[N@H+]1C ZINC000862248592 1329471110 /nfs/dbraw/zinc/47/11/10/1329471110.db2.gz NNSCHSCZUZXNJW-NWDGAFQWSA-N 0 3 327.266 3.069 10 10 EGCEHN C[C@H]1C[C@H](N(C)Cc2c([O-])cccc2Br)CC[N@@H+]1C ZINC000862248592 1329471109 /nfs/dbraw/zinc/47/11/09/1329471109.db2.gz NNSCHSCZUZXNJW-NWDGAFQWSA-N 0 3 327.266 3.069 10 10 EGCEHN Cc1cc([O-])c(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000863645727 1329570128 /nfs/dbraw/zinc/57/01/28/1329570128.db2.gz LZHOTLFEPNNHNN-CMPLNLGQSA-N 0 3 336.785 3.313 10 10 EGCEHN Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)c([O-])c1 ZINC000866516256 1330121133 /nfs/dbraw/zinc/12/11/33/1330121133.db2.gz BSMGDVVLHUQOHU-BFYDXBDKSA-N 0 3 345.464 3.356 10 10 EGCEHN CC(C)CC1(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC001479533439 1392272508 /nfs/dbraw/zinc/27/25/08/1392272508.db2.gz HVNWVDOSEHHRGU-SFHVURJKSA-N 0 3 346.519 3.233 10 10 EGCEHN CCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1CCCC1 ZINC001479534311 1392272532 /nfs/dbraw/zinc/27/25/32/1392272532.db2.gz MVLIZYAPRARDGL-LJQANCHMSA-N 0 3 346.519 3.329 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CC[C@H](C)C2)cc1C ZINC001715876256 1420379832 /nfs/dbraw/zinc/37/98/32/1420379832.db2.gz IGYVGYGCVVVJRO-UGZKAYFTSA-N 0 3 330.472 3.202 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)Cc2ccsc2)cc1C ZINC001716265620 1420588374 /nfs/dbraw/zinc/58/83/74/1420588374.db2.gz PEOJVQOOBXVRSM-ARJAWSKDSA-N 0 3 344.480 3.070 10 10 EGCEHN [O-]c1ccc(Br)cc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000263653362 456182453 /nfs/dbraw/zinc/18/24/53/456182453.db2.gz DUUFFDFNOTWSFH-UHFFFAOYSA-N 0 3 339.277 3.261 10 10 EGCEHN CCOCc1cc(CN[C@H](CCO)c2ccccc2)ccc1OC ZINC000077468097 454109477 /nfs/dbraw/zinc/10/94/77/454109477.db2.gz GRMXIRNGMQXMNJ-LJQANCHMSA-N 0 3 329.440 3.445 10 10 EGCEHN CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])n1 ZINC000191555112 455496172 /nfs/dbraw/zinc/49/61/72/455496172.db2.gz LQEFJCVDOIKUOD-JTQLQIEISA-N 0 3 338.404 3.058 10 10 EGCEHN CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])n1 ZINC000191553204 455496257 /nfs/dbraw/zinc/49/62/57/455496257.db2.gz BMMUSBQKJGWZHO-GFCCVEGCSA-N 0 3 334.441 3.227 10 10 EGCEHN c1ncn([C@@H]2CCCN(Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000179464661 455050145 /nfs/dbraw/zinc/05/01/45/455050145.db2.gz RZKSFQDLDKAWII-LJQANCHMSA-N 0 3 325.460 3.106 10 10 EGCEHN O=C(NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)C1CCCCC1 ZINC000180009245 455115732 /nfs/dbraw/zinc/11/57/32/455115732.db2.gz CYEHFNVXEQXADW-UHFFFAOYSA-N 0 3 334.435 3.192 10 10 EGCEHN Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3[O-])C2)n1 ZINC000180121536 455135077 /nfs/dbraw/zinc/13/50/77/455135077.db2.gz SVYLMSGBPUTADX-HNNXBMFYSA-N 0 3 348.878 3.475 10 10 EGCEHN Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cc(Cl)cc(C)c3[O-])C2)n1 ZINC000180121536 455135078 /nfs/dbraw/zinc/13/50/78/455135078.db2.gz SVYLMSGBPUTADX-HNNXBMFYSA-N 0 3 348.878 3.475 10 10 EGCEHN COc1cc(O)c(CN2CCCC[C@H]2c2cccn2C)cc1OC ZINC000180638293 455214947 /nfs/dbraw/zinc/21/49/47/455214947.db2.gz VNAHXJKVIAYEKQ-INIZCTEOSA-N 0 3 330.428 3.475 10 10 EGCEHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000245699582 455358963 /nfs/dbraw/zinc/35/89/63/455358963.db2.gz BITJDOCURUIKOG-MAUKXSAKSA-N 0 3 331.412 3.472 10 10 EGCEHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000245699582 455358968 /nfs/dbraw/zinc/35/89/68/455358968.db2.gz BITJDOCURUIKOG-MAUKXSAKSA-N 0 3 331.412 3.472 10 10 EGCEHN CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c([O-])ccc4ccccc43)[C@H]2C1 ZINC000246450208 455492122 /nfs/dbraw/zinc/49/21/22/455492122.db2.gz IXAXDSVPEJAQSJ-BPAFIMBUSA-N 0 3 327.424 3.314 10 10 EGCEHN CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3c([O-])ccc4ccccc43)[C@H]2C1 ZINC000246450208 455492125 /nfs/dbraw/zinc/49/21/25/455492125.db2.gz IXAXDSVPEJAQSJ-BPAFIMBUSA-N 0 3 327.424 3.314 10 10 EGCEHN CC[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccccc1[O-] ZINC000248544545 455719327 /nfs/dbraw/zinc/71/93/27/455719327.db2.gz DNXXRWPHJRBGTL-GGPKGHCWSA-N 0 3 340.467 3.068 10 10 EGCEHN COc1cc(OC)c(C[C@H](C)[NH2+]Cc2ccccc2[O-])c(OC)c1 ZINC000295113289 455838390 /nfs/dbraw/zinc/83/83/90/455838390.db2.gz WIUVSQONHSJONS-ZDUSSCGKSA-N 0 3 331.412 3.139 10 10 EGCEHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)CC2 ZINC000296234213 455887660 /nfs/dbraw/zinc/88/76/60/455887660.db2.gz APDUOQYHHDZLMO-HUUCEWRRSA-N 0 3 348.240 3.465 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1[O-] ZINC000188569318 456087257 /nfs/dbraw/zinc/08/72/57/456087257.db2.gz WSPKQSFBGBJWTA-MGPQQGTHSA-N 0 3 326.234 3.120 10 10 EGCEHN [O-]c1ccc(Br)cc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000271195005 456166364 /nfs/dbraw/zinc/16/63/64/456166364.db2.gz NXYKJLDOAKFUHV-UHFFFAOYSA-N 0 3 336.233 3.257 10 10 EGCEHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c1[O-] ZINC000289953561 456194722 /nfs/dbraw/zinc/19/47/22/456194722.db2.gz YAKKUSRRTQKRQT-CYBMUJFWSA-N 0 3 334.803 3.322 10 10 EGCEHN C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc(F)ccc1[O-] ZINC000189044604 456209187 /nfs/dbraw/zinc/20/91/87/456209187.db2.gz OVDPUHCWAKIUGI-SJKOYZFVSA-N 0 3 346.377 3.122 10 10 EGCEHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)C(F)(F)F)c1[O-] ZINC000275320151 456272744 /nfs/dbraw/zinc/27/27/44/456272744.db2.gz KUVUTAGUKAUCKK-XVKPBYJWSA-N 0 3 342.155 3.037 10 10 EGCEHN Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1[O-] ZINC000277368895 456797298 /nfs/dbraw/zinc/79/72/98/456797298.db2.gz FPQQKGMTUJXRBU-GDBMZVCRSA-N 0 3 334.460 3.436 10 10 EGCEHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](OC)c2cccc(OC)c2)c1 ZINC000527734430 459718555 /nfs/dbraw/zinc/71/85/55/459718555.db2.gz HGHJLWDVCYUVCL-LJQANCHMSA-N 0 3 331.412 3.277 10 10 EGCEHN COc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC000093442998 1292921318 /nfs/dbraw/zinc/92/13/18/1292921318.db2.gz GPVBUGTXOBMUPH-PHIMTYICSA-N 0 3 326.234 3.395 10 10 EGCEHN COc1cc(Br)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC000093442998 1292921326 /nfs/dbraw/zinc/92/13/26/1292921326.db2.gz GPVBUGTXOBMUPH-PHIMTYICSA-N 0 3 326.234 3.395 10 10 EGCEHN COc1ccc(N2CC[C@H](N[C@@H](C)c3cc(O)ccc3F)C2)cc1 ZINC000872085065 1296725800 /nfs/dbraw/zinc/72/58/00/1296725800.db2.gz NCRQJYLBHXTSDG-KBPBESRZSA-N 0 3 330.403 3.469 10 10 EGCEHN COC(=O)c1c(CN(C)[C@H]2CCSC2)c2cc(F)ccc2n1C ZINC000893929034 1306133654 /nfs/dbraw/zinc/13/36/54/1306133654.db2.gz KNDIRZQSLBBTPC-LBPRGKRZSA-N 0 3 336.432 3.041 10 10 EGCEHN O=[N+]([O-])c1cc(CN[C@@H]2CO[C@H](C3CC3)C2)ccc1N1CCCCC1 ZINC000858296453 1328732096 /nfs/dbraw/zinc/73/20/96/1328732096.db2.gz TVSLUPBEFUPNMX-LPHOPBHVSA-N 0 3 345.443 3.242 10 10 EGCEHN COc1ncc(Br)cc1CN[C@H]1CCc2cccc(O)c21 ZINC000858494511 1328779206 /nfs/dbraw/zinc/77/92/06/1328779206.db2.gz KHSIWLZARGHJGA-ZDUSSCGKSA-N 0 3 349.228 3.335 10 10 EGCEHN C[C@@H](NCc1ccnn1C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000921590028 1322359361 /nfs/dbraw/zinc/35/93/61/1322359361.db2.gz AJMICDYNTODEBR-MRXNPFEDSA-N 0 3 340.471 3.296 10 10 EGCEHN CCOc1cc(F)cc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000865427742 1329696101 /nfs/dbraw/zinc/69/61/01/1329696101.db2.gz IWUVABJRTVZHNK-UHFFFAOYSA-N 0 3 344.430 3.351 10 10 EGCEHN C[C@@H](NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000868449146 1330281796 /nfs/dbraw/zinc/28/17/96/1330281796.db2.gz UGGLLCPNMPFACG-DKSSEZFCSA-N 0 3 339.439 3.198 10 10 EGCEHN Cn1c2cc(CNCc3ccc(N4CCCC4)cc3)ccc2oc1=O ZINC001329065960 1388950961 /nfs/dbraw/zinc/95/09/61/1388950961.db2.gz CBPPHSNWVPETFS-UHFFFAOYSA-N 0 3 337.423 3.022 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)c3cccc(C)c3)CC2)cc1C ZINC001733235728 1429375149 /nfs/dbraw/zinc/37/51/49/1429375149.db2.gz SGGHMAMDNWHNDF-UHFFFAOYSA-N 0 3 338.451 3.364 10 10 EGCEHN CN(Cc1ccc(N2CCCCC2)cc1)C[C@H](O)COC(C)(C)C ZINC000053420223 453877580 /nfs/dbraw/zinc/87/75/80/453877580.db2.gz HCLDMCLKXIDQQN-IBGZPJMESA-N 0 3 334.504 3.285 10 10 EGCEHN COc1ccc(CN[C@@H](C)c2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000071825379 454225626 /nfs/dbraw/zinc/22/56/26/454225626.db2.gz DQIINXNHBWIGNH-KRWDZBQOSA-N 0 3 339.483 3.298 10 10 EGCEHN Fc1ccc2c(c1)CC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000071837145 454228340 /nfs/dbraw/zinc/22/83/40/454228340.db2.gz VTLUATZGPHKRSD-FQEVSTJZSA-N 0 3 326.415 3.439 10 10 EGCEHN CCCCN(C)C(=O)C1CC[NH+](Cc2cc(OCC)ccc2[O-])CC1 ZINC000092145909 454528992 /nfs/dbraw/zinc/52/89/92/454528992.db2.gz CRUUZWPADREEPB-UHFFFAOYSA-N 0 3 348.487 3.261 10 10 EGCEHN CCCCN(C)C(=O)C1CCN(Cc2cc(OCC)ccc2O)CC1 ZINC000092145909 454528998 /nfs/dbraw/zinc/52/89/98/454528998.db2.gz CRUUZWPADREEPB-UHFFFAOYSA-N 0 3 348.487 3.261 10 10 EGCEHN CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])n1 ZINC000191553187 455495578 /nfs/dbraw/zinc/49/55/78/455495578.db2.gz BMMUSBQKJGWZHO-LBPRGKRZSA-N 0 3 334.441 3.227 10 10 EGCEHN Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000190469112 455325311 /nfs/dbraw/zinc/32/53/11/455325311.db2.gz XSCUARTWPFVXHJ-CQSZACIVSA-N 0 3 349.475 3.250 10 10 EGCEHN Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000190469112 455325315 /nfs/dbraw/zinc/32/53/15/455325315.db2.gz XSCUARTWPFVXHJ-CQSZACIVSA-N 0 3 349.475 3.250 10 10 EGCEHN Cc1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c([O-])c1 ZINC000185408091 455555856 /nfs/dbraw/zinc/55/58/56/455555856.db2.gz LXBMFRMBWVNAAQ-MAUKXSAKSA-N 0 3 326.440 3.051 10 10 EGCEHN C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000277621883 455617314 /nfs/dbraw/zinc/61/73/14/455617314.db2.gz XEYICNNPJMSUMY-DNVCBOLYSA-N 0 3 327.424 3.486 10 10 EGCEHN COc1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000185979841 455667740 /nfs/dbraw/zinc/66/77/40/455667740.db2.gz KPCKOUMHRHVABJ-CHWSQXEVSA-N 0 3 338.448 3.355 10 10 EGCEHN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2[O-])C12CCOCC2 ZINC000248621794 455723087 /nfs/dbraw/zinc/72/30/87/455723087.db2.gz AVDNVORTVXFZPI-FSPWUOQZSA-N 0 3 335.444 3.026 10 10 EGCEHN Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(Cl)cc(C)c3[O-])C2)n(C)n1 ZINC000278750626 455846802 /nfs/dbraw/zinc/84/68/02/455846802.db2.gz SDMKJLMTKXPINA-INIZCTEOSA-N 0 3 348.878 3.155 10 10 EGCEHN Cc1noc(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])n1 ZINC000187321446 455894693 /nfs/dbraw/zinc/89/46/93/455894693.db2.gz MDPZWYDWMJUKPN-SECBINFHSA-N 0 3 340.221 3.048 10 10 EGCEHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000378440689 457396558 /nfs/dbraw/zinc/39/65/58/457396558.db2.gz DHJMDLLYHISPTA-SJORKVTESA-N 0 3 349.862 3.176 10 10 EGCEHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000378440689 457396566 /nfs/dbraw/zinc/39/65/66/457396566.db2.gz DHJMDLLYHISPTA-SJORKVTESA-N 0 3 349.862 3.176 10 10 EGCEHN Cc1cc(Cl)cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1[O-] ZINC000374912266 457733898 /nfs/dbraw/zinc/73/38/98/457733898.db2.gz NWRUJBUBQDHFMD-AWEZNQCLSA-N 0 3 339.863 3.372 10 10 EGCEHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000368978613 458068626 /nfs/dbraw/zinc/06/86/26/458068626.db2.gz SXVRMEWWLFSYCG-OAHLLOKOSA-N 0 3 349.862 3.479 10 10 EGCEHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000376949358 458427016 /nfs/dbraw/zinc/42/70/16/458427016.db2.gz OCPIEXUJAFXWKH-HZPDHXFCSA-N 0 3 343.423 3.088 10 10 EGCEHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000376949358 458427020 /nfs/dbraw/zinc/42/70/20/458427020.db2.gz OCPIEXUJAFXWKH-HZPDHXFCSA-N 0 3 343.423 3.088 10 10 EGCEHN Cc1ncc(CNC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000726608159 574563675 /nfs/dbraw/zinc/56/36/75/574563675.db2.gz PIYHNYVBGKMNJU-UHFFFAOYSA-N 0 3 348.397 3.145 10 10 EGCEHN C[C@@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(Br)cc1[O-] ZINC000925779992 1325299317 /nfs/dbraw/zinc/29/93/17/1325299317.db2.gz DARFVROAOYSERX-NXEZZACHSA-N 0 3 349.219 3.050 10 10 EGCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000929753635 1328688199 /nfs/dbraw/zinc/68/81/99/1328688199.db2.gz SYOCLHUYDZEXLI-PZJWPPBQSA-N 0 3 343.467 3.479 10 10 EGCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000929753635 1328688210 /nfs/dbraw/zinc/68/82/10/1328688210.db2.gz SYOCLHUYDZEXLI-PZJWPPBQSA-N 0 3 343.467 3.479 10 10 EGCEHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3cc(OC)ccn3)C2)cc1 ZINC000926680235 1327663344 /nfs/dbraw/zinc/66/33/44/1327663344.db2.gz LBCZKFMDFQILGI-LSDHHAIUSA-N 0 3 327.428 3.028 10 10 EGCEHN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cc(O)cc(F)c1 ZINC000926722943 1327683766 /nfs/dbraw/zinc/68/37/66/1327683766.db2.gz BCTFSIRIRFZKAW-AWEZNQCLSA-N 0 3 344.430 3.343 10 10 EGCEHN O=C1C[C@H](CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CN1 ZINC000926977094 1327805613 /nfs/dbraw/zinc/80/56/13/1327805613.db2.gz CKWPTHPUEPFZGK-HKUYNNGSSA-N 0 3 338.451 3.182 10 10 EGCEHN CC[N@@H+]1CC[C@H](N(C)Cc2c([O-])cccc2Br)[C@@H](C)C1 ZINC000862248798 1329470903 /nfs/dbraw/zinc/47/09/03/1329470903.db2.gz SEADOZBPZXGHCY-WFASDCNBSA-N 0 3 341.293 3.317 10 10 EGCEHN CC[N@H+]1CC[C@H](N(C)Cc2c([O-])cccc2Br)[C@@H](C)C1 ZINC000862248798 1329470904 /nfs/dbraw/zinc/47/09/04/1329470904.db2.gz SEADOZBPZXGHCY-WFASDCNBSA-N 0 3 341.293 3.317 10 10 EGCEHN Cc1cc(N(C)C)ccc1CNC[C@H](n1cccn1)C(F)(F)F ZINC000862435083 1329486709 /nfs/dbraw/zinc/48/67/09/1329486709.db2.gz MXGYAGDGPKLYPN-HNNXBMFYSA-N 0 3 326.366 3.151 10 10 EGCEHN COc1cccc([C@H](O)C2CC[NH+](Cc3cc(F)ccc3[O-])CC2)c1 ZINC000862544201 1329495141 /nfs/dbraw/zinc/49/51/41/1329495141.db2.gz UBTXKABVCVNXIV-HXUWFJFHSA-N 0 3 345.414 3.486 10 10 EGCEHN C[C@H]([NH2+]CCC1(O)CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000866443388 1330113330 /nfs/dbraw/zinc/11/33/30/1330113330.db2.gz LLAZMTZBXVXIPP-KRWDZBQOSA-N 0 3 340.467 3.464 10 10 EGCEHN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001156589630 1380597405 /nfs/dbraw/zinc/59/74/05/1380597405.db2.gz FYAHIEDKLJEQTD-OAHLLOKOSA-N 0 3 331.485 3.226 10 10 EGCEHN COc1cc([N+](=O)[O-])c(N2CCN(C3CCCC3)[C@H](C)C2)cc1OC ZINC001307209472 1383957794 /nfs/dbraw/zinc/95/77/94/1383957794.db2.gz BQBKDBKKQRRFFS-CYBMUJFWSA-N 0 3 349.431 3.065 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)C(C)(C)C(C)C)CC2)cc1C ZINC001733245008 1429390184 /nfs/dbraw/zinc/39/01/84/1429390184.db2.gz YSTKWJQNDFUFTJ-UHFFFAOYSA-N 0 3 332.488 3.424 10 10 EGCEHN CN(C)Cc1cc(C[C@@H]2C[C@H]([NH2+]Cc3ccccc3[O-])C2(C)C)no1 ZINC000067889801 215242587 /nfs/dbraw/zinc/24/25/87/215242587.db2.gz IKAHEHZLJSXFJN-BEFAXECRSA-N 0 3 343.471 3.189 10 10 EGCEHN CC[C@H](c1cc(Br)ccc1[O-])N(C)[C@@H]1CCC[NH2+]C1 ZINC000104354192 219377422 /nfs/dbraw/zinc/37/74/22/219377422.db2.gz XOFRIDYBAFPPBQ-TZMCWYRMSA-N 0 3 327.266 3.290 10 10 EGCEHN CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)C)N2CCCC2)cc1 ZINC000005097901 210390243 /nfs/dbraw/zinc/39/02/43/210390243.db2.gz HKKRIQBFZMQEQO-GOSISDBHSA-N 0 3 331.504 3.442 10 10 EGCEHN Cn1cc(CNCc2ccc(N3CCCC3)cc2)c(-c2cccnc2)n1 ZINC000097159943 454417630 /nfs/dbraw/zinc/41/76/30/454417630.db2.gz PUKJGTYBPAIYAB-UHFFFAOYSA-N 0 3 347.466 3.372 10 10 EGCEHN CCOc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000162656285 454791046 /nfs/dbraw/zinc/79/10/46/454791046.db2.gz LLNMKDNRGZMIPU-UHFFFAOYSA-N 0 3 346.471 3.015 10 10 EGCEHN CCOc1ccc(O)c(CN2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000162656285 454791051 /nfs/dbraw/zinc/79/10/51/454791051.db2.gz LLNMKDNRGZMIPU-UHFFFAOYSA-N 0 3 346.471 3.015 10 10 EGCEHN CCc1nccn1[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000180138538 455138794 /nfs/dbraw/zinc/13/87/94/455138794.db2.gz ISZKRFBUVQBDHC-OAHLLOKOSA-N 0 3 345.443 3.005 10 10 EGCEHN COc1cc(Cl)cc(CN2CCC[C@H](n3cc(C)cn3)C2)c1O ZINC000184691063 455429298 /nfs/dbraw/zinc/42/92/98/455429298.db2.gz QBLMYXJCIMXSAX-HNNXBMFYSA-N 0 3 335.835 3.396 10 10 EGCEHN COc1cc(Cl)cc(CN2CC[C@H](Oc3cccnc3)C2)c1O ZINC000184699218 455430330 /nfs/dbraw/zinc/43/03/30/455430330.db2.gz LGXLETPQWOJZLV-HNNXBMFYSA-N 0 3 334.803 3.103 10 10 EGCEHN CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2[O-])c2ccc(F)cc2C1 ZINC000185352842 455546549 /nfs/dbraw/zinc/54/65/49/455546549.db2.gz UQFDCANYNWDWGN-IBGZPJMESA-N 0 3 342.414 3.423 10 10 EGCEHN CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc(C)ccc3[O-])C2)ncn1 ZINC000248486730 455716792 /nfs/dbraw/zinc/71/67/92/455716792.db2.gz FTIIVIMCWHLEBX-WBVHZDCISA-N 0 3 340.471 3.373 10 10 EGCEHN CCOc1ccc(O)c(CN[C@H](c2cccnc2)C(C)(C)CO)c1 ZINC000293531166 455790487 /nfs/dbraw/zinc/79/04/87/455790487.db2.gz BWDWKQJTFJGYHS-GOSISDBHSA-N 0 3 330.428 3.035 10 10 EGCEHN CCOc1ccc(O)c(CNCc2ccnc(C(F)(F)F)c2)c1 ZINC000294949498 455832894 /nfs/dbraw/zinc/83/28/94/455832894.db2.gz CWNGDVXBLMOUQA-UHFFFAOYSA-N 0 3 326.318 3.495 10 10 EGCEHN CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296270222 455896456 /nfs/dbraw/zinc/89/64/56/455896456.db2.gz CCKHKJFPYNGRLE-UKRRQHHQSA-N 0 3 332.444 3.226 10 10 EGCEHN C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000742386742 576777551 /nfs/dbraw/zinc/77/75/51/576777551.db2.gz AKKZSLAMCVQJSF-NIKGAXFTSA-N 0 3 336.435 3.158 10 10 EGCEHN Cc1cc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)ccn1 ZINC000858101028 1328682639 /nfs/dbraw/zinc/68/26/39/1328682639.db2.gz XBWZRJDVPUVXEH-IYBDPMFKSA-N 0 3 343.446 3.433 10 10 EGCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000929753630 1328688792 /nfs/dbraw/zinc/68/87/92/1328688792.db2.gz SYOCLHUYDZEXLI-CTNGQTDRSA-N 0 3 343.467 3.479 10 10 EGCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000929753630 1328688816 /nfs/dbraw/zinc/68/88/16/1328688816.db2.gz SYOCLHUYDZEXLI-CTNGQTDRSA-N 0 3 343.467 3.479 10 10 EGCEHN [O-]c1ccccc1C[N@H+](CCCc1cccnc1)C[C@H]1CCCO1 ZINC000929970251 1328753166 /nfs/dbraw/zinc/75/31/66/1328753166.db2.gz JCUOLCUXYUPDHL-LJQANCHMSA-N 0 3 326.440 3.401 10 10 EGCEHN [O-]c1ccccc1C[N@@H+](CCCc1cccnc1)C[C@H]1CCCO1 ZINC000929970251 1328753170 /nfs/dbraw/zinc/75/31/70/1328753170.db2.gz JCUOLCUXYUPDHL-LJQANCHMSA-N 0 3 326.440 3.401 10 10 EGCEHN C[C@H](NC[C@@H](n1cccn1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000858449100 1328765731 /nfs/dbraw/zinc/76/57/31/1328765731.db2.gz WNYZXACZDNOHEI-SWLSCSKDSA-N 0 3 326.366 3.403 10 10 EGCEHN Oc1cc2c(cc1CN1CCN(c3ccc(Cl)cn3)CC1)CCC2 ZINC000921188673 1322270950 /nfs/dbraw/zinc/27/09/50/1322270950.db2.gz MRNYYFWURXCCEH-UHFFFAOYSA-N 0 3 343.858 3.252 10 10 EGCEHN C[C@H](NC(=O)NCc1c([O-])cccc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000922414594 1322524293 /nfs/dbraw/zinc/52/42/93/1322524293.db2.gz OTTDZOFAHUSNHD-UGSOOPFHSA-N 0 3 345.418 3.022 10 10 EGCEHN CC[C@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)c1cc(Cl)ccc1[O-] ZINC000925790998 1325301964 /nfs/dbraw/zinc/30/19/64/1325301964.db2.gz JWXZBXCYTINSCV-ZBFHGGJFSA-N 0 3 338.879 3.245 10 10 EGCEHN CCn1nc(C)c([C@@H](C)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000926597340 1327630394 /nfs/dbraw/zinc/63/03/94/1327630394.db2.gz WREIJGKHGBLAIK-HUUCEWRRSA-N 0 3 329.492 3.263 10 10 EGCEHN CN1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CC1(C)C ZINC000862366589 1329478394 /nfs/dbraw/zinc/47/83/94/1329478394.db2.gz UHSQBYTZZJTAOQ-CYBMUJFWSA-N 0 3 327.266 3.117 10 10 EGCEHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccccc1O ZINC000868449152 1330281780 /nfs/dbraw/zinc/28/17/80/1330281780.db2.gz UGGLLCPNMPFACG-YJLNNSPDSA-N 0 3 339.439 3.198 10 10 EGCEHN COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001308009930 1384074214 /nfs/dbraw/zinc/07/42/14/1384074214.db2.gz HQTJDBAOKPHYPG-NSHDSACASA-N 0 3 334.803 3.344 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)c2occc2Cl)cc1C ZINC001497672768 1396777615 /nfs/dbraw/zinc/77/76/15/1396777615.db2.gz VDVPNFNKNCGYLF-ONEGZZNKSA-N 0 3 348.830 3.326 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)c2ccc(C)cc2)cc1C ZINC001497744798 1396819198 /nfs/dbraw/zinc/81/91/98/1396819198.db2.gz YUFHZIXGGGCACJ-SNAWJCMRSA-N 0 3 338.451 3.388 10 10 EGCEHN COc1ccc(CNC/C=C\CNC(=O)c2cccc(F)c2)cc1C ZINC001715781173 1420341530 /nfs/dbraw/zinc/34/15/30/1420341530.db2.gz IZGFFIVRNVDECU-ARJAWSKDSA-N 0 3 342.414 3.219 10 10 EGCEHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c1 ZINC000091686411 454457646 /nfs/dbraw/zinc/45/76/46/454457646.db2.gz QSORAKJYUGOKCT-MRXNPFEDSA-N 0 3 339.439 3.255 10 10 EGCEHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c1 ZINC000091686411 454457650 /nfs/dbraw/zinc/45/76/50/454457650.db2.gz QSORAKJYUGOKCT-MRXNPFEDSA-N 0 3 339.439 3.255 10 10 EGCEHN Cc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000127508597 454971279 /nfs/dbraw/zinc/97/12/79/454971279.db2.gz GCRZTZVWCPXVLW-RHSMWYFYSA-N 0 3 340.471 3.044 10 10 EGCEHN CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1[O-] ZINC000155758940 455041595 /nfs/dbraw/zinc/04/15/95/455041595.db2.gz NLWWDDRJRZGNOS-ROUUACIJSA-N 0 3 326.440 3.132 10 10 EGCEHN Cc1cc(O)c(CN[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1C ZINC000191771083 455518469 /nfs/dbraw/zinc/51/84/69/455518469.db2.gz VGUAAEODYPKCGX-GOSISDBHSA-N 0 3 342.414 3.039 10 10 EGCEHN C[C@H](CC[NH2+][C@@H](C)c1cc(F)ccc1[O-])NC(=O)OC(C)(C)C ZINC000185980160 455667840 /nfs/dbraw/zinc/66/78/40/455667840.db2.gz TVMSHKJVCVKWLR-NEPJUHHUSA-N 0 3 326.412 3.485 10 10 EGCEHN CCOc1ccc(O)c(CN[C@@H](c2cccnc2)C(C)(C)CO)c1 ZINC000293531168 455790561 /nfs/dbraw/zinc/79/05/61/455790561.db2.gz BWDWKQJTFJGYHS-SFHVURJKSA-N 0 3 330.428 3.035 10 10 EGCEHN Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3c(C)cc(C)cc3[O-])C2)n(C)n1 ZINC000285279121 455817093 /nfs/dbraw/zinc/81/70/93/455817093.db2.gz REKGFWUWVIBCSG-DLBZAZTESA-N 0 3 342.487 3.371 10 10 EGCEHN CC1(CCCC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)OCCO1 ZINC000278567838 455840356 /nfs/dbraw/zinc/84/03/56/455840356.db2.gz IYAMLOUJNSAXSU-SFHVURJKSA-N 0 3 349.471 3.307 10 10 EGCEHN CC1(CCCC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)OCCO1 ZINC000278567838 455840360 /nfs/dbraw/zinc/84/03/60/455840360.db2.gz IYAMLOUJNSAXSU-SFHVURJKSA-N 0 3 349.471 3.307 10 10 EGCEHN COC[C@@](C)(CCO)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000295829121 455860992 /nfs/dbraw/zinc/86/09/92/455860992.db2.gz VGPAMTHQOSWVKR-LJQANCHMSA-N 0 3 348.512 3.262 10 10 EGCEHN C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccccc1[O-] ZINC000376058085 458180729 /nfs/dbraw/zinc/18/07/29/458180729.db2.gz OQFVRFLKTINYAV-LBPRGKRZSA-N 0 3 347.846 3.329 10 10 EGCEHN O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc([O-])cs1 ZINC000731866031 575213454 /nfs/dbraw/zinc/21/34/54/575213454.db2.gz PTRCKQGPUVKRLW-UHFFFAOYSA-N 0 3 330.453 3.370 10 10 EGCEHN Cc1cc(N(C)C)ccc1CNC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000734528758 575509741 /nfs/dbraw/zinc/50/97/41/575509741.db2.gz CROOCMGFWKQESR-CALCHBBNSA-N 0 3 346.519 3.123 10 10 EGCEHN COc1ccc(N2CC[C@H](N[C@@H](C)c3cccc(O)c3F)C2)cc1 ZINC000872085854 1296725997 /nfs/dbraw/zinc/72/59/97/1296725997.db2.gz RIOQUXFICRILFH-KBPBESRZSA-N 0 3 330.403 3.469 10 10 EGCEHN Cc1cc(C)c([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c([O-])c1 ZINC000872118476 1296743315 /nfs/dbraw/zinc/74/33/15/1296743315.db2.gz AKCLNSQUFBQDIE-WZYMTQMTSA-N 0 3 337.485 3.015 10 10 EGCEHN CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651501 1300651737 /nfs/dbraw/zinc/65/17/37/1300651737.db2.gz YNLVQMVJDBEHDO-QWHCGFSZSA-N 0 3 326.396 3.273 10 10 EGCEHN C[C@H](N[C@H]1CCN(C2CCC2)C1=O)c1ccc(N2CCCCC2)cc1 ZINC000858602467 1328806222 /nfs/dbraw/zinc/80/62/22/1328806222.db2.gz ADKSGEHUWOMCKE-JXFKEZNVSA-N 0 3 341.499 3.481 10 10 EGCEHN C[C@@H]1C[C@H](N(C)Cc2c([O-])cccc2Br)CC[N@@H+]1C ZINC000862248594 1329470889 /nfs/dbraw/zinc/47/08/89/1329470889.db2.gz NNSCHSCZUZXNJW-VXGBXAGGSA-N 0 3 327.266 3.069 10 10 EGCEHN C[C@@H]1C[C@H](N(C)Cc2c([O-])cccc2Br)CC[N@H+]1C ZINC000862248594 1329470891 /nfs/dbraw/zinc/47/08/91/1329470891.db2.gz NNSCHSCZUZXNJW-VXGBXAGGSA-N 0 3 327.266 3.069 10 10 EGCEHN CN1CCN(c2ccc(CN[C@@H](CF)c3ccc(F)cc3)cc2)CC1 ZINC000865823029 1329742419 /nfs/dbraw/zinc/74/24/19/1329742419.db2.gz QVFOCAQEADVBOR-FQEVSTJZSA-N 0 3 345.437 3.378 10 10 EGCEHN CC(C)[C@]1(C)C[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001134686141 1376658713 /nfs/dbraw/zinc/65/87/13/1376658713.db2.gz BCOVXFRLXQPHEE-NSHGMRRFSA-N 0 3 331.504 3.154 10 10 EGCEHN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CN(C)CC1(C)C ZINC001156589629 1380597231 /nfs/dbraw/zinc/59/72/31/1380597231.db2.gz FYAHIEDKLJEQTD-HNNXBMFYSA-N 0 3 331.485 3.226 10 10 EGCEHN Cc1cc(CN2Cc3cccnc3N3CCC[C@@H]3C2)ccc1N(C)C ZINC001308019135 1384075279 /nfs/dbraw/zinc/07/52/79/1384075279.db2.gz XGWMVDCBGKRAPQ-LJQANCHMSA-N 0 3 336.483 3.441 10 10 EGCEHN CCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H](C)C(C)C ZINC001313420774 1384417293 /nfs/dbraw/zinc/41/72/93/1384417293.db2.gz YVHBHKVWNAUOJK-LPHOPBHVSA-N 0 3 348.535 3.431 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)C2(F)CCCC2)cc1C ZINC001321125940 1386817181 /nfs/dbraw/zinc/81/71/81/1386817181.db2.gz MICSKWHQPNHVGX-AATRIKPKSA-N 0 3 334.435 3.048 10 10 EGCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@@H](OC)C2)c1[O-] ZINC001332947335 1390221559 /nfs/dbraw/zinc/22/15/59/1390221559.db2.gz WVJVAHFWIVDMHU-MVWJERBFSA-N 0 3 344.249 3.381 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)N(C)C[C@@H]2CC2(C)C)N(C)C)cc1 ZINC001479532832 1392272360 /nfs/dbraw/zinc/27/23/60/1392272360.db2.gz DIUPIFGEAOKXJK-WMZOPIPTSA-N 0 3 346.519 3.043 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)[C@@H](C)c3ccco3)CC2)cc1C ZINC001733255036 1429405171 /nfs/dbraw/zinc/40/51/71/1429405171.db2.gz CBGZWEDKJJYXSY-HNNXBMFYSA-N 0 3 342.439 3.139 10 10 EGCEHN O=C1CCC2(CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)CCN1 ZINC000067654535 215174998 /nfs/dbraw/zinc/17/49/98/215174998.db2.gz FVJDDEPJVRVRMS-UHFFFAOYSA-N 0 3 338.451 3.428 10 10 EGCEHN CCOc1cccc(CN2CCC[C@H]2c2c(C)nn(C)c2C)c1O ZINC000122765643 454567099 /nfs/dbraw/zinc/56/70/99/454567099.db2.gz NLTHVEPCTJQPJH-INIZCTEOSA-N 0 3 329.444 3.478 10 10 EGCEHN CCOc1cccc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000122765643 454567104 /nfs/dbraw/zinc/56/71/04/454567104.db2.gz NLTHVEPCTJQPJH-INIZCTEOSA-N 0 3 329.444 3.478 10 10 EGCEHN CCOc1cccc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1[O-] ZINC000122765643 454567110 /nfs/dbraw/zinc/56/71/10/454567110.db2.gz NLTHVEPCTJQPJH-INIZCTEOSA-N 0 3 329.444 3.478 10 10 EGCEHN CCOc1cccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1[O-] ZINC000092812619 454637849 /nfs/dbraw/zinc/63/78/49/454637849.db2.gz GOEYYWVYBLTSJZ-HNNXBMFYSA-N 0 3 327.428 3.120 10 10 EGCEHN CCOc1cccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1[O-] ZINC000092812619 454637853 /nfs/dbraw/zinc/63/78/53/454637853.db2.gz GOEYYWVYBLTSJZ-HNNXBMFYSA-N 0 3 327.428 3.120 10 10 EGCEHN Cc1occc1C(=O)NC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000093009732 454670046 /nfs/dbraw/zinc/67/00/46/454670046.db2.gz VDNWGYMQYDXBCG-UHFFFAOYSA-N 0 3 341.455 3.048 10 10 EGCEHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1)OCO2 ZINC000093868386 454743351 /nfs/dbraw/zinc/74/33/51/454743351.db2.gz XZQAUMQJXCVJLT-SJORKVTESA-N 0 3 341.407 3.209 10 10 EGCEHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1)OCO2 ZINC000093868386 454743353 /nfs/dbraw/zinc/74/33/53/454743353.db2.gz XZQAUMQJXCVJLT-SJORKVTESA-N 0 3 341.407 3.209 10 10 EGCEHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000180204772 455147710 /nfs/dbraw/zinc/14/77/10/455147710.db2.gz WJYWSPCANULSLH-CQSZACIVSA-N 0 3 344.377 3.015 10 10 EGCEHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000180204772 455147713 /nfs/dbraw/zinc/14/77/13/455147713.db2.gz WJYWSPCANULSLH-CQSZACIVSA-N 0 3 344.377 3.015 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000184884848 455466742 /nfs/dbraw/zinc/46/67/42/455466742.db2.gz YETLOGCYWVAXQZ-KGLIPLIRSA-N 0 3 338.411 3.393 10 10 EGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3OC)C2)c1 ZINC000185712037 455603212 /nfs/dbraw/zinc/60/32/12/455603212.db2.gz JKEROYGRALJLNP-LSDHHAIUSA-N 0 3 342.439 3.339 10 10 EGCEHN C[C@H](CC[NH2+][C@H](C)c1cc(F)ccc1[O-])NC(=O)OC(C)(C)C ZINC000185980195 455667692 /nfs/dbraw/zinc/66/76/92/455667692.db2.gz TVMSHKJVCVKWLR-VXGBXAGGSA-N 0 3 326.412 3.485 10 10 EGCEHN CC[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccc(C)cc1[O-] ZINC000280001726 455880453 /nfs/dbraw/zinc/88/04/53/455880453.db2.gz FZTKKLFCCFUCMY-KRWDZBQOSA-N 0 3 333.453 3.215 10 10 EGCEHN Cc1cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cs1 ZINC000296349987 455915657 /nfs/dbraw/zinc/91/56/57/455915657.db2.gz IYTZSIBABQASKK-UHFFFAOYSA-N 0 3 334.460 3.447 10 10 EGCEHN COc1cc(O)c(CN[C@@H]2CCOc3c(C)cccc32)cc1OC ZINC000188010954 455979578 /nfs/dbraw/zinc/97/95/78/455979578.db2.gz SBHZTTCZVVZLNW-OAHLLOKOSA-N 0 3 329.396 3.331 10 10 EGCEHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCCN1CCOCC1 ZINC000263642533 456180137 /nfs/dbraw/zinc/18/01/37/456180137.db2.gz AITXQCMPAYPIHI-UHFFFAOYSA-N 0 3 340.467 3.261 10 10 EGCEHN CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccccc1[O-] ZINC000189033922 456206990 /nfs/dbraw/zinc/20/69/90/456206990.db2.gz ZIFCFPZDRUOKEF-MSOLQXFVSA-N 0 3 342.414 3.373 10 10 EGCEHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000282813006 456633233 /nfs/dbraw/zinc/63/32/33/456633233.db2.gz SSHPTHXEQWSGIP-HNNXBMFYSA-N 0 3 341.455 3.313 10 10 EGCEHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000282813006 456633241 /nfs/dbraw/zinc/63/32/41/456633241.db2.gz SSHPTHXEQWSGIP-HNNXBMFYSA-N 0 3 341.455 3.313 10 10 EGCEHN CCOCc1cc(CN[C@@H]2CCCc3nn(C)cc32)ccc1OC ZINC000283080687 456706502 /nfs/dbraw/zinc/70/65/02/456706502.db2.gz VPHNBERTVXZKQY-QGZVFWFLSA-N 0 3 329.444 3.132 10 10 EGCEHN Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000368358774 458030239 /nfs/dbraw/zinc/03/02/39/458030239.db2.gz YEHRJXCJEKYCBQ-KRWDZBQOSA-N 0 3 330.428 3.405 10 10 EGCEHN Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000368358774 458030246 /nfs/dbraw/zinc/03/02/46/458030246.db2.gz YEHRJXCJEKYCBQ-KRWDZBQOSA-N 0 3 330.428 3.405 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+]2CCC23CCOCC3)c1[O-] ZINC000375735182 458042625 /nfs/dbraw/zinc/04/26/25/458042625.db2.gz XOJGQINXPDBXHV-UHFFFAOYSA-N 0 3 326.234 3.218 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+]2CCC23CCOCC3)c1[O-] ZINC000375735182 458042632 /nfs/dbraw/zinc/04/26/32/458042632.db2.gz XOJGQINXPDBXHV-UHFFFAOYSA-N 0 3 326.234 3.218 10 10 EGCEHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000372772824 458331930 /nfs/dbraw/zinc/33/19/30/458331930.db2.gz NNFVLEGQIOHNIW-INIZCTEOSA-N 0 3 329.444 3.215 10 10 EGCEHN [O-]c1ccc(F)cc1C[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000373481584 458505237 /nfs/dbraw/zinc/50/52/37/458505237.db2.gz FJEBKWKMRJNBID-UHFFFAOYSA-N 0 3 346.368 3.426 10 10 EGCEHN C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)c2c1c(F)ccc2[O-] ZINC000528015727 459796478 /nfs/dbraw/zinc/79/64/78/459796478.db2.gz MNBUDVUDUJBOEJ-OCCSQVGLSA-N 0 3 334.435 3.318 10 10 EGCEHN Cc1cc(Br)cc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1[O-] ZINC000529669762 459833415 /nfs/dbraw/zinc/83/34/15/459833415.db2.gz PDODCIFASHSECU-MIJXAVMKSA-N 0 3 328.250 3.365 10 10 EGCEHN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000732165058 575241449 /nfs/dbraw/zinc/24/14/49/575241449.db2.gz CGYVVPPGUVVPIO-MRXNPFEDSA-N 0 3 343.496 3.464 10 10 EGCEHN Cc1cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccn1 ZINC000858101026 1328682598 /nfs/dbraw/zinc/68/25/98/1328682598.db2.gz XBWZRJDVPUVXEH-HOTGVXAUSA-N 0 3 343.446 3.433 10 10 EGCEHN COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCSCC2)c1[O-] ZINC000917462262 1319814942 /nfs/dbraw/zinc/81/49/42/1319814942.db2.gz LWMIRQABFWBTDB-UHFFFAOYSA-N 0 3 331.437 3.271 10 10 EGCEHN COC(=O)c1cc2ccccc2c(C[N@H+]2CCCSCC2)c1[O-] ZINC000917462262 1319814950 /nfs/dbraw/zinc/81/49/50/1319814950.db2.gz LWMIRQABFWBTDB-UHFFFAOYSA-N 0 3 331.437 3.271 10 10 EGCEHN Cc1ncc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000862283090 1329473878 /nfs/dbraw/zinc/47/38/78/1329473878.db2.gz AFXUQUFAAHEOOV-ZDUSSCGKSA-N 0 3 337.370 3.343 10 10 EGCEHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1[O-] ZINC000862529279 1329492493 /nfs/dbraw/zinc/49/24/93/1329492493.db2.gz QWLMDWUSFPSQQM-XJKSGUPXSA-N 0 3 340.261 3.058 10 10 EGCEHN Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1[O-] ZINC000862529279 1329492494 /nfs/dbraw/zinc/49/24/94/1329492494.db2.gz QWLMDWUSFPSQQM-XJKSGUPXSA-N 0 3 340.261 3.058 10 10 EGCEHN Cc1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)on1 ZINC000865478543 1329703157 /nfs/dbraw/zinc/70/31/57/1329703157.db2.gz HLSQAOKXDCBAGI-ZDUSSCGKSA-N 0 3 337.370 3.343 10 10 EGCEHN CCC[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1[O-] ZINC000866414219 1330108771 /nfs/dbraw/zinc/10/87/71/1330108771.db2.gz ARUATSYAAGVSPU-CMPLNLGQSA-N 0 3 346.265 3.365 10 10 EGCEHN COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1[O-] ZINC000866447086 1330113602 /nfs/dbraw/zinc/11/36/02/1330113602.db2.gz HMLFPJJDVFKJAM-BSTOTGJRSA-N 0 3 344.249 3.380 10 10 EGCEHN C[C@@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1O ZINC001197002552 1368729511 /nfs/dbraw/zinc/72/95/11/1368729511.db2.gz BABYLBDRIXRKLC-LLVKDONJSA-N 0 3 343.408 3.398 10 10 EGCEHN C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1[O-] ZINC001197002552 1368729517 /nfs/dbraw/zinc/72/95/17/1368729517.db2.gz BABYLBDRIXRKLC-LLVKDONJSA-N 0 3 343.408 3.398 10 10 EGCEHN Cc1cc(CN(C)[C@@H]2CCCCN(C)C2=O)ccc1N1CCCCC1 ZINC001307981761 1384067246 /nfs/dbraw/zinc/06/72/46/1384067246.db2.gz GAWJXQZGTQZBLG-HXUWFJFHSA-N 0 3 343.515 3.428 10 10 EGCEHN C[C@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1O ZINC001308009550 1384074353 /nfs/dbraw/zinc/07/43/53/1384074353.db2.gz BABYLBDRIXRKLC-NSHDSACASA-N 0 3 343.408 3.398 10 10 EGCEHN C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1[O-] ZINC001308009550 1384074359 /nfs/dbraw/zinc/07/43/59/1384074359.db2.gz BABYLBDRIXRKLC-NSHDSACASA-N 0 3 343.408 3.398 10 10 EGCEHN CN(C)c1ccc([C@H](CNC(=O)NC2(C)CCCCC2)N(C)C)cc1 ZINC001313411836 1384416773 /nfs/dbraw/zinc/41/67/73/1384416773.db2.gz JLYIFNUNYUXKLN-SFHVURJKSA-N 0 3 346.519 3.377 10 10 EGCEHN CC(C)n1cccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001180179846 1386722579 /nfs/dbraw/zinc/72/25/79/1386722579.db2.gz SWZHPSHPHRCKQZ-LJQANCHMSA-N 0 3 342.487 3.168 10 10 EGCEHN COc1ccc(CNC/C=C/CNC(=O)/C=C(\C)C2CC2)cc1C ZINC001716271641 1420590089 /nfs/dbraw/zinc/59/00/89/1420590089.db2.gz CHTSUUIQQZGMHI-GRXKYJHOSA-N 0 3 328.456 3.122 10 10 EGCEHN COc1ccc(CNC2(CNC(=O)c3ccccc3F)CC2)cc1C ZINC001723491653 1424439999 /nfs/dbraw/zinc/43/99/99/1424439999.db2.gz PVLGURJYUCRAET-UHFFFAOYSA-N 0 3 342.414 3.195 10 10 EGCEHN