smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1c(-c2ccccc2)oc2ccc([O-])c(C[NH+](C)C)c21 ZINC000000048956 201358099 /nfs/dbraw/zinc/35/80/99/201358099.db2.gz JXUHSUSCLWIKEW-UHFFFAOYSA-N 0 1 339.391 4.044 50 10 EICAMN O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21)C(F)(F)F ZINC000000123746 563235891 /nfs/dbraw/zinc/23/58/91/563235891.db2.gz FXDVXIHUTSMGQI-KRWDZBQOSA-N 0 1 345.320 4.313 50 10 EICAMN COc1cccc(-c2ccc([O-])c(C[NH+]3CCCCCCC3)c2)n1 ZINC000011913466 563651752 /nfs/dbraw/zinc/65/17/52/563651752.db2.gz BNVLGMHGSFTFCS-UHFFFAOYSA-N 0 1 326.440 4.229 50 10 EICAMN Cc1c([O-])c(C[N@@H+]2CCC[C@@H](C)C2)cc2c3ccccc3c(=O)oc12 ZINC000005071563 563994221 /nfs/dbraw/zinc/99/42/21/563994221.db2.gz MXUUGTAPKAJVPF-CYBMUJFWSA-N 0 1 337.419 4.192 50 10 EICAMN COc1cccc(-c2ccc([O-])c(C[NH2+]C[C@H](C)c3ccccc3)c2)n1 ZINC000012571105 563663421 /nfs/dbraw/zinc/66/34/21/563663421.db2.gz OFVLGZDJRVNFNN-INIZCTEOSA-N 0 1 348.446 4.356 50 10 EICAMN O=C1C=CC(=NNc2n[nH]c(-c3ccc(Br)cc3)n2)C=C1 ZINC000013125099 563689253 /nfs/dbraw/zinc/68/92/53/563689253.db2.gz SNQXAJCVPFECRN-HTXNQAPBSA-N 0 1 344.172 4.355 50 10 EICAMN CC1=NN(c2ccccc2)C(=S)C1C=Nc1ccccc1[N+](=O)[O-] ZINC000105363813 564025104 /nfs/dbraw/zinc/02/51/04/564025104.db2.gz YKGOQTCBFWJBPT-SDNWHVSQSA-N 0 1 338.392 4.114 50 10 EICAMN O=C1NC(=NCc2ccccc2)SC1=Cc1ccc(Cl)cc1 ZINC000027515453 202156483 /nfs/dbraw/zinc/15/64/83/202156483.db2.gz CLAFIVNSSVOTSP-XNTDXEJSSA-N 0 1 328.824 4.100 50 10 EICAMN CC[C@@H]([NH2+]Cc1c(C)noc1C)c1cc(Br)ccc1[O-] ZINC000092329033 203079109 /nfs/dbraw/zinc/07/91/09/203079109.db2.gz QNTBFEUKAZHLNK-CQSZACIVSA-N 0 1 339.233 4.000 50 10 EICAMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccccc1Cl ZINC000040477072 563923113 /nfs/dbraw/zinc/92/31/13/563923113.db2.gz ZNEQUURDSZJINC-UHFFFAOYSA-N 0 1 326.621 4.098 50 10 EICAMN CCCc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCCC[C@@H]1CC ZINC000005046710 563994058 /nfs/dbraw/zinc/99/40/58/563994058.db2.gz LCSSFBMCLVEOCG-HNNXBMFYSA-N 0 1 329.440 4.216 50 10 EICAMN O=C1c2ccccc2N[C@@H](c2cc(Cl)cc(Cl)c2O)N1C1CC1 ZINC000007886190 564124423 /nfs/dbraw/zinc/12/44/23/564124423.db2.gz OYEWFPLDUAYVSQ-MRXNPFEDSA-N 0 1 349.217 4.428 50 10 EICAMN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000004981012 563919007 /nfs/dbraw/zinc/91/90/07/563919007.db2.gz WJUKWHSYVWDXQU-UHFFFAOYSA-N 0 1 337.250 4.021 50 10 EICAMN O=C1c2ccccc2N[C@H](c2cc(Cl)cc(Cl)c2O)N1C1CC1 ZINC000007886191 564124403 /nfs/dbraw/zinc/12/44/03/564124403.db2.gz OYEWFPLDUAYVSQ-INIZCTEOSA-N 0 1 349.217 4.428 50 10 EICAMN Cc1c(C)c2cc(Cl)c([O-])c(C[N@@H+]3CCC[C@H](C)C3)c2oc1=O ZINC000020292566 202036638 /nfs/dbraw/zinc/03/66/38/202036638.db2.gz CSECEVUEOJVQDB-JTQLQIEISA-N 0 1 335.831 4.001 50 10 EICAMN Cc1cccc(N2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)c1C ZINC000006391353 563567048 /nfs/dbraw/zinc/56/70/48/563567048.db2.gz AYISLRSDYNJVMW-SOFGYWHQSA-N 0 1 349.522 4.205 50 10 EICAMN C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c3ccccc3c(=O)oc21 ZINC000013425402 563698430 /nfs/dbraw/zinc/69/84/30/563698430.db2.gz DHRWAOWKWHHROR-UHFFFAOYSA-N 0 1 345.398 4.284 50 10 EICAMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)C1=Cc1cccs1 ZINC000001244664 564062681 /nfs/dbraw/zinc/06/26/81/564062681.db2.gz AHDHDPGWDOPSQO-CSKARUKUSA-N 0 1 348.836 4.073 50 10 EICAMN Cc1nc(C=C2SC(Nc3cccc(C)c3)=NC2=O)c2ccccn12 ZINC000032070844 564085785 /nfs/dbraw/zinc/08/57/85/564085785.db2.gz VQVJKJNUOWKNII-BOPFTXTBSA-N 0 1 348.431 4.034 50 10 EICAMN CC[C@H]([NH2+]Cc1c(C)noc1C)c1cc(Br)ccc1[O-] ZINC000092329031 203079308 /nfs/dbraw/zinc/07/93/08/203079308.db2.gz QNTBFEUKAZHLNK-AWEZNQCLSA-N 0 1 339.233 4.000 50 10 EICAMN CC1CC[NH+]([C@@H](c2ccncc2)c2ccc3cccnc3c2[O-])CC1 ZINC000020192174 212109621 /nfs/dbraw/zinc/10/96/21/212109621.db2.gz GPBNJFBTIOIRGK-FQEVSTJZSA-N 0 1 333.435 4.157 50 10 EICAMN CC(=O)c1c(C)n(-c2ccccc2)c2ccc([O-])c(C[N+](C)(C)C)c21 ZINC000075245280 203310540 /nfs/dbraw/zinc/31/05/40/203310540.db2.gz RBKNFOUZUCFONE-UHFFFAOYSA-O 0 1 337.443 4.053 50 10 EICAMN CCCN(CC(=O)Nc1cccc2ccccc21)Cc1ccccc1O ZINC000058209002 563939832 /nfs/dbraw/zinc/93/98/32/563939832.db2.gz ZKRYUXIHHMGWFA-UHFFFAOYSA-N 0 1 348.446 4.396 50 10 EICAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c3ccccc3c(=O)oc21 ZINC000000045111 563970384 /nfs/dbraw/zinc/97/03/84/563970384.db2.gz DLZWDJYQYWBOLU-CQSZACIVSA-N 0 1 337.419 4.416 50 10 EICAMN O=[N+]([O-])c1cccc(F)c1CN(Cc1ccccc1O)C1CCCC1 ZINC000089813914 564113969 /nfs/dbraw/zinc/11/39/69/564113969.db2.gz BITGYEXFLBHYCF-UHFFFAOYSA-N 0 1 344.386 4.384 50 10 EICAMN COc1ccc(OCC[N@@H+](C)Cc2c(O)ccc3ccccc32)cc1 ZINC000008036427 564162308 /nfs/dbraw/zinc/16/23/08/564162308.db2.gz HXXFCMMQHBYOJN-UHFFFAOYSA-N 0 1 337.419 4.065 50 10 EICAMN COc1ccccc1NC=C1C(C)=NN(c2ccc(C)cc2C)C1=O ZINC000100507700 563992640 /nfs/dbraw/zinc/99/26/40/563992640.db2.gz KPLOQJZRMKBOPZ-FOWTUZBSSA-N 0 1 335.407 4.031 50 10 EICAMN COc1ccccc1N=Cc1c(C)[nH]n(-c2ccc(C)cc2C)c1=O ZINC000100507700 563992641 /nfs/dbraw/zinc/99/26/41/563992641.db2.gz KPLOQJZRMKBOPZ-FOWTUZBSSA-N 0 1 335.407 4.031 50 10 EICAMN CC[C@@H]1CCCC[N@H+]1Cc1cc2c3c(c(=O)oc2c(C)c1[O-])CCC3 ZINC000005025378 563993836 /nfs/dbraw/zinc/99/38/36/563993836.db2.gz AWQWVKOTJKRDMZ-OAHLLOKOSA-N 0 1 341.451 4.060 50 10 EICAMN COc1ccc(N2N=C(C)C(=CNc3ccccc3Cl)C2=O)cc1 ZINC000101112651 564019204 /nfs/dbraw/zinc/01/92/04/564019204.db2.gz XVWRPPQWWVCGNC-RVDMUPIBSA-N 0 1 341.798 4.067 50 10 EICAMN COc1ccc(-n2[nH]c(C)c(C=Nc3ccccc3Cl)c2=O)cc1 ZINC000101112651 564019205 /nfs/dbraw/zinc/01/92/05/564019205.db2.gz XVWRPPQWWVCGNC-RVDMUPIBSA-N 0 1 341.798 4.067 50 10 EICAMN CN1CCN(C2=Cc3ccccc3Sc3cc(F)c(F)cc32)CC1 ZINC000019802384 202022721 /nfs/dbraw/zinc/02/27/21/202022721.db2.gz CBOFLGIANBSBCN-UHFFFAOYSA-N 0 1 344.430 4.175 50 10 EICAMN CCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@H+]1CCC[C@H](C)C1 ZINC000020331329 202037657 /nfs/dbraw/zinc/03/76/57/202037657.db2.gz KMDXXIVEURXOTI-LBPRGKRZSA-N 0 1 349.858 4.336 50 10 EICAMN CCCc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCCC[C@H]1CC ZINC000005046711 563994047 /nfs/dbraw/zinc/99/40/47/563994047.db2.gz LCSSFBMCLVEOCG-OAHLLOKOSA-N 0 1 329.440 4.216 50 10 EICAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1c(C)ccc2cccnc21 ZINC000044827009 564027201 /nfs/dbraw/zinc/02/72/01/564027201.db2.gz ZTCYYLHSSILABS-AQTBWJFISA-N 0 1 342.402 4.262 50 10 EICAMN COc1cccc(CNc2ncc(-c3ccc(Cl)cc3)n2C)c1O ZINC000004678444 210244955 /nfs/dbraw/zinc/24/49/55/210244955.db2.gz FWIGYAFUBREDBU-UHFFFAOYSA-N 0 1 343.814 4.067 50 10 EICAMN Cc1cnc(C)c(-c2ccc([O-])c(C[N@H+](C)CCc3ccccc3)c2)n1 ZINC000012159262 211308918 /nfs/dbraw/zinc/30/89/18/211308918.db2.gz ISUITFQSMYOOAD-UHFFFAOYSA-N 0 1 347.462 4.141 50 10 EICAMN Cc1cnc(C)c(-c2ccc([O-])c(C[N@@H+](C)CCc3ccccc3)c2)n1 ZINC000012159262 211308922 /nfs/dbraw/zinc/30/89/22/211308922.db2.gz ISUITFQSMYOOAD-UHFFFAOYSA-N 0 1 347.462 4.141 50 10 EICAMN CC[C@H]1CCCC[N@@H+]1Cc1cc(-c2nc(C)cnc2C)ccc1[O-] ZINC000011881552 211264136 /nfs/dbraw/zinc/26/41/36/211264136.db2.gz FODYTSYRVHIWNM-SFHVURJKSA-N 0 1 325.456 4.231 50 10 EICAMN CC[C@H]1CCCC[N@H+]1Cc1cc(-c2nc(C)cnc2C)ccc1[O-] ZINC000011881552 211264138 /nfs/dbraw/zinc/26/41/38/211264138.db2.gz FODYTSYRVHIWNM-SFHVURJKSA-N 0 1 325.456 4.231 50 10 EICAMN CN1CCN(C2=Cc3ccccc3Sc3cc4c(cc32)CCC4)CC1 ZINC000000347631 563287960 /nfs/dbraw/zinc/28/79/60/563287960.db2.gz BCCQVEICOUTTAY-UHFFFAOYSA-N 0 1 348.515 4.385 50 10 EICAMN COc1ccc(-c2cnc(NCc3cc(Cl)ccc3O)n2C)cc1 ZINC000000819124 564035255 /nfs/dbraw/zinc/03/52/55/564035255.db2.gz WTHVYJHYJIUIKA-UHFFFAOYSA-N 0 1 343.814 4.067 50 10 EICAMN C[N@@H+](Cc1cc(Br)c2cccnc2c1[O-])C1CCCCC1 ZINC000020219916 212113486 /nfs/dbraw/zinc/11/34/86/212113486.db2.gz XIGQYZKYZRGFSZ-UHFFFAOYSA-N 0 1 349.272 4.467 50 10 EICAMN Oc1ccccc1CN(Cc1nnc(C2CCC2)o1)C1CCCCC1 ZINC000079099968 217193007 /nfs/dbraw/zinc/19/30/07/217193007.db2.gz QWDPHHYQBKYASN-UHFFFAOYSA-N 0 1 341.455 4.378 50 10 EICAMN CC[N@@H+](Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C1CCCCC1 ZINC000000122757 563986838 /nfs/dbraw/zinc/98/68/38/563986838.db2.gz VALXNNILOGGICK-UHFFFAOYSA-N 0 1 341.451 4.142 50 10 biogenic EICAMN Cc1ccsc1C=C1C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000033317395 564036687 /nfs/dbraw/zinc/03/66/87/564036687.db2.gz OJIKYFZKHMWIAV-XFXZXTDPSA-N 0 1 342.445 4.037 50 10 EICAMN Cn1c(-c2ccc(F)cc2)cnc1NCc1cc(Cl)ccc1O ZINC000004678624 210244490 /nfs/dbraw/zinc/24/44/90/210244490.db2.gz CPKOWZWXHYXOQG-UHFFFAOYSA-N 0 1 331.778 4.197 50 10 EICAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])c(Cl)cc2c(C)cc(=O)oc21 ZINC000019789539 212067020 /nfs/dbraw/zinc/06/70/20/212067020.db2.gz KOBRSAVGLLIUTE-GFCCVEGCSA-N 0 1 335.831 4.225 50 10 EICAMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3c(-c4ccccc4)cc(=O)oc32)C1 ZINC000000407891 563307306 /nfs/dbraw/zinc/30/73/06/563307306.db2.gz ABTUOYUETFJRLF-OAHLLOKOSA-N 0 1 349.430 4.398 50 10 biogenic EICAMN CC[C@@H]([NH2+]Cc1cncc(C)c1)c1cc(Br)ccc1[O-] ZINC000186303692 564077057 /nfs/dbraw/zinc/07/70/57/564077057.db2.gz YNBKLHHOTPNSLP-OAHLLOKOSA-N 0 1 335.245 4.099 50 10 EICAMN Cc1c(C)c2cc(Cl)c([O-])c(C[N@@H+]3CCC[C@@H](C)C3)c2oc1=O ZINC000020292563 212117266 /nfs/dbraw/zinc/11/72/66/212117266.db2.gz CSECEVUEOJVQDB-SNVBAGLBSA-N 0 1 335.831 4.001 50 10 EICAMN Cc1ccccc1N1C(=O)C(=CC=Cc2ccccc2)C(=O)NC1=S ZINC000017146712 563838406 /nfs/dbraw/zinc/83/84/06/563838406.db2.gz IPEJRDSHUDHUEF-DNRGFCISSA-N 0 1 348.427 4.223 50 10 EICAMN Cc1cnc(C)c(-c2ccc([O-])c(C[N@H+](C)Cc3ccsc3)c2)n1 ZINC000011971989 1043819164 /nfs/dbraw/zinc/81/91/64/1043819164.db2.gz OJUWLTKCWJESBC-UHFFFAOYSA-N 0 1 339.464 4.160 50 10 EICAMN Cc1cnc(C)c(-c2ccc([O-])c(C[N@@H+](C)Cc3ccsc3)c2)n1 ZINC000011971989 1043819173 /nfs/dbraw/zinc/81/91/73/1043819173.db2.gz OJUWLTKCWJESBC-UHFFFAOYSA-N 0 1 339.464 4.160 50 10 EICAMN c1ccc(-c2ncc(CNCc3ccc(N4CCCC4)cc3)cn2)cc1 ZINC000048711675 213958566 /nfs/dbraw/zinc/95/85/66/213958566.db2.gz SVCZXUPIGKEBOO-UHFFFAOYSA-N 0 1 344.462 4.034 50 10 EICAMN FC(F)(F)c1cccc(N2CCN(C3=Cc4ccccc4C3)CC2)c1 ZINC000055145708 132194328 /nfs/dbraw/zinc/19/43/28/132194328.db2.gz LWKSZLORGGKGKH-UHFFFAOYSA-N 0 1 344.380 4.425 50 10 EICAMN CC1=NN(c2ccccc2C)C(=O)C1=CNc1ccccc1Cl ZINC000005730816 564024614 /nfs/dbraw/zinc/02/46/14/564024614.db2.gz GZDMMVCFXZOMAI-SDNWHVSQSA-N 0 1 325.799 4.367 50 10 EICAMN Cc1[nH]n(-c2ccccc2C)c(=O)c1C=Nc1ccccc1Cl ZINC000005730816 564024615 /nfs/dbraw/zinc/02/46/15/564024615.db2.gz GZDMMVCFXZOMAI-SDNWHVSQSA-N 0 1 325.799 4.367 50 10 EICAMN COc1ccc([C@H](c2ccc3cccnc3c2[O-])[NH+]2CCCC2)cc1 ZINC000004178941 210139293 /nfs/dbraw/zinc/13/92/93/210139293.db2.gz AXDPHPBMRZQULH-HXUWFJFHSA-N 0 1 334.419 4.134 50 10 EICAMN CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000020998030 212198222 /nfs/dbraw/zinc/19/82/22/212198222.db2.gz OJZNDYYGELVBFZ-CQSZACIVSA-N 0 1 347.890 4.347 50 10 EICAMN CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000020998030 212198227 /nfs/dbraw/zinc/19/82/27/212198227.db2.gz OJZNDYYGELVBFZ-CQSZACIVSA-N 0 1 347.890 4.347 50 10 EICAMN Cc1c2cc([O-])c(C[NH+](C)C)cc2oc(=O)c1-c1ccc(Cl)cc1 ZINC000094993472 218271976 /nfs/dbraw/zinc/27/19/76/218271976.db2.gz XARPNASHRIBIOC-UHFFFAOYSA-N 0 1 343.810 4.189 50 10 EICAMN C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3 ZINC000002598879 563443903 /nfs/dbraw/zinc/44/39/03/563443903.db2.gz QUDOKQDBCOZAKD-UHFFFAOYSA-N 0 1 349.430 4.009 50 10 EICAMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)C1 ZINC000019793077 212067544 /nfs/dbraw/zinc/06/75/44/212067544.db2.gz HFRMWZYFFSQPDE-OAHLLOKOSA-N 0 1 349.430 4.398 50 10 biogenic EICAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(Cl)cn1 ZINC000016671962 563820315 /nfs/dbraw/zinc/82/03/15/563820315.db2.gz ILGIVYDQIQUBJS-ZROIWOOFSA-N 0 1 347.205 4.107 50 10 EICAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(Cl)cn1 ZINC000006556868 564092025 /nfs/dbraw/zinc/09/20/25/564092025.db2.gz UIBGAHDJNDAEOL-MHWRWJLKSA-N 0 1 340.814 4.070 50 10 EICAMN Cc1ccc(S(=O)(=O)Nc2c3ccccc3nc3ccccc32)cc1 ZINC000004662708 210240314 /nfs/dbraw/zinc/24/03/14/210240314.db2.gz QLDHSCAIZKDCET-UHFFFAOYSA-N 0 1 348.427 4.497 50 10 EICAMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccc(Br)c1 ZINC000040477046 213312740 /nfs/dbraw/zinc/31/27/40/213312740.db2.gz OBMPIRAWMCSZFT-UHFFFAOYSA-N 0 1 326.621 4.098 50 10 EICAMN CCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@@H+]1CCCC[C@H]1CC ZINC000020323933 212119819 /nfs/dbraw/zinc/11/98/19/212119819.db2.gz IGAOLRKTALBPMO-CYBMUJFWSA-N 0 1 349.858 4.479 50 10 EICAMN CC[N@H+](Cc1ccccc1)Cc1cc(-c2cccc(OC)n2)ccc1[O-] ZINC000012130363 211302133 /nfs/dbraw/zinc/30/21/33/211302133.db2.gz HYMNVMZIRTTXAD-UHFFFAOYSA-N 0 1 348.446 4.485 50 10 EICAMN CC[N@@H+](Cc1ccccc1)Cc1cc(-c2cccc(OC)n2)ccc1[O-] ZINC000012130363 211302137 /nfs/dbraw/zinc/30/21/37/211302137.db2.gz HYMNVMZIRTTXAD-UHFFFAOYSA-N 0 1 348.446 4.485 50 10 EICAMN CC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2nc(C)cnc2C)ccc1[O-] ZINC000011881551 211264798 /nfs/dbraw/zinc/26/47/98/211264798.db2.gz FODYTSYRVHIWNM-GOSISDBHSA-N 0 1 325.456 4.231 50 10 EICAMN CC[C@@H]1CCCC[N@H+]1Cc1cc(-c2nc(C)cnc2C)ccc1[O-] ZINC000011881551 211264801 /nfs/dbraw/zinc/26/48/01/211264801.db2.gz FODYTSYRVHIWNM-GOSISDBHSA-N 0 1 325.456 4.231 50 10 EICAMN COc1cccc(-c2ccc([O-])c(C[NH2+]CCC3=CCCCC3)c2)n1 ZINC000299798982 258005842 /nfs/dbraw/zinc/00/58/42/258005842.db2.gz WQPMNFKFWNXBNG-UHFFFAOYSA-N 0 1 338.451 4.443 50 10 EICAMN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccccc1Cl ZINC000100148636 563984007 /nfs/dbraw/zinc/98/40/07/563984007.db2.gz VVGVZGRGIGXMDI-GXDHUFHOSA-N 0 1 329.762 4.198 50 10 EICAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccccc1Cl ZINC000100148636 563984008 /nfs/dbraw/zinc/98/40/08/563984008.db2.gz VVGVZGRGIGXMDI-GXDHUFHOSA-N 0 1 329.762 4.198 50 10 EICAMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(Cl)cn1 ZINC000005277161 564002306 /nfs/dbraw/zinc/00/23/06/564002306.db2.gz XRJYFHWVXGFBKS-GDNBJRDFSA-N 0 1 340.814 4.070 50 10 EICAMN COc1ccc(Cl)cc1N=Cc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000005955637 564057274 /nfs/dbraw/zinc/05/72/74/564057274.db2.gz IWIWZNYYJSXFDL-PTNGSMBKSA-N 0 1 341.798 4.067 50 10 EICAMN Cc1cc(O)c(CN2CCN(Cc3cccs3)CC2)cc1C(C)C ZINC000022019077 212270835 /nfs/dbraw/zinc/27/08/35/212270835.db2.gz TYLBMOHGXKJFSR-UHFFFAOYSA-N 0 1 344.524 4.203 50 10 EICAMN [O-]c1ccc(-c2cncnc2)cc1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000014972627 563769668 /nfs/dbraw/zinc/76/96/68/563769668.db2.gz AVPWLDFJLBGAQX-UHFFFAOYSA-N 0 1 343.430 4.139 50 10 EICAMN [O-]c1ccc(-c2cncnc2)cc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000014972627 563769671 /nfs/dbraw/zinc/76/96/71/563769671.db2.gz AVPWLDFJLBGAQX-UHFFFAOYSA-N 0 1 343.430 4.139 50 10 EICAMN C[N@@H+](Cc1c([O-])ccc2c3ccccc3c(=O)oc21)C1CCCCC1 ZINC000000142645 563987146 /nfs/dbraw/zinc/98/71/46/563987146.db2.gz YQIBCBWHGJLCTN-UHFFFAOYSA-N 0 1 337.419 4.416 50 10 EICAMN O=C(c1[nH]cnc1N=Nc1c(O)ccc2ccccc21)N1CCCCC1 ZINC000006025796 564057697 /nfs/dbraw/zinc/05/76/97/564057697.db2.gz PAIVGWHSLLFYPW-GHVJWSGMSA-N 0 1 349.394 4.310 50 10 EICAMN CC1=NN(c2ccccc2)C(=S)C1C=Nc1ccccc1[N+](=O)[O-] ZINC000013590625 564111826 /nfs/dbraw/zinc/11/18/26/564111826.db2.gz YKGOQTCBFWJBPT-KAMYIIQDSA-N 0 1 338.392 4.114 50 10 EICAMN [O-]c1c(C[NH+]2CCCC2)cc(COCc2ccccc2)c2cccnc12 ZINC000023212095 212359869 /nfs/dbraw/zinc/35/98/69/212359869.db2.gz LTGLGIQQZXSLLF-UHFFFAOYSA-N 0 1 348.446 4.253 50 10 in-vitro EICAMN [O-]c1ccc(Br)cc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000076275406 563967799 /nfs/dbraw/zinc/96/77/99/563967799.db2.gz RRFWQEDMPFUNSS-UHFFFAOYSA-N 0 1 326.621 4.098 50 10 EICAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Cl)cn1 ZINC000101150093 564019249 /nfs/dbraw/zinc/01/92/49/564019249.db2.gz AGSMJNXHJKIASG-NTEUORMPSA-N 0 1 347.205 4.107 50 10 EICAMN COc1cccc(-c2cnc(NCc3cc(Cl)ccc3O)n2C)c1 ZINC000000819130 564035211 /nfs/dbraw/zinc/03/52/11/564035211.db2.gz XTGDNRAKCFTLPG-UHFFFAOYSA-N 0 1 343.814 4.067 50 10 aggregator EICAMN COc1ccccc1NC=C1C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000006796061 564098035 /nfs/dbraw/zinc/09/80/35/564098035.db2.gz VHPIZERGQQQALC-PTNGSMBKSA-N 0 1 341.798 4.067 50 10 EICAMN COc1ccccc1N=Cc1c(C)[nH]n(-c2cccc(Cl)c2)c1=O ZINC000006796061 564098036 /nfs/dbraw/zinc/09/80/36/564098036.db2.gz VHPIZERGQQQALC-PTNGSMBKSA-N 0 1 341.798 4.067 50 10 EICAMN COc1ccccc1NC=C1C(C)=NN(c2ccc(C)c(C)c2)C1=O ZINC000095471510 564141239 /nfs/dbraw/zinc/14/12/39/564141239.db2.gz DHXQLDQWUVNQRK-ATVHPVEESA-N 0 1 335.407 4.031 50 10 EICAMN COc1ccccc1N=Cc1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O ZINC000095471510 564141240 /nfs/dbraw/zinc/14/12/40/564141240.db2.gz DHXQLDQWUVNQRK-ATVHPVEESA-N 0 1 335.407 4.031 50 10 EICAMN CCOc1cc2c(cc1OCC)[C@H](c1cc(Cl)ccc1[O-])[NH2+]CC2 ZINC000019847944 212075222 /nfs/dbraw/zinc/07/52/22/212075222.db2.gz BCFBJGOOAHACFI-LJQANCHMSA-N 0 1 347.842 4.078 50 10 EICAMN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccccc1Cl ZINC000015930435 564078323 /nfs/dbraw/zinc/07/83/23/564078323.db2.gz VVGVZGRGIGXMDI-UVTDQMKNSA-N 0 1 329.762 4.198 50 10 EICAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccccc1Cl ZINC000015930435 564078324 /nfs/dbraw/zinc/07/83/24/564078324.db2.gz VVGVZGRGIGXMDI-UVTDQMKNSA-N 0 1 329.762 4.198 50 10 EICAMN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccccc1C(F)(F)F ZINC000100148561 219092048 /nfs/dbraw/zinc/09/20/48/219092048.db2.gz RAWPFDXIHJPMLL-KAMYIIQDSA-N 0 1 345.324 4.424 50 10 EICAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccccc1C(F)(F)F ZINC000100148561 219092050 /nfs/dbraw/zinc/09/20/50/219092050.db2.gz RAWPFDXIHJPMLL-KAMYIIQDSA-N 0 1 345.324 4.424 50 10 EICAMN Cc1cccc(S(=O)(=O)Nc2cccc3c2C(=O)c2ccccc2-3)c1 ZINC000003997647 210097199 /nfs/dbraw/zinc/09/71/99/210097199.db2.gz DJIDXEXAFYBXBK-UHFFFAOYSA-N 0 1 349.411 4.007 50 10 EICAMN O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc21)C(F)(F)F ZINC000000123748 563235867 /nfs/dbraw/zinc/23/58/67/563235867.db2.gz FXDVXIHUTSMGQI-QGZVFWFLSA-N 0 1 345.320 4.313 50 10 EICAMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccccc1F ZINC000006647828 563576303 /nfs/dbraw/zinc/57/63/03/563576303.db2.gz DSZWCKYCXGJNNX-UHFFFAOYSA-N 0 1 335.791 4.086 50 10 EICAMN CCc1cc2c(C)cc(=O)oc2c(C[N@@H+]2CCCC[C@H]2CC)c1[O-] ZINC000000038086 563968551 /nfs/dbraw/zinc/96/85/51/563968551.db2.gz VNJQRLQPSJKPFE-OAHLLOKOSA-N 0 1 329.440 4.134 50 10 biogenic EICAMN COc1ccc2ccc(O)c(C[N@@H+](Cc3ccncc3)C3CC3)c2c1 ZINC000007317929 564106757 /nfs/dbraw/zinc/10/67/57/564106757.db2.gz IEQGSEBIUZQALO-UHFFFAOYSA-N 0 1 334.419 4.114 50 10 EICAMN O=C1NC(=O)N(CCC2=CCCCC2)C(=O)C1=CC=Cc1ccco1 ZINC000008738903 564167123 /nfs/dbraw/zinc/16/71/23/564167123.db2.gz CIFCHVMLEBKERO-MMPACVFLSA-N 0 1 340.379 4.028 50 10 EICAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c3ccccc3c(=O)oc21 ZINC000000045110 209388117 /nfs/dbraw/zinc/38/81/17/209388117.db2.gz DLZWDJYQYWBOLU-AWEZNQCLSA-N 0 1 337.419 4.416 50 10 EICAMN COc1cccc(-c2ccc([O-])c(C[NH2+]C[C@@H](C)c3ccccc3)c2)n1 ZINC000012571101 563663401 /nfs/dbraw/zinc/66/34/01/563663401.db2.gz OFVLGZDJRVNFNN-MRXNPFEDSA-N 0 1 348.446 4.356 50 10 EICAMN CN(Cc1nc2ccccc2s1)Cc1c(O)ccc2ccncc21 ZINC000012972940 563679624 /nfs/dbraw/zinc/67/96/24/563679624.db2.gz QGHYFTIPCZPOHH-UHFFFAOYSA-N 0 1 335.432 4.182 50 10 EICAMN Cc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@@H+](C)Cc1ccccc1 ZINC000005697450 564019274 /nfs/dbraw/zinc/01/92/74/564019274.db2.gz GIUNPICXIIGCAZ-UHFFFAOYSA-N 0 1 343.810 4.092 50 10 biogenic EICAMN Cc1c(C)c2cc(C[N@@H+](C)Cc3ccccc3)c([O-])c(C)c2oc1=O ZINC000002130595 564058368 /nfs/dbraw/zinc/05/83/68/564058368.db2.gz BJEXHFQZHGWYSI-UHFFFAOYSA-N 0 1 337.419 4.056 50 10 biogenic EICAMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)C1 ZINC000019793078 212067717 /nfs/dbraw/zinc/06/77/17/212067717.db2.gz HFRMWZYFFSQPDE-HNNXBMFYSA-N 0 1 349.430 4.398 50 10 biogenic EICAMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3c(-c4ccccc4)cc(=O)oc32)C1 ZINC000000407890 563307357 /nfs/dbraw/zinc/30/73/57/563307357.db2.gz ABTUOYUETFJRLF-HNNXBMFYSA-N 0 1 349.430 4.398 50 10 biogenic EICAMN Cc1cc(O)c(CN2CCN(c3ccccc3F)CC2)cc1C(C)C ZINC000003384654 210023655 /nfs/dbraw/zinc/02/36/55/210023655.db2.gz PRUPEBZRVDEFQK-UHFFFAOYSA-N 0 1 342.458 4.285 50 10 EICAMN CSc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000040477067 213312778 /nfs/dbraw/zinc/31/27/78/213312778.db2.gz WTCLZKHIUCYUIH-UHFFFAOYSA-N 0 1 338.270 4.166 50 10 EICAMN Oc1c(Cl)cc(Cl)cc1CNc1ccc(Br)cn1 ZINC000020191359 212109923 /nfs/dbraw/zinc/10/99/23/212109923.db2.gz ROGZUXWCQAZKGO-UHFFFAOYSA-N 0 1 348.027 4.469 50 10 EICAMN CC(C)OCc1cc(C[NH+]2CCC(C)CC2)c([O-])c2ncccc12 ZINC000020439867 212129180 /nfs/dbraw/zinc/12/91/80/212129180.db2.gz TWRPYDBWERXTND-UHFFFAOYSA-N 0 1 328.456 4.097 50 10 EICAMN CCOc1cc2c(cc1OCC)[C@@H](c1cc(Cl)ccc1[O-])[NH2+]CC2 ZINC000019847946 212075481 /nfs/dbraw/zinc/07/54/81/212075481.db2.gz BCFBJGOOAHACFI-IBGZPJMESA-N 0 1 347.842 4.078 50 10 EICAMN CN1CCN(C2=Cc3ccccc3Sc3cc(F)ccc32)CC1 ZINC000019802400 212070268 /nfs/dbraw/zinc/07/02/68/212070268.db2.gz KKWBALVHTAINIA-UHFFFAOYSA-N 0 1 326.440 4.036 50 10 EICAMN CCCC[N@@H+](C)Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC000001782047 564090601 /nfs/dbraw/zinc/09/06/01/564090601.db2.gz RDOOISBDYPOMMW-UHFFFAOYSA-N 0 1 337.419 4.398 50 10 biogenic EICAMN COc1cc2c(cc1NCc1n[nH]c(C3CC3)n1)oc1ccccc12 ZINC000097164978 564149483 /nfs/dbraw/zinc/14/94/83/564149483.db2.gz XBMMZJOOQONUKG-UHFFFAOYSA-N 0 1 334.379 4.202 50 10 EICAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc2ccc(C)nc21 ZINC000100821573 219108122 /nfs/dbraw/zinc/10/81/22/219108122.db2.gz LFDITFAPHXHNBV-AQTBWJFISA-N 0 1 342.402 4.262 50 10 EICAMN CCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@@H+]1CCCC[C@@H]1CC ZINC000020323939 212119860 /nfs/dbraw/zinc/11/98/60/212119860.db2.gz IGAOLRKTALBPMO-ZDUSSCGKSA-N 0 1 349.858 4.479 50 10 EICAMN CC1CC[NH+]([C@H](c2ccncc2)c2ccc3cccnc3c2[O-])CC1 ZINC000020192177 212109675 /nfs/dbraw/zinc/10/96/75/212109675.db2.gz GPBNJFBTIOIRGK-HXUWFJFHSA-N 0 1 333.435 4.157 50 10 EICAMN Cc1ccc(/C=C2\SC(=S)N(CN3CCCCCC3)C2=O)cc1 ZINC000012447475 211385349 /nfs/dbraw/zinc/38/53/49/211385349.db2.gz BTXSDJBPTOAAQC-VBKFSLOCSA-N 0 1 346.521 4.030 50 10 EICAMN COc1ccc(N2CCC(NCc3csc(C(C)C)n3)CC2)cc1 ZINC000071924583 563664595 /nfs/dbraw/zinc/66/45/95/563664595.db2.gz UZRMYXGSYFQJFH-UHFFFAOYSA-N 0 1 345.512 4.034 50 10 EICAMN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccccc1Cl ZINC000005339900 564002755 /nfs/dbraw/zinc/00/27/55/564002755.db2.gz JCOYUODHZVWRON-PTNGSMBKSA-N 0 1 325.799 4.367 50 10 EICAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccccc1Cl ZINC000005339900 564002756 /nfs/dbraw/zinc/00/27/56/564002756.db2.gz JCOYUODHZVWRON-PTNGSMBKSA-N 0 1 325.799 4.367 50 10 EICAMN Cc1ccsc1C[N@@H+](Cc1ccccn1)Cc1cccc(F)c1[O-] ZINC000055371526 214313727 /nfs/dbraw/zinc/31/37/27/214313727.db2.gz FPHVFUHHVNNCHJ-UHFFFAOYSA-N 0 1 342.439 4.499 50 10 EICAMN Cc1ccc(-c2cnc(NCc3cc(Cl)ccc3O)n2C)cc1 ZINC000004678528 210245018 /nfs/dbraw/zinc/24/50/18/210245018.db2.gz QHUMBAIAOAJUDJ-UHFFFAOYSA-N 0 1 327.815 4.367 50 10 EICAMN CC[C@H]1CCCC[N@H+]1Cc1cc2c3c(c(=O)oc2c(C)c1[O-])CCC3 ZINC000005025379 210365742 /nfs/dbraw/zinc/36/57/42/210365742.db2.gz AWQWVKOTJKRDMZ-HNNXBMFYSA-N 0 1 341.451 4.060 50 10 EICAMN CCC[N@H+](Cc1cc(-c2nc(C)cnc2C)ccc1[O-])CC1CC1 ZINC000014884222 563766519 /nfs/dbraw/zinc/76/65/19/563766519.db2.gz XHZNPULSSNSNAM-UHFFFAOYSA-N 0 1 325.456 4.088 50 10 EICAMN [O-]c1ccc(-c2nc3ccccc3s2)cc1C[NH+]1CCSCC1 ZINC000014984428 563770399 /nfs/dbraw/zinc/77/03/99/563770399.db2.gz NLHDSZUWAFXDHF-UHFFFAOYSA-N 0 1 342.489 4.218 50 10 EICAMN CC[C@H]1CCCC[N@H+]1Cc1cc2c(C)c(C)c(=O)oc2c(C)c1[O-] ZINC000002129079 564118552 /nfs/dbraw/zinc/11/85/52/564118552.db2.gz PVFHAIYAMFDFJK-INIZCTEOSA-N 0 1 329.440 4.188 50 10 biogenic EICAMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000054845527 214258240 /nfs/dbraw/zinc/25/82/40/214258240.db2.gz HFTHVMMDEHEFBD-UHFFFAOYSA-N 0 1 348.446 4.122 50 10 EICAMN CCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1OCC ZINC000040477039 213312668 /nfs/dbraw/zinc/31/26/68/213312668.db2.gz HRHLKDOUIYQYPP-UHFFFAOYSA-N 0 1 335.831 4.133 50 10 EICAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])c(Cl)cc2c(C)cc(=O)oc21 ZINC000019789541 212066394 /nfs/dbraw/zinc/06/63/94/212066394.db2.gz KOBRSAVGLLIUTE-LBPRGKRZSA-N 0 1 335.831 4.225 50 10 EICAMN Cc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)s1 ZINC000013766040 563932798 /nfs/dbraw/zinc/93/27/98/563932798.db2.gz MXCWEISVULJATE-LCYFTJDESA-N 0 1 342.445 4.037 50 10 EICAMN CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000020998032 212198188 /nfs/dbraw/zinc/19/81/88/212198188.db2.gz OJZNDYYGELVBFZ-AWEZNQCLSA-N 0 1 347.890 4.347 50 10 EICAMN CC(C)Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000020998032 212198191 /nfs/dbraw/zinc/19/81/91/212198191.db2.gz OJZNDYYGELVBFZ-AWEZNQCLSA-N 0 1 347.890 4.347 50 10 EICAMN CC[C@H]([NH2+]Cc1cncc(C)c1)c1cc(Br)ccc1[O-] ZINC000186303675 564077054 /nfs/dbraw/zinc/07/70/54/564077054.db2.gz YNBKLHHOTPNSLP-HNNXBMFYSA-N 0 1 335.245 4.099 50 10 EICAMN COc1ccccc1NC=C1C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000095471504 564141258 /nfs/dbraw/zinc/14/12/58/564141258.db2.gz PUNJJLGACKUBSR-PTNGSMBKSA-N 0 1 341.798 4.067 50 10 EICAMN COc1ccccc1N=Cc1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000095471504 564141259 /nfs/dbraw/zinc/14/12/59/564141259.db2.gz PUNJJLGACKUBSR-PTNGSMBKSA-N 0 1 341.798 4.067 50 10 EICAMN CCc1c(C)c2cc(Cl)c([O-])c(C[N@H+]3CCC[C@@H](C)C3)c2oc1=O ZINC000020362797 212122961 /nfs/dbraw/zinc/12/29/61/212122961.db2.gz IOJVXSUWACTTBY-LLVKDONJSA-N 0 1 349.858 4.255 50 10 EICAMN CCc1c(C)c2cc(Cl)c([O-])c(C[N@H+]3CCC[C@H](C)C3)c2oc1=O ZINC000020362799 212122892 /nfs/dbraw/zinc/12/28/92/212122892.db2.gz IOJVXSUWACTTBY-NSHDSACASA-N 0 1 349.858 4.255 50 10 EICAMN COc1cc2c(cc1OC)C[N@@H+](Cc1c(O)ccc3ccccc31)CC2 ZINC000005720278 563546950 /nfs/dbraw/zinc/54/69/50/563546950.db2.gz SKHSCOOETIOUBP-UHFFFAOYSA-N 0 1 349.430 4.121 50 10 EICAMN COc1cccc(-c2ccc([O-])c(C[N@H+](C)Cc3cccs3)c2)n1 ZINC000059343265 563948064 /nfs/dbraw/zinc/94/80/64/563948064.db2.gz ZXNGMQWDFJYLEP-UHFFFAOYSA-N 0 1 340.448 4.156 50 10 EICAMN COc1cccc(-c2ccc([O-])c(C[N@@H+](C)Cc3cccs3)c2)n1 ZINC000059343265 563948066 /nfs/dbraw/zinc/94/80/66/563948066.db2.gz ZXNGMQWDFJYLEP-UHFFFAOYSA-N 0 1 340.448 4.156 50 10 EICAMN CCc1cc2c(C)cc(=O)oc2c(C[N@@H+]2CCCC[C@@H]2CC)c1[O-] ZINC000000038088 563968576 /nfs/dbraw/zinc/96/85/76/563968576.db2.gz VNJQRLQPSJKPFE-HNNXBMFYSA-N 0 1 329.440 4.134 50 10 biogenic EICAMN Cc1ccc(NC(=O)c2[nH]cnc2[N-][NH+]=C2C=CC(=O)C=C2C)cc1 ZINC000006694326 564096092 /nfs/dbraw/zinc/09/60/92/564096092.db2.gz NPICDUKPAYHLBA-GHVJWSGMSA-N 0 1 335.367 4.400 50 10 EICAMN COc1ccc([C@@H](c2ccc3cccnc3c2[O-])[NH+]2CCCC2)cc1 ZINC000004178938 210140283 /nfs/dbraw/zinc/14/02/83/210140283.db2.gz AXDPHPBMRZQULH-FQEVSTJZSA-N 0 1 334.419 4.134 50 10 EICAMN CCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@H+]1CCC[C@@H](C)C1 ZINC000020331324 212119849 /nfs/dbraw/zinc/11/98/49/212119849.db2.gz KMDXXIVEURXOTI-GFCCVEGCSA-N 0 1 349.858 4.336 50 10 EICAMN Cc1sc(NS(=O)(=O)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000005924707 564057013 /nfs/dbraw/zinc/05/70/13/564057013.db2.gz CSACLLYPJVIXFT-UHFFFAOYSA-N 0 1 348.424 4.058 50 10 EICAMN Cc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)s1 ZINC000001246725 564062703 /nfs/dbraw/zinc/06/27/03/564062703.db2.gz MXCWEISVULJATE-UKTHLTGXSA-N 0 1 342.445 4.037 50 10 EICAMN CC[C@@H]1CCCC[N@H+]1Cc1cc2c(C)c(C)c(=O)oc2c(C)c1[O-] ZINC000002129080 564118540 /nfs/dbraw/zinc/11/85/40/564118540.db2.gz PVFHAIYAMFDFJK-MRXNPFEDSA-N 0 1 329.440 4.188 50 10 biogenic EICAMN