smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)[nH+]1 ZINC000019799770 202021091 /nfs/dbraw/zinc/02/10/91/202021091.db2.gz STROMGIFIYNBGS-LJQANCHMSA-N 1 1 342.402 4.240 50 10 EICAMO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(OCC)c2O)no1 ZINC000021720397 202070066 /nfs/dbraw/zinc/07/00/66/202070066.db2.gz BWZLHHWKNNRWEE-KRWDZBQOSA-N 1 1 330.428 4.069 50 10 EICAMO CCCc1cc([C@@H]2CCC[N@H+]2Cc2cccc(OCC)c2O)no1 ZINC000021720397 202070069 /nfs/dbraw/zinc/07/00/69/202070069.db2.gz BWZLHHWKNNRWEE-KRWDZBQOSA-N 1 1 330.428 4.069 50 10 EICAMO Cc1c(O)c(C[N@H+]2CCC[C@@H](C)C2)cc2c3ccccc3c(=O)oc12 ZINC000005071563 563994222 /nfs/dbraw/zinc/99/42/22/563994222.db2.gz MXUUGTAPKAJVPF-CYBMUJFWSA-N 1 1 337.419 4.192 50 10 EICAMO Cc1c(O)c(C[N@@H+]2CCC[C@@H](C)C2)cc2c3ccccc3c(=O)oc12 ZINC000005071563 563994223 /nfs/dbraw/zinc/99/42/23/563994223.db2.gz MXUUGTAPKAJVPF-CYBMUJFWSA-N 1 1 337.419 4.192 50 10 EICAMO CN1CC[N@@H+](Cc2c(O)ccc3ccccc32)[C@H](c2ccccc2)C1 ZINC000058403858 564050381 /nfs/dbraw/zinc/05/03/81/564050381.db2.gz FXJFPYHJNQLXRH-NRFANRHFSA-N 1 1 332.447 4.034 50 10 EICAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c1 ZINC000012308167 563657554 /nfs/dbraw/zinc/65/75/54/563657554.db2.gz CXRIZTACARDEEP-IBGZPJMESA-N 1 1 340.467 4.094 50 10 EICAMO Cc1ccc(O)c(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(O)c2)c1 ZINC000036348726 202322408 /nfs/dbraw/zinc/32/24/08/202322408.db2.gz RQQAADUBJADPIC-JOCHJYFZSA-N 1 1 348.446 4.203 50 10 EICAMO Oc1ccccc1C[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCCO1 ZINC000096971047 563970933 /nfs/dbraw/zinc/97/09/33/563970933.db2.gz MFOBQNTXNXPVCT-AWEZNQCLSA-N 1 1 337.872 4.288 50 10 EICAMO CN1CC[N@@H+](Cc2c(O)ccc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000060842006 563981645 /nfs/dbraw/zinc/98/16/45/563981645.db2.gz FXJFPYHJNQLXRH-OAQYLSRUSA-N 1 1 332.447 4.034 50 10 EICAMO C[C@H](c1ccncc1)[N@@H+](C)C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000952971047 1049683472 /nfs/dbraw/zinc/68/34/72/1049683472.db2.gz UNLRMWCHJGQVLT-QGZVFWFLSA-N 1 1 335.495 4.232 50 10 EICAMO Oc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1cccc(F)c1 ZINC000036348266 202321453 /nfs/dbraw/zinc/32/14/53/202321453.db2.gz MKHYGLPBYRDRJG-OAQYLSRUSA-N 1 1 336.410 4.328 50 10 EICAMO Oc1ccc2c(-c3ccc(F)cc3)noc2c1C[NH+]1CCCCC1 ZINC000041511093 204044081 /nfs/dbraw/zinc/04/40/81/204044081.db2.gz PPIVGNMWQPPTAH-UHFFFAOYSA-N 1 1 326.371 4.325 50 10 EICAMO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000012386193 563659748 /nfs/dbraw/zinc/65/97/48/563659748.db2.gz XMEFQHNAHHMCFZ-MRXNPFEDSA-N 1 1 329.827 4.141 50 10 EICAMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)c1O ZINC000064984494 563957515 /nfs/dbraw/zinc/95/75/15/563957515.db2.gz GSUKGWYJRXPXAV-INIZCTEOSA-N 1 1 330.428 4.239 50 10 EICAMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1ccccc1O ZINC000095457064 564140638 /nfs/dbraw/zinc/14/06/38/564140638.db2.gz FDWYSGORFKAYGB-UHFFFAOYSA-N 1 1 335.451 4.135 50 10 EICAMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc(Br)cc2)cc1C ZINC000022310970 202083641 /nfs/dbraw/zinc/08/36/41/202083641.db2.gz TZYAAFDYVROSHE-UHFFFAOYSA-N 1 1 334.257 4.404 50 10 EICAMO CCn1c[nH+]c2cc(NCc3ccc(Br)cc3)ccc21 ZINC000000423330 563309065 /nfs/dbraw/zinc/30/90/65/563309065.db2.gz XCJUBTGJTNQTLJ-UHFFFAOYSA-N 1 1 330.229 4.431 50 10 EICAMO Cc1cc[nH+]c(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)c1 ZINC000019842966 202024277 /nfs/dbraw/zinc/02/42/77/202024277.db2.gz HXTSBGQMUPMIAB-LJQANCHMSA-N 1 1 342.402 4.240 50 10 EICAMO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)c1O ZINC000021720395 202069509 /nfs/dbraw/zinc/06/95/09/202069509.db2.gz UYDIQYSDWYVNPW-INIZCTEOSA-N 1 1 330.428 4.239 50 10 EICAMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)c1O ZINC000021720395 202069510 /nfs/dbraw/zinc/06/95/10/202069510.db2.gz UYDIQYSDWYVNPW-INIZCTEOSA-N 1 1 330.428 4.239 50 10 EICAMO O=C(c1ccsc1)c1coc2ccc(O)c(C[NH+]3CCCC3)c12 ZINC000218446118 241322893 /nfs/dbraw/zinc/32/28/93/241322893.db2.gz KFXMATBNCANAQE-UHFFFAOYSA-N 1 1 327.405 4.027 50 10 EICAMO CCC[N@@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccccc1O ZINC000058209002 563939831 /nfs/dbraw/zinc/93/98/31/563939831.db2.gz ZKRYUXIHHMGWFA-UHFFFAOYSA-N 1 1 348.446 4.396 50 10 EICAMO O=[N+]([O-])c1cccc(F)c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000089813914 564113968 /nfs/dbraw/zinc/11/39/68/564113968.db2.gz BITGYEXFLBHYCF-UHFFFAOYSA-N 1 1 344.386 4.384 50 10 EICAMO Oc1c([C@@H](c2ccccn2)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000019879777 202025183 /nfs/dbraw/zinc/02/51/83/202025183.db2.gz QLPZJTVSRZEZHY-SFHVURJKSA-N 1 1 339.826 4.174 50 10 EICAMO Oc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccccc1F ZINC000036347859 202321860 /nfs/dbraw/zinc/32/18/60/202321860.db2.gz YAXXALJCHPUBDN-NRFANRHFSA-N 1 1 336.410 4.328 50 10 EICAMO CC[C@@H]1CCCC[N@@H+]1Cc1cc2c3c(c(=O)oc2c(C)c1O)CCC3 ZINC000005025378 563993837 /nfs/dbraw/zinc/99/38/37/563993837.db2.gz AWQWVKOTJKRDMZ-OAHLLOKOSA-N 1 1 341.451 4.060 50 10 EICAMO CC[C@@H]1CCCC[N@H+]1Cc1cc2c3c(c(=O)oc2c(C)c1O)CCC3 ZINC000005025378 563993838 /nfs/dbraw/zinc/99/38/38/563993838.db2.gz AWQWVKOTJKRDMZ-OAHLLOKOSA-N 1 1 341.451 4.060 50 10 EICAMO CCCCn1c[nH+]c2cc(NCc3cc(OC)ccc3OC)ccc21 ZINC000003907441 564060360 /nfs/dbraw/zinc/06/03/60/564060360.db2.gz YLYKIVWNOZVHBG-UHFFFAOYSA-N 1 1 339.439 4.466 50 10 EICAMO CCCCN1CCCc2cc(CNCCC[NH+](CC)CC)ccc21 ZINC000032919776 202241858 /nfs/dbraw/zinc/24/18/58/202241858.db2.gz YWPRAKNWNJNTJD-UHFFFAOYSA-N 1 1 331.548 4.061 50 10 EICAMO COc1ccc(CNc2ccc3c(c2)[nH+]cn3C(C)(C)C)c(OC)c1 ZINC000000423353 563998325 /nfs/dbraw/zinc/99/83/25/563998325.db2.gz XVAQHYHGALBJPR-UHFFFAOYSA-N 1 1 339.439 4.421 50 10 EICAMO COc1ccc(C[N@@H+](C)Cc2c(O)ccc3ccc(OC)cc32)cc1 ZINC000006209152 564082954 /nfs/dbraw/zinc/08/29/54/564082954.db2.gz IJHFMPSYAFWFNE-UHFFFAOYSA-N 1 1 337.419 4.195 50 10 EICAMO Cc1cnc(C)c(-c2ccc(O)c(C[N@@H+](C)CCc3ccccc3)c2)n1 ZINC000012159262 211308913 /nfs/dbraw/zinc/30/89/13/211308913.db2.gz ISUITFQSMYOOAD-UHFFFAOYSA-N 1 1 347.462 4.141 50 10 EICAMO CC[C@H]1CCCC[N@H+]1Cc1cc(-c2nc(C)cnc2C)ccc1O ZINC000011881552 211264133 /nfs/dbraw/zinc/26/41/33/211264133.db2.gz FODYTSYRVHIWNM-SFHVURJKSA-N 1 1 325.456 4.231 50 10 EICAMO C[N@@H+](Cc1cc(Br)c2cccnc2c1O)C1CCCCC1 ZINC000020219916 212113490 /nfs/dbraw/zinc/11/34/90/212113490.db2.gz XIGQYZKYZRGFSZ-UHFFFAOYSA-N 1 1 349.272 4.467 50 10 EICAMO C[N@H+](Cc1cc(Br)c2cccnc2c1O)C1CCCCC1 ZINC000020219916 212113488 /nfs/dbraw/zinc/11/34/88/212113488.db2.gz XIGQYZKYZRGFSZ-UHFFFAOYSA-N 1 1 349.272 4.467 50 10 EICAMO Oc1ccccc1C[N@@H+](Cc1nnc(C2CCC2)o1)C1CCCCC1 ZINC000079099968 217193005 /nfs/dbraw/zinc/19/30/05/217193005.db2.gz QWDPHHYQBKYASN-UHFFFAOYSA-N 1 1 341.455 4.378 50 10 EICAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000012430581 211377164 /nfs/dbraw/zinc/37/71/64/211377164.db2.gz GKJBBNOCBFQAGQ-INIZCTEOSA-N 1 1 343.854 4.449 50 10 EICAMO CCOc1cccc(C[N@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)c1O ZINC000014978106 563770054 /nfs/dbraw/zinc/77/00/54/563770054.db2.gz QIYHVJLTZJMTPI-GOSISDBHSA-N 1 1 344.430 4.007 50 10 EICAMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000097032710 563966832 /nfs/dbraw/zinc/96/68/32/563966832.db2.gz NPFXBDKQBYXHSC-QGZVFWFLSA-N 1 1 341.842 4.269 50 10 EICAMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1c(O)cccc1Cl ZINC000097032710 563966833 /nfs/dbraw/zinc/96/68/33/563966833.db2.gz NPFXBDKQBYXHSC-QGZVFWFLSA-N 1 1 341.842 4.269 50 10 EICAMO COc1ccc(-n2c(C)cc(C(=O)C[NH+]3CCC(C)CC3)c2C)cc1 ZINC000000089245 563976464 /nfs/dbraw/zinc/97/64/64/563976464.db2.gz XBPRYEAHZAXLQD-UHFFFAOYSA-N 1 1 340.467 4.017 50 10 EICAMO C[N@H+](Cc1cc2c(cc1O)OCO2)Cc1cccc(Cl)c1Cl ZINC000016352450 564082240 /nfs/dbraw/zinc/08/22/40/564082240.db2.gz RTUAMOCTGRMFQK-UHFFFAOYSA-N 1 1 340.206 4.060 50 10 EICAMO C[N@@H+](Cc1cc2c(cc1O)OCO2)Cc1cccc(Cl)c1Cl ZINC000016352450 564082241 /nfs/dbraw/zinc/08/22/41/564082241.db2.gz RTUAMOCTGRMFQK-UHFFFAOYSA-N 1 1 340.206 4.060 50 10 EICAMO CCCCn1c[nH+]c2cc(NCc3cccc(OC)c3OC)ccc21 ZINC000003907443 210091729 /nfs/dbraw/zinc/09/17/29/210091729.db2.gz AEVQTRVSKDZNJP-UHFFFAOYSA-N 1 1 339.439 4.466 50 10 EICAMO Cc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2O)c1 ZINC000036348415 213086925 /nfs/dbraw/zinc/08/69/25/213086925.db2.gz IOLSCKFDYFQAHD-JOCHJYFZSA-N 1 1 332.447 4.497 50 10 EICAMO Cc1cc(O)c(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1C ZINC000089570305 258066063 /nfs/dbraw/zinc/06/60/63/258066063.db2.gz IBTMTAXWFKNHCE-HXUWFJFHSA-N 1 1 343.442 4.329 50 10 EICAMO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000097032709 563966813 /nfs/dbraw/zinc/96/68/13/563966813.db2.gz NPFXBDKQBYXHSC-KRWDZBQOSA-N 1 1 341.842 4.269 50 10 EICAMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1c(O)cccc1Cl ZINC000097032709 563966814 /nfs/dbraw/zinc/96/68/14/563966814.db2.gz NPFXBDKQBYXHSC-KRWDZBQOSA-N 1 1 341.842 4.269 50 10 EICAMO C[N@H+]1CCC[C@H](NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000252475370 564118985 /nfs/dbraw/zinc/11/89/85/564118985.db2.gz ZCSYDWLTHVOBJU-SFHVURJKSA-N 1 1 337.427 4.318 50 10 EICAMO Cc1cc(C(=O)C[NH+]2CCC(C)CC2)c(C)n1-c1ccccc1F ZINC000003243105 564156510 /nfs/dbraw/zinc/15/65/10/564156510.db2.gz WVBWCGCTOWVHQS-UHFFFAOYSA-N 1 1 328.431 4.148 50 10 EICAMO Cc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2O)c1 ZINC000036348416 213087067 /nfs/dbraw/zinc/08/70/67/213087067.db2.gz IOLSCKFDYFQAHD-QFIPXVFZSA-N 1 1 332.447 4.497 50 10 EICAMO CC[NH+](CC)Cc1c2c(C(=O)c3cccs3)coc2ccc1O ZINC000019782309 212066182 /nfs/dbraw/zinc/06/61/82/212066182.db2.gz QKNLCZWCNFDPBB-UHFFFAOYSA-N 1 1 329.421 4.273 50 10 EICAMO CCCC[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2ccccc2O1 ZINC000011871546 211261334 /nfs/dbraw/zinc/26/13/34/211261334.db2.gz ZEYGAZCZRLTUGQ-GOSISDBHSA-N 1 1 341.451 4.354 50 10 EICAMO COc1ccc2ccc(O)c(C[N@H+]3CCc4sccc4C3)c2c1 ZINC000014309886 563983927 /nfs/dbraw/zinc/98/39/27/563983927.db2.gz HNYCOLWGKCMPFQ-UHFFFAOYSA-N 1 1 325.433 4.174 50 10 EICAMO CCCC[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2ccc(=O)oc21 ZINC000015833992 564076149 /nfs/dbraw/zinc/07/61/49/564076149.db2.gz PHMFHCHYRTZBLL-UHFFFAOYSA-N 1 1 337.419 4.301 50 10 EICAMO Cc1cc(O)c(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1C ZINC000065188359 564102556 /nfs/dbraw/zinc/10/25/56/564102556.db2.gz IBTMTAXWFKNHCE-FQEVSTJZSA-N 1 1 343.442 4.329 50 10 EICAMO Cc1cnc(C)c(-c2ccc(O)c(C[N@@H+](C)Cc3ccsc3)c2)n1 ZINC000011971989 1043819163 /nfs/dbraw/zinc/81/91/63/1043819163.db2.gz OJUWLTKCWJESBC-UHFFFAOYSA-N 1 1 339.464 4.160 50 10 EICAMO CC(C)c1ccc(/C=C2/SC(=S)N(C[NH+]3CCCC3)C2=O)cc1 ZINC000019830892 212073340 /nfs/dbraw/zinc/07/33/40/212073340.db2.gz HDRVTBATPAAWSM-LFIBNONCSA-N 1 1 346.521 4.065 50 10 EICAMO Cc1cccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)[nH+]1 ZINC000019799769 212070287 /nfs/dbraw/zinc/07/02/87/212070287.db2.gz STROMGIFIYNBGS-IBGZPJMESA-N 1 1 342.402 4.240 50 10 EICAMO Cc1cccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)[nH+]1 ZINC000019794066 212069401 /nfs/dbraw/zinc/06/94/01/212069401.db2.gz KRJJOESORRXLIL-HXUWFJFHSA-N 1 1 342.402 4.240 50 10 EICAMO Oc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071750741 563965139 /nfs/dbraw/zinc/96/51/39/563965139.db2.gz HYPAWVIUIHXCOK-QGZVFWFLSA-N 1 1 338.234 4.273 50 10 EICAMO Oc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071750741 563965140 /nfs/dbraw/zinc/96/51/40/563965140.db2.gz HYPAWVIUIHXCOK-QGZVFWFLSA-N 1 1 338.234 4.273 50 10 EICAMO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000020998030 212198219 /nfs/dbraw/zinc/19/82/19/212198219.db2.gz OJZNDYYGELVBFZ-CQSZACIVSA-N 1 1 347.890 4.347 50 10 EICAMO Oc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccccc1F ZINC000036347860 213086880 /nfs/dbraw/zinc/08/68/80/213086880.db2.gz YAXXALJCHPUBDN-OAQYLSRUSA-N 1 1 336.410 4.328 50 10 EICAMO Cc1cccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)[nH+]1 ZINC000021729068 212246333 /nfs/dbraw/zinc/24/63/33/212246333.db2.gz LFZRZBCBGYZINQ-LJQANCHMSA-N 1 1 342.402 4.240 50 10 EICAMO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)c1 ZINC000020910898 212186626 /nfs/dbraw/zinc/18/66/26/212186626.db2.gz CAKOVQVFGMLQHH-LJQANCHMSA-N 1 1 347.462 4.470 50 10 EICAMO CC[N@@H+](Cc1ccccc1)Cc1cc(-c2cccc(OC)n2)ccc1O ZINC000012130363 211302130 /nfs/dbraw/zinc/30/21/30/211302130.db2.gz HYMNVMZIRTTXAD-UHFFFAOYSA-N 1 1 348.446 4.485 50 10 EICAMO CC[C@@H]1CCCC[N@H+]1Cc1cc(-c2nc(C)cnc2C)ccc1O ZINC000011881551 211264793 /nfs/dbraw/zinc/26/47/93/211264793.db2.gz FODYTSYRVHIWNM-GOSISDBHSA-N 1 1 325.456 4.231 50 10 EICAMO Cc1cc(C(=O)C[NH+]2CCCCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000000038282 563968615 /nfs/dbraw/zinc/96/86/15/563968615.db2.gz VXQIPRWKLACSKZ-UHFFFAOYSA-N 1 1 330.859 4.416 50 10 EICAMO Cc1ccc(O)c(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(O)c2)c1 ZINC000036348725 213086604 /nfs/dbraw/zinc/08/66/04/213086604.db2.gz RQQAADUBJADPIC-QFIPXVFZSA-N 1 1 348.446 4.203 50 10 EICAMO Cc1cc[nH+]c(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)c1 ZINC000019842965 212075411 /nfs/dbraw/zinc/07/54/11/212075411.db2.gz HXTSBGQMUPMIAB-IBGZPJMESA-N 1 1 342.402 4.240 50 10 EICAMO COc1ccc(C[N@@H+](C)Cc2cc(C(C)C)c(C)cc2O)cc1OC ZINC000010026471 211142584 /nfs/dbraw/zinc/14/25/84/211142584.db2.gz KHCNKMOFPZGNOR-UHFFFAOYSA-N 1 1 343.467 4.473 50 10 EICAMO Oc1ccc(-c2cncnc2)cc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000014972627 563769666 /nfs/dbraw/zinc/76/96/66/563769666.db2.gz AVPWLDFJLBGAQX-UHFFFAOYSA-N 1 1 343.430 4.139 50 10 EICAMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1O)c2NCc1ccccc1O ZINC000035616538 564129186 /nfs/dbraw/zinc/12/91/86/564129186.db2.gz OGKWFXFXFRTWAX-UHFFFAOYSA-N 1 1 345.402 4.333 50 10 EICAMO CCCn1c[nH+]c2cc(NCc3cc(OC)ccc3OC)ccc21 ZINC000003907440 210091016 /nfs/dbraw/zinc/09/10/16/210091016.db2.gz HGQXBBKHOFQNDC-UHFFFAOYSA-N 1 1 325.412 4.076 50 10 EICAMO O=C(c1cccs1)c1coc2ccc(O)c(C[NH+]3CCCCC3)c12 ZINC000019830690 212072989 /nfs/dbraw/zinc/07/29/89/212072989.db2.gz PEDQWDLNCXEXQQ-UHFFFAOYSA-N 1 1 341.432 4.417 50 10 EICAMO CC(=O)c1cc(F)cc(C[N@H+](Cc2ccc(F)cc2)C2CC2)c1O ZINC000072312038 563920243 /nfs/dbraw/zinc/92/02/43/563920243.db2.gz JFJMBFPIORMKNW-UHFFFAOYSA-N 1 1 331.362 4.038 50 10 EICAMO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1O ZINC000072312038 563920244 /nfs/dbraw/zinc/92/02/44/563920244.db2.gz JFJMBFPIORMKNW-UHFFFAOYSA-N 1 1 331.362 4.038 50 10 EICAMO COc1cccc(CNc2ccc3c(c2)[nH+]cn3C(C)(C)C)c1OC ZINC000000423356 563998321 /nfs/dbraw/zinc/99/83/21/563998321.db2.gz OEKUITYKRIDGLX-UHFFFAOYSA-N 1 1 339.439 4.421 50 10 EICAMO COc1ccc(CNc2ccc3c(c2)[nH+]cn3C(C)(C)C)cc1OC ZINC000000423358 563998350 /nfs/dbraw/zinc/99/83/50/563998350.db2.gz RDSXAWMEEZCDBV-UHFFFAOYSA-N 1 1 339.439 4.421 50 10 EICAMO CCC[NH2+]Cc1c(O)c(CC)cc2c(-c3ccccc3)cc(=O)oc21 ZINC000822959971 1044201454 /nfs/dbraw/zinc/20/14/54/1044201454.db2.gz QTQQJZMURWCFFH-UHFFFAOYSA-N 1 1 337.419 4.228 50 10 EICAMO Oc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1cccc(F)c1 ZINC000036348265 213086861 /nfs/dbraw/zinc/08/68/61/213086861.db2.gz MKHYGLPBYRDRJG-NRFANRHFSA-N 1 1 336.410 4.328 50 10 EICAMO Cc1c(O)c(C[NH+]2CCCCC2)cc2c(-c3ccccc3)cc(=O)oc12 ZINC000000046577 209389504 /nfs/dbraw/zinc/38/95/04/209389504.db2.gz FCBRJEBOCJJWKX-UHFFFAOYSA-N 1 1 349.430 4.460 50 10 EICAMO CCCn1c[nH+]c2cc(NCc3ccc(OC)cc3OC)ccc21 ZINC000001062865 563372185 /nfs/dbraw/zinc/37/21/85/563372185.db2.gz FGSAIFMDWKPIBH-UHFFFAOYSA-N 1 1 325.412 4.076 50 10 EICAMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000083980063 564065514 /nfs/dbraw/zinc/06/55/14/564065514.db2.gz VVNVXCMDZDJYPQ-FQEVSTJZSA-N 1 1 337.463 4.097 50 10 EICAMO O=C(c1ccco1)c1coc2ccc(O)c(C[NH+]3CCCCCC3)c12 ZINC000217941659 241285454 /nfs/dbraw/zinc/28/54/54/241285454.db2.gz QGPLIZSLQMQXRD-UHFFFAOYSA-N 1 1 339.391 4.338 50 10 EICAMO O=C(c1ccsc1)c1coc2ccc(O)c(C[NH+]3CCCCC3)c12 ZINC000218544755 241331045 /nfs/dbraw/zinc/33/10/45/241331045.db2.gz INKQJQQONHSHNL-UHFFFAOYSA-N 1 1 341.432 4.417 50 10 EICAMO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3ccccc3O)C2)c1 ZINC000020910901 212186715 /nfs/dbraw/zinc/18/67/15/212186715.db2.gz CAKOVQVFGMLQHH-IBGZPJMESA-N 1 1 347.462 4.470 50 10 EICAMO C[N@@H+](Cc1ccccc1)[C@H](c1ccccc1)c1cc2c(cc1O)OCO2 ZINC000020761945 212170606 /nfs/dbraw/zinc/17/06/06/212170606.db2.gz TVABVMJFVZRKFT-JOCHJYFZSA-N 1 1 347.414 4.342 50 10 biogenic EICAMO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000012430580 211377230 /nfs/dbraw/zinc/37/72/30/211377230.db2.gz GKJBBNOCBFQAGQ-MRXNPFEDSA-N 1 1 343.854 4.449 50 10 EICAMO Cc1cc(C(=O)C[N@H+]2CCC[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000003257459 564058758 /nfs/dbraw/zinc/05/87/58/564058758.db2.gz YROVKHWEZGOCDG-AWEZNQCLSA-N 1 1 328.431 4.148 50 10 EICAMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000003257459 564058759 /nfs/dbraw/zinc/05/87/59/564058759.db2.gz YROVKHWEZGOCDG-AWEZNQCLSA-N 1 1 328.431 4.148 50 10 EICAMO CCCc1cc([C@H]2CCC[N@@H+]2Cc2cccc(OCC)c2O)no1 ZINC000021720399 212244696 /nfs/dbraw/zinc/24/46/96/212244696.db2.gz BWZLHHWKNNRWEE-QGZVFWFLSA-N 1 1 330.428 4.069 50 10 EICAMO CCCc1cc([C@H]2CCC[N@H+]2Cc2cccc(OCC)c2O)no1 ZINC000021720399 212244697 /nfs/dbraw/zinc/24/46/97/212244697.db2.gz BWZLHHWKNNRWEE-QGZVFWFLSA-N 1 1 330.428 4.069 50 10 EICAMO Cc1cc[nH+]c(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)c1 ZINC000019851401 212076823 /nfs/dbraw/zinc/07/68/23/212076823.db2.gz IOQCYUYXGUSASM-HXUWFJFHSA-N 1 1 342.402 4.240 50 10 EICAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)cc1 ZINC000012209167 211320631 /nfs/dbraw/zinc/32/06/31/211320631.db2.gz CUACFPHCWCCSRJ-QGZVFWFLSA-N 1 1 341.476 4.209 50 10 EICAMO CCOc1cccc(C[N@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)c1O ZINC000014978109 563770031 /nfs/dbraw/zinc/77/00/31/563770031.db2.gz QIYHVJLTZJMTPI-SFHVURJKSA-N 1 1 344.430 4.007 50 10 EICAMO Cc1cc(O)c(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1C ZINC000060112638 563949647 /nfs/dbraw/zinc/94/96/47/563949647.db2.gz SSEBVWOGKAMEEX-FQEVSTJZSA-N 1 1 325.452 4.190 50 10 EICAMO CCc1cc2c(C)cc(=O)oc2c(C[N@H+]2CCCC[C@H]2CC)c1O ZINC000000038086 563968552 /nfs/dbraw/zinc/96/85/52/563968552.db2.gz VNJQRLQPSJKPFE-OAHLLOKOSA-N 1 1 329.440 4.134 50 10 biogenic EICAMO CCc1cc2c(C)cc(=O)oc2c(C[N@@H+]2CCCC[C@H]2CC)c1O ZINC000000038086 563968553 /nfs/dbraw/zinc/96/85/53/563968553.db2.gz VNJQRLQPSJKPFE-OAHLLOKOSA-N 1 1 329.440 4.134 50 10 biogenic EICAMO COc1ccc(C[N@@H+](C)Cc2c(O)ccc3ccccc32)cc1F ZINC000012695848 564063352 /nfs/dbraw/zinc/06/33/52/564063352.db2.gz RZWGYSKXVRBCBY-UHFFFAOYSA-N 1 1 325.383 4.325 50 10 EICAMO CCCn1c[nH+]c2cc(NCc3cccc(OC)c3OC)ccc21 ZINC000003907442 210091172 /nfs/dbraw/zinc/09/11/72/210091172.db2.gz ALWBXMHQECBVPY-UHFFFAOYSA-N 1 1 325.412 4.076 50 10 EICAMO Cc1cccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)[nH+]1 ZINC000021729066 212246642 /nfs/dbraw/zinc/24/66/42/212246642.db2.gz LFZRZBCBGYZINQ-IBGZPJMESA-N 1 1 342.402 4.240 50 10 EICAMO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c1O ZINC000021720393 212244366 /nfs/dbraw/zinc/24/43/66/212244366.db2.gz UYDIQYSDWYVNPW-MRXNPFEDSA-N 1 1 330.428 4.239 50 10 EICAMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c1O ZINC000021720393 212244371 /nfs/dbraw/zinc/24/43/71/212244371.db2.gz UYDIQYSDWYVNPW-MRXNPFEDSA-N 1 1 330.428 4.239 50 10 EICAMO Cc1cc[nH+]c(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)c1 ZINC000019800004 212070327 /nfs/dbraw/zinc/07/03/27/212070327.db2.gz TVPUVEWTDLBXFX-LJQANCHMSA-N 1 1 342.402 4.240 50 10 EICAMO CCN1CC[NH+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000019635068 212053195 /nfs/dbraw/zinc/05/31/95/212053195.db2.gz KJHQYHCSHFULNP-UHFFFAOYSA-N 1 1 332.532 4.125 50 10 EICAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)c1 ZINC000012308166 211342101 /nfs/dbraw/zinc/34/21/01/211342101.db2.gz CXRIZTACARDEEP-LJQANCHMSA-N 1 1 340.467 4.094 50 10 EICAMO C[N@@H+](Cc1nc2ccccc2s1)Cc1c(O)ccc2ccncc21 ZINC000012972940 563679621 /nfs/dbraw/zinc/67/96/21/563679621.db2.gz QGHYFTIPCZPOHH-UHFFFAOYSA-N 1 1 335.432 4.182 50 10 EICAMO Oc1ccccc1C[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCCO1 ZINC000096971048 563970908 /nfs/dbraw/zinc/97/09/08/563970908.db2.gz MFOBQNTXNXPVCT-CQSZACIVSA-N 1 1 337.872 4.288 50 10 EICAMO Cc1c(C)c2cc(C[N@H+](C)Cc3ccccc3)c(O)c(C)c2oc1=O ZINC000002130595 564058369 /nfs/dbraw/zinc/05/83/69/564058369.db2.gz BJEXHFQZHGWYSI-UHFFFAOYSA-N 1 1 337.419 4.056 50 10 biogenic EICAMO Cc1c(C)c2cc(C[N@@H+](C)Cc3ccccc3)c(O)c(C)c2oc1=O ZINC000002130595 564058370 /nfs/dbraw/zinc/05/83/70/564058370.db2.gz BJEXHFQZHGWYSI-UHFFFAOYSA-N 1 1 337.419 4.056 50 10 biogenic EICAMO C[N@@H+](Cc1ccccc1)[C@@H](c1ccccc1)c1cc2c(cc1O)OCO2 ZINC000020761940 212170075 /nfs/dbraw/zinc/17/00/75/212170075.db2.gz TVABVMJFVZRKFT-QFIPXVFZSA-N 1 1 347.414 4.342 50 10 biogenic EICAMO Cc1cc[nH+]c(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)c1 ZINC000019851403 212076335 /nfs/dbraw/zinc/07/63/35/212076335.db2.gz IOQCYUYXGUSASM-FQEVSTJZSA-N 1 1 342.402 4.240 50 10 EICAMO Oc1ccc(-c2ncccn2)cc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000012279460 211333756 /nfs/dbraw/zinc/33/37/56/211333756.db2.gz VGHNTNXENJLXEU-UHFFFAOYSA-N 1 1 345.446 4.229 50 10 EICAMO COc1ccc(OC)c(CNc2ccc3c(c2)[nH+]cn3C(C)(C)C)c1 ZINC000009526205 211096457 /nfs/dbraw/zinc/09/64/57/211096457.db2.gz WNSFRJHXEZMUQD-UHFFFAOYSA-N 1 1 339.439 4.421 50 10 EICAMO COc1cccc(CNc2ccc3c(c2)[nH+]cn3C(C)C)c1OC ZINC000002434141 564002132 /nfs/dbraw/zinc/00/21/32/564002132.db2.gz DYDVHLCNSMXGGH-UHFFFAOYSA-N 1 1 325.412 4.247 50 10 EICAMO CCC(=O)c1c(Cc2ccccc2)oc2ccc(O)c(C[NH+](C)C)c21 ZINC000075279829 564081472 /nfs/dbraw/zinc/08/14/72/564081472.db2.gz SPNNYADLTQNQIV-UHFFFAOYSA-N 1 1 337.419 4.384 50 10 EICAMO COc1ccc(N2CCN(c3cc(C)c4ccc(C)cc4[nH+]3)CC2)cc1 ZINC000006826708 564098978 /nfs/dbraw/zinc/09/89/78/564098978.db2.gz YBRVBNDJOVPVFV-UHFFFAOYSA-N 1 1 347.462 4.187 50 10 EICAMO C[C@@H](c1ccncc1)[N@@H+](C)C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000952971026 1049684162 /nfs/dbraw/zinc/68/41/62/1049684162.db2.gz UNLRMWCHJGQVLT-KRWDZBQOSA-N 1 1 335.495 4.232 50 10 EICAMO CCOc1cccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1O ZINC000004986246 210349767 /nfs/dbraw/zinc/34/97/67/210349767.db2.gz SIRLJAAFUDHFSZ-UHFFFAOYSA-N 1 1 327.399 4.219 50 10 EICAMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000003257454 564156676 /nfs/dbraw/zinc/15/66/76/564156676.db2.gz YROVKHWEZGOCDG-CQSZACIVSA-N 1 1 328.431 4.148 50 10 EICAMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000003257454 564156677 /nfs/dbraw/zinc/15/66/77/564156677.db2.gz YROVKHWEZGOCDG-CQSZACIVSA-N 1 1 328.431 4.148 50 10 EICAMO C[NH+](C)Cc1c2c(ccc1O)occ2C(=O)c1ccc(Cl)cc1 ZINC000004705282 210255244 /nfs/dbraw/zinc/25/52/44/210255244.db2.gz MDJXCRQVZHPYTB-UHFFFAOYSA-N 1 1 329.783 4.084 50 10 EICAMO Oc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccc(F)cc1 ZINC000036347648 213085664 /nfs/dbraw/zinc/08/56/64/213085664.db2.gz ULMQRFZOOMDRTJ-NRFANRHFSA-N 1 1 336.410 4.328 50 10 EICAMO CCCC[C@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2ccccc2O1 ZINC000011871548 211260914 /nfs/dbraw/zinc/26/09/14/211260914.db2.gz ZEYGAZCZRLTUGQ-SFHVURJKSA-N 1 1 341.451 4.354 50 10 EICAMO CCc1cc2c(-c3ccccc3)cc(=O)oc2c(C[NH+]2CCCC2)c1O ZINC000000406879 564000179 /nfs/dbraw/zinc/00/01/79/564000179.db2.gz NZYIMYYVGKUQJI-UHFFFAOYSA-N 1 1 349.430 4.324 50 10 EICAMO COc1ccc(C[N@@H+](C)Cc2c(O)ccc3ccccc32)cc1OC ZINC000006865360 564100069 /nfs/dbraw/zinc/10/00/69/564100069.db2.gz XURXIVHYFHEUAX-UHFFFAOYSA-N 1 1 337.419 4.195 50 10 EICAMO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000012386194 211365081 /nfs/dbraw/zinc/36/50/81/211365081.db2.gz XMEFQHNAHHMCFZ-INIZCTEOSA-N 1 1 329.827 4.141 50 10 EICAMO COc1ccc2ccc(O)c(C[N@@H+](C)CCOc3ccccc3)c2c1 ZINC000012747791 564065965 /nfs/dbraw/zinc/06/59/65/564065965.db2.gz MVAVGIYZDTVVEU-UHFFFAOYSA-N 1 1 337.419 4.065 50 10 EICAMO CC[NH+](CC)Cc1cc2c(-c3ccccc3)cc(=O)oc2c(C)c1O ZINC000001518808 564075848 /nfs/dbraw/zinc/07/58/48/564075848.db2.gz KFPDTXWFANKHOR-UHFFFAOYSA-N 1 1 337.419 4.316 50 10 EICAMO CCc1cc(=O)oc2c(C)c([O-])c(C[N@@H+]3CCCC[C@H]3CC)cc12 ZINC000002338101 564132385 /nfs/dbraw/zinc/13/23/85/564132385.db2.gz GQKQPVJSXMKLEX-MRXNPFEDSA-N 1 1 329.440 4.134 50 10 EICAMO CCc1cc(=O)oc2c(C)c(O)c(C[N@H+]3CCCC[C@H]3CC)cc12 ZINC000002338101 564132386 /nfs/dbraw/zinc/13/23/86/564132386.db2.gz GQKQPVJSXMKLEX-MRXNPFEDSA-N 1 1 329.440 4.134 50 10 EICAMO CCc1cc(=O)oc2c(C)c(O)c(C[N@@H+]3CCCC[C@H]3CC)cc12 ZINC000002338101 564132387 /nfs/dbraw/zinc/13/23/87/564132387.db2.gz GQKQPVJSXMKLEX-MRXNPFEDSA-N 1 1 329.440 4.134 50 10 EICAMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000054571716 214245041 /nfs/dbraw/zinc/24/50/41/214245041.db2.gz LLPIBFANVRFTBR-UHFFFAOYSA-N 1 1 346.430 4.062 50 10 EICAMO Cc1ccsc1C[N@H+](Cc1ccccn1)Cc1cccc(F)c1O ZINC000055371526 214313729 /nfs/dbraw/zinc/31/37/29/214313729.db2.gz FPHVFUHHVNNCHJ-UHFFFAOYSA-N 1 1 342.439 4.499 50 10 EICAMO Cc1ccsc1C[N@@H+](Cc1ccccn1)Cc1cccc(F)c1O ZINC000055371526 214313732 /nfs/dbraw/zinc/31/37/32/214313732.db2.gz FPHVFUHHVNNCHJ-UHFFFAOYSA-N 1 1 342.439 4.499 50 10 EICAMO CC[C@H]1CCCC[N@@H+]1Cc1cc2c3c(c(=O)oc2c(C)c1O)CCC3 ZINC000005025379 210365746 /nfs/dbraw/zinc/36/57/46/210365746.db2.gz AWQWVKOTJKRDMZ-HNNXBMFYSA-N 1 1 341.451 4.060 50 10 EICAMO CC[C@H]1CCCC[N@H+]1Cc1cc2c3c(c(=O)oc2c(C)c1O)CCC3 ZINC000005025379 210365747 /nfs/dbraw/zinc/36/57/47/210365747.db2.gz AWQWVKOTJKRDMZ-HNNXBMFYSA-N 1 1 341.451 4.060 50 10 EICAMO Cc1cc(C(=O)C[NH+]2CCC(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000000038234 208555068 /nfs/dbraw/zinc/55/50/68/208555068.db2.gz JZCVNTHDAGQJFQ-UHFFFAOYSA-N 1 1 328.431 4.148 50 10 EICAMO CCC[N@@H+](Cc1cc(-c2nc(C)cnc2C)ccc1O)CC1CC1 ZINC000014884222 563766524 /nfs/dbraw/zinc/76/65/24/563766524.db2.gz XHZNPULSSNSNAM-UHFFFAOYSA-N 1 1 325.456 4.088 50 10 EICAMO CCC[N@H+](Cc1cc(-c2nc(C)cnc2C)ccc1O)CC1CC1 ZINC000014884222 563766529 /nfs/dbraw/zinc/76/65/29/563766529.db2.gz XHZNPULSSNSNAM-UHFFFAOYSA-N 1 1 325.456 4.088 50 10 EICAMO O=C(c1coc2ccc(O)c(C[NH+]3CCCC3)c12)c1ccc(F)cc1 ZINC000253405333 568422849 /nfs/dbraw/zinc/42/28/49/568422849.db2.gz IGBMHCFUGVRRLD-UHFFFAOYSA-N 1 1 339.366 4.104 50 10 EICAMO Oc1c([C@H](c2ccccn2)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000019879775 212078914 /nfs/dbraw/zinc/07/89/14/212078914.db2.gz QLPZJTVSRZEZHY-GOSISDBHSA-N 1 1 339.826 4.174 50 10 EICAMO Cc1cccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)[nH+]1 ZINC000019794067 212068477 /nfs/dbraw/zinc/06/84/77/212068477.db2.gz KRJJOESORRXLIL-FQEVSTJZSA-N 1 1 342.402 4.240 50 10 EICAMO Cc1c(O)c(C[NH+]2CCCC2)cc2c(-c3ccccc3)cc(=O)oc12 ZINC000000116899 563232171 /nfs/dbraw/zinc/23/21/71/563232171.db2.gz XNOBCXVQLYAYND-UHFFFAOYSA-N 1 1 335.403 4.070 50 10 EICAMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c1O ZINC000064984492 563957529 /nfs/dbraw/zinc/95/75/29/563957529.db2.gz GSUKGWYJRXPXAV-MRXNPFEDSA-N 1 1 330.428 4.239 50 10 EICAMO CC[C@H]1CCCC[N@@H+]1Cc1cc2c(C)c(C)c(=O)oc2c(C)c1O ZINC000002129079 564118553 /nfs/dbraw/zinc/11/85/53/564118553.db2.gz PVFHAIYAMFDFJK-INIZCTEOSA-N 1 1 329.440 4.188 50 10 biogenic EICAMO CC[C@H]1CCCC[N@H+]1Cc1cc2c(C)c(C)c(=O)oc2c(C)c1O ZINC000002129079 564118554 /nfs/dbraw/zinc/11/85/54/564118554.db2.gz PVFHAIYAMFDFJK-INIZCTEOSA-N 1 1 329.440 4.188 50 10 biogenic EICAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3O)C2)cc1 ZINC000012209172 211321389 /nfs/dbraw/zinc/32/13/89/211321389.db2.gz CUACFPHCWCCSRJ-KRWDZBQOSA-N 1 1 341.476 4.209 50 10 EICAMO Cc1c([O-])c(C[N@@H+]2CCC[C@H](C)C2)cc2c3ccccc3c(=O)oc12 ZINC000005071561 210383958 /nfs/dbraw/zinc/38/39/58/210383958.db2.gz MXUUGTAPKAJVPF-ZDUSSCGKSA-N 1 1 337.419 4.192 50 10 EICAMO Cc1c(O)c(C[N@H+]2CCC[C@H](C)C2)cc2c3ccccc3c(=O)oc12 ZINC000005071561 210383963 /nfs/dbraw/zinc/38/39/63/210383963.db2.gz MXUUGTAPKAJVPF-ZDUSSCGKSA-N 1 1 337.419 4.192 50 10 EICAMO Cc1c(O)c(C[N@@H+]2CCC[C@H](C)C2)cc2c3ccccc3c(=O)oc12 ZINC000005071561 210383966 /nfs/dbraw/zinc/38/39/66/210383966.db2.gz MXUUGTAPKAJVPF-ZDUSSCGKSA-N 1 1 337.419 4.192 50 10 EICAMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1C(C)C ZINC000014095425 563740438 /nfs/dbraw/zinc/74/04/38/563740438.db2.gz SAQFWVUMOZQWES-UHFFFAOYSA-N 1 1 327.424 4.185 50 10 EICAMO Cc1cc(O)c(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1C ZINC000060112639 563949670 /nfs/dbraw/zinc/94/96/70/563949670.db2.gz SSEBVWOGKAMEEX-HXUWFJFHSA-N 1 1 325.452 4.190 50 10 EICAMO C[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000252475369 564118981 /nfs/dbraw/zinc/11/89/81/564118981.db2.gz ZCSYDWLTHVOBJU-GOSISDBHSA-N 1 1 337.427 4.318 50 10 EICAMO CCc1cc(=O)oc2c(C)c([O-])c(C[N@@H+]3CCCC[C@@H]3CC)cc12 ZINC000002338103 564132376 /nfs/dbraw/zinc/13/23/76/564132376.db2.gz GQKQPVJSXMKLEX-INIZCTEOSA-N 1 1 329.440 4.134 50 10 EICAMO CCc1cc(=O)oc2c(C)c(O)c(C[N@H+]3CCCC[C@@H]3CC)cc12 ZINC000002338103 564132377 /nfs/dbraw/zinc/13/23/77/564132377.db2.gz GQKQPVJSXMKLEX-INIZCTEOSA-N 1 1 329.440 4.134 50 10 EICAMO CCc1cc(=O)oc2c(C)c(O)c(C[N@@H+]3CCCC[C@@H]3CC)cc12 ZINC000002338103 564132378 /nfs/dbraw/zinc/13/23/78/564132378.db2.gz GQKQPVJSXMKLEX-INIZCTEOSA-N 1 1 329.440 4.134 50 10 EICAMO C[N@@H+](CCc1ccccn1)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC000011913440 1043611632 /nfs/dbraw/zinc/61/16/32/1043611632.db2.gz HXICMUJJPZOJPM-UHFFFAOYSA-N 1 1 336.410 4.268 50 10 EICAMO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000020998032 212198184 /nfs/dbraw/zinc/19/81/84/212198184.db2.gz OJZNDYYGELVBFZ-AWEZNQCLSA-N 1 1 347.890 4.347 50 10 EICAMO Cc1cc[nH+]c(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)c1 ZINC000019800002 212069552 /nfs/dbraw/zinc/06/95/52/212069552.db2.gz TVPUVEWTDLBXFX-IBGZPJMESA-N 1 1 342.402 4.240 50 10 EICAMO COc1ccc(OCC[N@@H+](C)Cc2cc(C(C)C)c(C)cc2O)cc1 ZINC000014077902 563738034 /nfs/dbraw/zinc/73/80/34/563738034.db2.gz WKNBPSZQBNGCNY-UHFFFAOYSA-N 1 1 343.467 4.343 50 10 EICAMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000058540085 563946872 /nfs/dbraw/zinc/94/68/72/563946872.db2.gz VVNVXCMDZDJYPQ-HXUWFJFHSA-N 1 1 337.463 4.097 50 10 EICAMO Oc1ccccc1C[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071750740 563965092 /nfs/dbraw/zinc/96/50/92/563965092.db2.gz HYPAWVIUIHXCOK-KRWDZBQOSA-N 1 1 338.234 4.273 50 10 EICAMO Oc1ccccc1C[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071750740 563965093 /nfs/dbraw/zinc/96/50/93/563965093.db2.gz HYPAWVIUIHXCOK-KRWDZBQOSA-N 1 1 338.234 4.273 50 10 EICAMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1c(O)ccc2ccccc21 ZINC000008187523 564163391 /nfs/dbraw/zinc/16/33/91/564163391.db2.gz FVPQHOLZHFWZEA-UHFFFAOYSA-N 1 1 343.430 4.363 50 10 EICAMO Oc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccc(F)cc1 ZINC000036347649 213085445 /nfs/dbraw/zinc/08/54/45/213085445.db2.gz ULMQRFZOOMDRTJ-OAQYLSRUSA-N 1 1 336.410 4.328 50 10 EICAMO CCn1c[nH+]c2cc(NCc3cccc(Br)c3)ccc21 ZINC000006785634 564097711 /nfs/dbraw/zinc/09/77/11/564097711.db2.gz IKQDUTARGQQXLA-UHFFFAOYSA-N 1 1 330.229 4.431 50 10 EICAMO COc1cccc(-c2ccc(O)c(C[N@@H+](C)Cc3cccs3)c2)n1 ZINC000059343265 563948063 /nfs/dbraw/zinc/94/80/63/563948063.db2.gz ZXNGMQWDFJYLEP-UHFFFAOYSA-N 1 1 340.448 4.156 50 10 EICAMO CCc1cc2c(C)cc(=O)oc2c(C[N@H+]2CCCC[C@@H]2CC)c1O ZINC000000038088 563968577 /nfs/dbraw/zinc/96/85/77/563968577.db2.gz VNJQRLQPSJKPFE-HNNXBMFYSA-N 1 1 329.440 4.134 50 10 biogenic EICAMO CCc1cc2c(C)cc(=O)oc2c(C[N@@H+]2CCCC[C@@H]2CC)c1O ZINC000000038088 563968578 /nfs/dbraw/zinc/96/85/78/563968578.db2.gz VNJQRLQPSJKPFE-HNNXBMFYSA-N 1 1 329.440 4.134 50 10 biogenic EICAMO CCOc1ccc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)cc1OC ZINC000006209154 564082950 /nfs/dbraw/zinc/08/29/50/564082950.db2.gz MOEOPAGPYMBBTC-UHFFFAOYSA-N 1 1 329.440 4.048 50 10 EICAMO O=C(c1coc2ccc(O)c(C[NH+]3CCCCC3)c12)c1ccccc1 ZINC000253403688 564086970 /nfs/dbraw/zinc/08/69/70/564086970.db2.gz HICUMWQCNKZANY-UHFFFAOYSA-N 1 1 335.403 4.355 50 10 EICAMO CCCCn1c[nH+]c2cc(NCc3cccc(OC)c3O)ccc21 ZINC000002339815 564132421 /nfs/dbraw/zinc/13/24/21/564132421.db2.gz DEJAGSZFGHVFBM-UHFFFAOYSA-N 1 1 325.412 4.163 50 10 EICAMO COc1cccc(O)c1C[N@H+](Cc1ccsc1)Cc1cccnc1 ZINC000055211260 214287923 /nfs/dbraw/zinc/28/79/23/214287923.db2.gz LIVZXSJWBNCBJT-UHFFFAOYSA-N 1 1 340.448 4.060 50 10 EICAMO COc1cccc(O)c1C[N@@H+](Cc1ccsc1)Cc1cccnc1 ZINC000055211260 214287927 /nfs/dbraw/zinc/28/79/27/214287927.db2.gz LIVZXSJWBNCBJT-UHFFFAOYSA-N 1 1 340.448 4.060 50 10 EICAMO CCCn1c[nH+]c2cc(NCc3ccc(OC)c(OC)c3)ccc21 ZINC000003907444 210091448 /nfs/dbraw/zinc/09/14/48/210091448.db2.gz URGLLWPELGVBME-UHFFFAOYSA-N 1 1 325.412 4.076 50 10 EICAMO CN1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000019633688 212052760 /nfs/dbraw/zinc/05/27/60/212052760.db2.gz DGFSWEOKYOZFNF-UHFFFAOYSA-N 1 1 332.532 4.125 50 10 EICAMO C[N@@H+]1CCCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000019633688 212052763 /nfs/dbraw/zinc/05/27/63/212052763.db2.gz DGFSWEOKYOZFNF-UHFFFAOYSA-N 1 1 332.532 4.125 50 10 EICAMO C[N@H+]1CCCN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000019633688 212052765 /nfs/dbraw/zinc/05/27/65/212052765.db2.gz DGFSWEOKYOZFNF-UHFFFAOYSA-N 1 1 332.532 4.125 50 10 EICAMO CC[C@@H]1CCCC[N@@H+]1Cc1cc2c(C)c(C)c(=O)oc2c(C)c1O ZINC000002129080 564118541 /nfs/dbraw/zinc/11/85/41/564118541.db2.gz PVFHAIYAMFDFJK-MRXNPFEDSA-N 1 1 329.440 4.188 50 10 biogenic EICAMO CC[C@@H]1CCCC[N@H+]1Cc1cc2c(C)c(C)c(=O)oc2c(C)c1O ZINC000002129080 564118542 /nfs/dbraw/zinc/11/85/42/564118542.db2.gz PVFHAIYAMFDFJK-MRXNPFEDSA-N 1 1 329.440 4.188 50 10 biogenic EICAMO