smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[NH+]2CCN(/N=C\c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000019773005 202019562 /nfs/dbraw/zinc/01/95/62/202019562.db2.gz RUTRRWUAQQIVOZ-ZHZULCJRSA-N 1 1 338.411 3.055 50 30 EGEAMO N#Cc1cccnc1NC[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000065512536 201156181 /nfs/dbraw/zinc/15/61/81/201156181.db2.gz WAGVJWCEWVYPJE-MRXNPFEDSA-N 1 1 343.434 3.435 50 30 EGEAMO C=CCOc1c(Cl)cc(C[NH2+]CCN(CC)CC)cc1OC ZINC000022076681 212277253 /nfs/dbraw/zinc/27/72/53/212277253.db2.gz RWOSTTHPUCSUBA-UHFFFAOYSA-N 1 1 326.868 3.345 50 30 EGEAMO Cc1c(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc(C#N)n1C ZINC000072166273 203179386 /nfs/dbraw/zinc/17/93/86/203179386.db2.gz JKRLZXMBSSDOJO-UHFFFAOYSA-N 1 1 342.874 3.176 50 30 EGEAMO Cc1ccc(C(=O)ONC(=[NH2+])c2ccc(Br)cc2)cc1 ZINC000004191378 452797483 /nfs/dbraw/zinc/79/74/83/452797483.db2.gz UISPMHKDFGTWKI-UHFFFAOYSA-N 1 1 333.185 3.235 50 30 aggregator EGEAMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2)C1 ZINC000067727203 453960628 /nfs/dbraw/zinc/96/06/28/453960628.db2.gz BZUFDKFZKJHBEK-INIZCTEOSA-N 1 1 334.423 3.202 50 30 EGEAMO N#Cc1cccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)c1 ZINC000091677605 454456674 /nfs/dbraw/zinc/45/66/74/454456674.db2.gz WHGNPMWIXRFZPC-PZJWPPBQSA-N 1 1 332.451 3.050 50 30 EGEAMO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)c1 ZINC000091677605 454456678 /nfs/dbraw/zinc/45/66/78/454456678.db2.gz WHGNPMWIXRFZPC-PZJWPPBQSA-N 1 1 332.451 3.050 50 30 EGEAMO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)c1 ZINC000091677605 454456683 /nfs/dbraw/zinc/45/66/83/454456683.db2.gz WHGNPMWIXRFZPC-PZJWPPBQSA-N 1 1 332.451 3.050 50 30 EGEAMO C=CCOc1cccc(C[NH+]2CCN(c3ncc(Cl)cn3)CC2)c1 ZINC000065434699 454567358 /nfs/dbraw/zinc/56/73/58/454567358.db2.gz NAHWCGZBSYTREM-UHFFFAOYSA-N 1 1 344.846 3.017 50 30 EGEAMO C=CCc1cccc(OC)c1OCCCCN1CC[NH+](CC)CC1 ZINC000023076579 519143287 /nfs/dbraw/zinc/14/32/87/519143287.db2.gz KMLHFGBTURVANI-UHFFFAOYSA-N 1 1 332.488 3.220 50 30 EGEAMO COc1ccccc1CC(=[NH2+])NOC(=O)c1cc(Cl)ccc1OC ZINC000005012666 524367558 /nfs/dbraw/zinc/36/75/58/524367558.db2.gz UMBCYOWHFBGPSS-UHFFFAOYSA-N 1 1 348.786 3.029 50 30 EGEAMO C=CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)CCC)c(OC)c1 ZINC000055282644 214301260 /nfs/dbraw/zinc/30/12/60/214301260.db2.gz SSLODGIAIZVKIS-INIZCTEOSA-N 1 1 345.443 3.023 50 30 EGEAMO C=CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)CCC)c(OC)c1 ZINC000055282644 214301263 /nfs/dbraw/zinc/30/12/63/214301263.db2.gz SSLODGIAIZVKIS-INIZCTEOSA-N 1 1 345.443 3.023 50 30 EGEAMO C[C@@H]1CCCC[N@H+]1C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21 ZINC000004028475 287272914 /nfs/dbraw/zinc/27/29/14/287272914.db2.gz IHANHCGTYJEQAK-UJXCDSABSA-N 1 1 347.499 3.388 50 30 biogenic EGEAMO CS[C@H](C)Cc1c(C#N)c(N)nc2c1C[N@H+](C1CCCC1)CC2 ZINC000072165627 278159144 /nfs/dbraw/zinc/15/91/44/278159144.db2.gz OQYNAGYGZCPHEF-GFCCVEGCSA-N 1 1 330.501 3.130 50 30 EGEAMO Cc1ccc(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000005073118 452835665 /nfs/dbraw/zinc/83/56/65/452835665.db2.gz DXVXSSHGNOLJBK-UHFFFAOYSA-N 1 1 333.731 3.034 50 30 EGEAMO Cc1cc(OCC(=O)ONC(=[NH2+])c2ccccc2)cc(C)c1Cl ZINC000008576163 453217019 /nfs/dbraw/zinc/21/70/19/453217019.db2.gz ZWNDWWBNOIJCHX-UHFFFAOYSA-N 1 1 332.787 3.199 50 30 EGEAMO CC1=C2[C@H]3OC(=O)[C@H](C[N@@H+]4CCC[C@@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000012658212 453388295 /nfs/dbraw/zinc/38/82/95/453388295.db2.gz DOKPHLDPKYIWJE-QXSVJTPLSA-N 1 1 343.467 3.132 50 30 biogenic EGEAMO CCCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC000067714351 453959921 /nfs/dbraw/zinc/95/99/21/453959921.db2.gz IKMCSNVJJHHAQV-FQEVSTJZSA-N 1 1 341.455 3.393 50 30 EGEAMO CC[C@@H](C(=O)ONC(=[NH2+])c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000006954843 521884571 /nfs/dbraw/zinc/88/45/71/521884571.db2.gz SNPLEUKTXZKLPK-OAHLLOKOSA-N 1 1 342.395 3.061 50 30 EGEAMO C=CCc1cc(C[N@H+]2CCC[C@@H]2C2(O)CC2)cc(OCC)c1OC ZINC001772813845 1441417635 /nfs/dbraw/zinc/41/76/35/1441417635.db2.gz WMTMKKYUWJUNJA-GOSISDBHSA-N 1 1 331.456 3.312 50 30 EGEAMO C=C(C)CNc1ccc(C(=O)N2CC[N@@H+](C(C)C)[C@@H](CC)C2)cn1 ZINC000012429790 211378492 /nfs/dbraw/zinc/37/84/92/211378492.db2.gz RWYSMSSHZOURRT-KRWDZBQOSA-N 1 1 330.476 3.014 50 30 EGEAMO OCC#Cc1csc(C[N@H+](Cc2ccsc2)C[C@@H]2CCCO2)c1 ZINC000055074669 258014993 /nfs/dbraw/zinc/01/49/93/258014993.db2.gz YKTVVEVZBWKZMU-KRWDZBQOSA-N 1 1 347.505 3.335 50 30 EGEAMO Cc1ccc(C)c(OCC(=O)ONC(=[NH2+])c2ccc(Cl)cc2)c1 ZINC000008573216 262520777 /nfs/dbraw/zinc/52/07/77/262520777.db2.gz PEMPVBKJEYPTOP-UHFFFAOYSA-N 1 1 332.787 3.199 50 30 EGEAMO C(=N/c1nc2ccccc2n1CC[NH+]1CCOCC1)\c1cccs1 ZINC000000499570 452608982 /nfs/dbraw/zinc/60/89/82/452608982.db2.gz XJDSFNLAODQDIW-XMHGGMMESA-N 1 1 340.452 3.181 50 30 EGEAMO COC(=O)c1csc(NNC2=C(C(=O)C(F)(F)F)CCC2)n1 ZINC000101391992 219125676 /nfs/dbraw/zinc/12/56/76/219125676.db2.gz OIEWJVSONNHOHJ-ZJNYJYAASA-N 1 1 335.307 3.256 50 30 EGEAMO C=C(C)COc1cccc(C(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000055036751 258014673 /nfs/dbraw/zinc/01/46/73/258014673.db2.gz BDAQQVLAQZQZGU-MRXNPFEDSA-N 1 1 328.456 3.340 50 30 EGEAMO COc1ccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C)cc1C ZINC000067559018 453942593 /nfs/dbraw/zinc/94/25/93/453942593.db2.gz YADHADQHKOTMGR-XJKSGUPXSA-N 1 1 334.423 3.211 50 30 EGEAMO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)c1 ZINC000092065770 454512239 /nfs/dbraw/zinc/51/22/39/454512239.db2.gz LUGNCDYDABEKBM-TZIWHRDSSA-N 1 1 345.446 3.295 50 30 EGEAMO Cc1cccc(C(=[NH2+])NOC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000004725357 524150138 /nfs/dbraw/zinc/15/01/38/524150138.db2.gz JBRVPLLJBKXSNN-UHFFFAOYSA-N 1 1 332.787 3.199 50 30 EGEAMO O=C(c1cccs1)[C@@H]1CCC[N@@H+](Cc2cc(C#CCO)cs2)C1 ZINC000828644584 1292487287 /nfs/dbraw/zinc/48/72/87/1292487287.db2.gz HBSUQGRLBBMROY-OAHLLOKOSA-N 1 1 345.489 3.248 50 30 EGEAMO O=C(c1cccs1)[C@@H]1CCC[N@H+](Cc2cc(C#CCO)cs2)C1 ZINC000828644584 1292487292 /nfs/dbraw/zinc/48/72/92/1292487292.db2.gz HBSUQGRLBBMROY-OAHLLOKOSA-N 1 1 345.489 3.248 50 30 EGEAMO Cc1c(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc(C#N)n1C ZINC000072174495 203182898 /nfs/dbraw/zinc/18/28/98/203182898.db2.gz HHTJAWAKYPVAFC-UHFFFAOYSA-N 1 1 340.446 3.052 50 30 EGEAMO Cc1c(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc(C#N)n1C ZINC000072174495 203182901 /nfs/dbraw/zinc/18/29/01/203182901.db2.gz HHTJAWAKYPVAFC-UHFFFAOYSA-N 1 1 340.446 3.052 50 30 EGEAMO Cc1c(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc(C#N)n1C ZINC000072174495 203182904 /nfs/dbraw/zinc/18/29/04/203182904.db2.gz HHTJAWAKYPVAFC-UHFFFAOYSA-N 1 1 340.446 3.052 50 30 EGEAMO N#Cc1cccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000077354396 203382219 /nfs/dbraw/zinc/38/22/19/203382219.db2.gz DDWGKJCUZGRCSX-UHFFFAOYSA-N 1 1 347.462 3.339 50 30 EGEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCC[C@@H]4COC)[C@H]3C[C@H]12 ZINC000004088699 452792038 /nfs/dbraw/zinc/79/20/38/452792038.db2.gz LYZJRMREVMQKQK-WGVHSKNFSA-N 1 1 347.499 3.411 50 30 biogenic EGEAMO CC(C)Oc1ccc(/C=N/CC[C@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013774709 453488068 /nfs/dbraw/zinc/48/80/68/453488068.db2.gz CLJGDQRPOPPOBX-IGBVKEFNSA-N 1 1 332.488 3.374 50 30 EGEAMO CC(C)Oc1ccc(/C=N/CC[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013774709 453488077 /nfs/dbraw/zinc/48/80/77/453488077.db2.gz CLJGDQRPOPPOBX-IGBVKEFNSA-N 1 1 332.488 3.374 50 30 EGEAMO N#Cc1cccc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)c1 ZINC000095377987 454198494 /nfs/dbraw/zinc/19/84/94/454198494.db2.gz LRRBLSNZVBJUFD-TZIWHRDSSA-N 1 1 345.446 3.295 50 30 EGEAMO CC[C@H](CO)[N@@H+](Cc1cc(C#CCO)cs1)Cc1ccc(F)cc1 ZINC000055166109 522205233 /nfs/dbraw/zinc/20/52/33/522205233.db2.gz CXAIGJBCWBZCGQ-GOSISDBHSA-N 1 1 347.455 3.004 50 30 EGEAMO Cc1cccc(C(=[NH2+])NOC(=O)c2cccc(Br)c2)c1 ZINC000004170092 524150110 /nfs/dbraw/zinc/15/01/10/524150110.db2.gz FRATZGCRYMOVNW-UHFFFAOYSA-N 1 1 333.185 3.235 50 30 EGEAMO C=C(C)COc1ccccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000065431597 258012243 /nfs/dbraw/zinc/01/22/43/258012243.db2.gz RUIBPLKBODAAGS-UHFFFAOYSA-N 1 1 348.450 3.230 50 30 EGEAMO CCCCCCCCCc1c(O)nc(SCC[NH+](C)C)[nH]c1=O ZINC000097994912 454448497 /nfs/dbraw/zinc/44/84/97/454448497.db2.gz FECOLGWMBGIUKH-UHFFFAOYSA-N 1 1 341.521 3.422 50 30 EGEAMO [NH2+]=C(NOC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000004723545 452814505 /nfs/dbraw/zinc/81/45/05/452814505.db2.gz FRKGEXNPDFYPQS-UHFFFAOYSA-N 1 1 335.319 3.225 50 30 EGEAMO CCOc1cccc(OCC[N@@H+]2CCc3c(cnc(C)c3C#N)C2)c1 ZINC000065375586 454556014 /nfs/dbraw/zinc/55/60/14/454556014.db2.gz JRUJWROTPLZYAO-UHFFFAOYSA-N 1 1 337.423 3.098 50 30 EGEAMO CCOc1cccc(OCC[N@H+]2CCc3c(cnc(C)c3C#N)C2)c1 ZINC000065375586 454556019 /nfs/dbraw/zinc/55/60/19/454556019.db2.gz JRUJWROTPLZYAO-UHFFFAOYSA-N 1 1 337.423 3.098 50 30 EGEAMO C=CCOc1ccccc1C[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC000670466321 548220095 /nfs/dbraw/zinc/22/00/95/548220095.db2.gz PJRIOTAPNUDPIW-UHFFFAOYSA-N 1 1 328.456 3.086 50 30 EGEAMO C=CCOc1ccccc1C[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC000670466321 548220096 /nfs/dbraw/zinc/22/00/96/548220096.db2.gz PJRIOTAPNUDPIW-UHFFFAOYSA-N 1 1 328.456 3.086 50 30 EGEAMO Cc1cccc2[nH]c([C@H]3CCC[N@H+](Cc4cc(C#N)n(C)c4)C3)nc21 ZINC000072158774 203175510 /nfs/dbraw/zinc/17/55/10/203175510.db2.gz VQTITWYIVKCHMD-INIZCTEOSA-N 1 1 333.439 3.461 50 30 EGEAMO Cc1cccc2nc([C@H]3CCC[N@@H+](Cc4cc(C#N)n(C)c4)C3)[nH]c21 ZINC000072158774 203175513 /nfs/dbraw/zinc/17/55/13/203175513.db2.gz VQTITWYIVKCHMD-INIZCTEOSA-N 1 1 333.439 3.461 50 30 EGEAMO Cc1cccc2nc([C@H]3CCC[N@H+](Cc4cc(C#N)n(C)c4)C3)[nH]c21 ZINC000072158774 203175517 /nfs/dbraw/zinc/17/55/17/203175517.db2.gz VQTITWYIVKCHMD-INIZCTEOSA-N 1 1 333.439 3.461 50 30 EGEAMO COc1cccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C)c1F ZINC000072153082 278005739 /nfs/dbraw/zinc/00/57/39/278005739.db2.gz KHTHRZLATSOQTB-IINYFYTJSA-N 1 1 338.386 3.042 50 30 EGEAMO COc1cc2c(cc1OC)[C@@H]1C/C(=N\O)[C@@H](CC(C)C)C[N@H+]1CC2 ZINC000012401412 453359518 /nfs/dbraw/zinc/35/95/18/453359518.db2.gz APWMOWABPJKXTE-ZDWDIULSSA-N 1 1 332.444 3.499 50 30 EGEAMO Cc1ccoc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000067773857 453965061 /nfs/dbraw/zinc/96/50/61/453965061.db2.gz SXOVOJGGLUSCAW-INIZCTEOSA-N 1 1 337.423 3.102 50 30 EGEAMO C=CCc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CCC)ccc1OC ZINC000091756577 454466158 /nfs/dbraw/zinc/46/61/58/454466158.db2.gz MUDVXQVKUYIVQB-RBUKOAKNSA-N 1 1 342.483 3.257 50 30 EGEAMO C=C(C)COc1ccc(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000299792093 456781142 /nfs/dbraw/zinc/78/11/42/456781142.db2.gz CYGGNKVWQZCICW-KRWDZBQOSA-N 1 1 329.444 3.344 50 30 EGEAMO Cc1cccc(C(=[NH2+])NOC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 ZINC000004723526 524151939 /nfs/dbraw/zinc/15/19/39/524151939.db2.gz XMMGIRDREZNWKL-GFCCVEGCSA-N 1 1 332.787 3.279 50 30 EGEAMO [NH2+]=C(NOC(=O)C1CCCCC1)c1ccc(Br)cc1 ZINC000004191627 526807246 /nfs/dbraw/zinc/80/72/46/526807246.db2.gz GALDAVQKPRIRIY-UHFFFAOYSA-N 1 1 325.206 3.193 50 30 EGEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000022107574 202079901 /nfs/dbraw/zinc/07/99/01/202079901.db2.gz DMNHFELRKXRCRA-ZHZULCJRSA-N 1 1 338.411 3.055 50 30 EGEAMO N#Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)nc1 ZINC000065478004 201153792 /nfs/dbraw/zinc/15/37/92/201153792.db2.gz STQVUKFXGMWXLK-HNNXBMFYSA-N 1 1 333.395 3.028 50 30 EGEAMO N#Cc1cc(NC[C@@H]2CCC[C@@H]3CCCC[N@@H+]23)c([N+](=O)[O-])cc1C#N ZINC000004628959 452811353 /nfs/dbraw/zinc/81/13/53/452811353.db2.gz TWZKYQDKKNQNIW-HOTGVXAUSA-N 1 1 339.399 3.157 50 30 EGEAMO CCC[N@H+]1CCc2nc(N)c(C#N)c(-c3ccc4[nH]ccc4c3)c2C1 ZINC000072148163 454272831 /nfs/dbraw/zinc/27/28/31/454272831.db2.gz BGRSQDDPLLDXCC-UHFFFAOYSA-N 1 1 331.423 3.452 50 30 EGEAMO C[C@@H]1CCCC[N@H+]1C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 ZINC000105366444 454637245 /nfs/dbraw/zinc/63/72/45/454637245.db2.gz IHANHCGTYJEQAK-CYSZZNTHSA-N 1 1 347.499 3.388 50 30 biogenic EGEAMO C[NH+]1CCN(C(=O)c2cccc(-c3ccc(C#N)c(Cl)c3)c2)CC1 ZINC000426512171 457847216 /nfs/dbraw/zinc/84/72/16/457847216.db2.gz NZAPWKVQNGTBBY-UHFFFAOYSA-N 1 1 339.826 3.266 50 30 EGEAMO Cc1cc(C)n(CCC[N@H+](C)Cc2ccc(C#CC(C)(C)O)s2)n1 ZINC000823709215 1320198948 /nfs/dbraw/zinc/19/89/48/1320198948.db2.gz KGXBOIQASJGCQO-UHFFFAOYSA-N 1 1 345.512 3.206 50 30 EGEAMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)o2)C1 ZINC000067856809 215233264 /nfs/dbraw/zinc/23/32/64/215233264.db2.gz XWJACTRGPQCDRT-MRXNPFEDSA-N 1 1 337.423 3.166 50 30 EGEAMO CC(C)(C)[N@H+](CC#CCC1(O)c2ccccc2-c2ccccc21)CCO ZINC000002289253 452693357 /nfs/dbraw/zinc/69/33/57/452693357.db2.gz IDBLOCCNPRMCDV-UHFFFAOYSA-N 1 1 349.474 3.389 50 30 EGEAMO C=CC[N@H+](Cc1ccc(C)s1)Cc1cccc(OCC(N)=O)c1 ZINC000055108551 518778635 /nfs/dbraw/zinc/77/86/35/518778635.db2.gz LWVUHEBIMDMORB-UHFFFAOYSA-N 1 1 330.453 3.109 50 30 EGEAMO C=CCn1cc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)c(C)n1 ZINC000055404223 519278508 /nfs/dbraw/zinc/27/85/08/519278508.db2.gz YHACWPIZYIEDRK-HNNXBMFYSA-N 1 1 329.448 3.264 50 30 EGEAMO Cc1cccc(C(=[NH2+])NOC(=O)COc2cccc3ccccc32)c1 ZINC000005044206 524150200 /nfs/dbraw/zinc/15/02/00/524150200.db2.gz JNQWHUDAUFXNMO-UHFFFAOYSA-N 1 1 334.375 3.391 50 30 EGEAMO CCN(Cc1ccc(C#CC(C)(C)O)s1)C[C@H]1CC[N@@H+](CC)C1 ZINC000952868153 1334583759 /nfs/dbraw/zinc/58/37/59/1334583759.db2.gz CDYOKCDPAFRCDY-INIZCTEOSA-N 1 1 334.529 3.034 50 30 EGEAMO N#Cc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000091849229 218077600 /nfs/dbraw/zinc/07/76/00/218077600.db2.gz NISUNRFURXSHCO-HNAYVOBHSA-N 1 1 338.480 3.111 50 30 EGEAMO N#Cc1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000091849229 218077603 /nfs/dbraw/zinc/07/76/03/218077603.db2.gz NISUNRFURXSHCO-HNAYVOBHSA-N 1 1 338.480 3.111 50 30 EGEAMO COc1ccc(C(=[NH2+])NOC(=O)c2ccc(C)cc2Cl)cc1OC ZINC000004755425 523371817 /nfs/dbraw/zinc/37/18/17/523371817.db2.gz FWSHRRLPYUHXRC-UHFFFAOYSA-N 1 1 348.786 3.143 50 30 EGEAMO C#Cc1cccc(C(=O)N(C)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000012298148 1291131337 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[NH2+]=C(NOC(=O)c1cccc(F)c1)c1ccc(Br)cc1 ZINC000004723192 210259263 /nfs/dbraw/zinc/25/92/63/210259263.db2.gz OICRTTPGSQJHSG-UHFFFAOYSA-N 1 1 337.148 3.066 50 30 EGEAMO COc1cccc(/C=N/c2sc3c(c2C#N)CC[N@H+](C)C3)c1O ZINC000004150652 210133172 /nfs/dbraw/zinc/13/31/72/210133172.db2.gz FFBNQUOWACJHQL-DJKKODMXSA-N 1 1 327.409 3.072 50 30 EGEAMO COc1cccc(/C=N/c2sc3c(c2C#N)CC[N@@H+](C)C3)c1O ZINC000004150652 210133170 /nfs/dbraw/zinc/13/31/70/210133170.db2.gz FFBNQUOWACJHQL-DJKKODMXSA-N 1 1 327.409 3.072 50 30 EGEAMO C=CCOc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(C)=O)C2 ZINC000067605724 215167735 /nfs/dbraw/zinc/16/77/35/215167735.db2.gz UCJPKENNEUWHRJ-HXUWFJFHSA-N 1 1 328.456 3.086 50 30 EGEAMO CC1=C2[C@H]3OC(=O)[C@H](C[N@@H+]4CCC[C@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000012658216 453389005 /nfs/dbraw/zinc/38/90/05/453389005.db2.gz DOKPHLDPKYIWJE-XFFRTAJLSA-N 1 1 343.467 3.132 50 30 biogenic EGEAMO CC[C@H](C(=O)ONC(=[NH2+])c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000006953690 523811076 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C=CC[C@]1(CO)CCC[N@@H+](Cc2cnc(-c3cccs3)nc2)C1 ZINC000091486665 218013373 /nfs/dbraw/zinc/01/33/73/218013373.db2.gz HZPOBSGMCIWOGU-SFHVURJKSA-N 1 1 329.469 3.356 50 30 EGEAMO C=CCC[C@H](C[N@H+](C)Cc1cccnc1)Oc1ccc(Cl)nn1 ZINC000067726710 258011182 /nfs/dbraw/zinc/01/11/82/258011182.db2.gz BMCLETVXHVRQPI-OAHLLOKOSA-N 1 1 332.835 3.371 50 30 EGEAMO C[N@@H+]1CCc2c(C#N)c(/N=C/c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000002745765 277186876 /nfs/dbraw/zinc/18/68/76/277186876.db2.gz REZZCSDORLJKJP-GIJQJNRQSA-N 1 1 326.381 3.266 50 30 EGEAMO C[N@H+]1CCc2c(C#N)c(/N=C/c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000002745765 277186877 /nfs/dbraw/zinc/18/68/77/277186877.db2.gz REZZCSDORLJKJP-GIJQJNRQSA-N 1 1 326.381 3.266 50 30 EGEAMO C[N@H+](Cc1ccc(C#CC(C)(C)O)s1)C[C@@H]1Cc2ccccc2O1 ZINC000670445998 548216658 /nfs/dbraw/zinc/21/66/58/548216658.db2.gz NZJUMFUOZXKVND-INIZCTEOSA-N 1 1 341.476 3.306 50 30 EGEAMO N#Cc1cc(NC[C@H]2CCC[C@H]3CCCC[N@@H+]23)c([N+](=O)[O-])cc1C#N ZINC000004628958 210235312 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C=CCc1ccc(OC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000004173838 519139821 /nfs/dbraw/zinc/13/98/21/519139821.db2.gz BUXZZUGYOMPIKM-JZXOWHBKSA-N 1 1 333.472 3.426 50 30 EGEAMO C=CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)c(OCC=C)c1 ZINC000102813318 219232167 /nfs/dbraw/zinc/23/21/67/219232167.db2.gz DSJKIJLUWRTAIM-PIIMJCKOSA-N 1 1 329.440 3.304 50 30 EGEAMO CCn1cc(C[N@H+](C)Cc2cnn(-c3cccc(OC)c3)c2)cc1C#N ZINC000072121943 216015070 /nfs/dbraw/zinc/01/50/70/216015070.db2.gz WYJAFNRPHNNBBP-UHFFFAOYSA-N 1 1 349.438 3.206 50 30 EGEAMO CCn1cc(C[N@@H+](C)Cc2cnn(-c3cccc(OC)c3)c2)cc1C#N ZINC000072121943 216015073 /nfs/dbraw/zinc/01/50/73/216015073.db2.gz WYJAFNRPHNNBBP-UHFFFAOYSA-N 1 1 349.438 3.206 50 30 EGEAMO Cc1ccc(C#N)c(N2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)n1 ZINC000072137075 216024509 /nfs/dbraw/zinc/02/45/09/216024509.db2.gz CIHSDSGMPSAVFY-FQEVSTJZSA-N 1 1 334.467 3.405 50 30 EGEAMO N#Cc1ccccc1C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091364973 454430201 /nfs/dbraw/zinc/43/02/01/454430201.db2.gz DQUKDMFBQDKRDX-UYAOXDASSA-N 1 1 345.446 3.295 50 30 EGEAMO CC(C)(C)c1cnc(C[N@@H+]2CC[C@H](CNc3ncccc3C#N)C2)o1 ZINC000065512146 454580738 /nfs/dbraw/zinc/58/07/38/454580738.db2.gz UVPXFJNSHWHBGC-CQSZACIVSA-N 1 1 339.443 3.173 50 30 EGEAMO CC(C)(C)c1cnc(C[N@H+]2CC[C@H](CNc3ncccc3C#N)C2)o1 ZINC000065512146 454580741 /nfs/dbraw/zinc/58/07/41/454580741.db2.gz UVPXFJNSHWHBGC-CQSZACIVSA-N 1 1 339.443 3.173 50 30 EGEAMO C[C@@H](c1ccc2c(c1)OCCO2)[N@@H+](C)Cc1cc(C#CCO)cs1 ZINC000952965282 1334626308 /nfs/dbraw/zinc/62/63/08/1334626308.db2.gz GCIRVKCCVQDIRT-AWEZNQCLSA-N 1 1 343.448 3.056 50 30 EGEAMO N#Cc1ccccc1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccn2)C1 ZINC000091713623 218054032 /nfs/dbraw/zinc/05/40/32/218054032.db2.gz UTLPATIFHSMAQB-LAUBAEHRSA-N 1 1 332.451 3.050 50 30 EGEAMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2 ZINC000091713623 218054035 /nfs/dbraw/zinc/05/40/35/218054035.db2.gz UTLPATIFHSMAQB-LAUBAEHRSA-N 1 1 332.451 3.050 50 30 EGEAMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2 ZINC000091713623 218054037 /nfs/dbraw/zinc/05/40/37/218054037.db2.gz UTLPATIFHSMAQB-LAUBAEHRSA-N 1 1 332.451 3.050 50 30 EGEAMO N#Cc1cc(F)cc(C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)c1 ZINC000077356568 454096529 /nfs/dbraw/zinc/09/65/29/454096529.db2.gz WCFRVPBEQYMFIV-UHFFFAOYSA-N 1 1 343.427 3.107 50 30 EGEAMO OCC#Cc1csc(CN[C@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000019730687 1291193074 /nfs/dbraw/zinc/19/30/74/1291193074.db2.gz PUWNQFVEHKGXBA-IBGZPJMESA-N 1 1 346.540 3.226 50 30 EGEAMO OCC#Cc1csc(CN[C@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000019730687 1291193076 /nfs/dbraw/zinc/19/30/76/1291193076.db2.gz PUWNQFVEHKGXBA-IBGZPJMESA-N 1 1 346.540 3.226 50 30 EGEAMO CC[N@H+]1CCC[C@H](CN2CCc3[nH]nc(-c4cccc(C#N)c4)c3C2)C1 ZINC000019839004 1291193991 /nfs/dbraw/zinc/19/39/91/1291193991.db2.gz QPABRWDVBKXLHX-KRWDZBQOSA-N 1 1 349.482 3.038 50 30 EGEAMO CC[N@@H+]1CCC[C@H](CN2CCc3n[nH]c(-c4cccc(C#N)c4)c3C2)C1 ZINC000019839004 1291193993 /nfs/dbraw/zinc/19/39/93/1291193993.db2.gz QPABRWDVBKXLHX-KRWDZBQOSA-N 1 1 349.482 3.038 50 30 EGEAMO CC[N@H+]1CCC[C@H](CN2CCc3n[nH]c(-c4cccc(C#N)c4)c3C2)C1 ZINC000019839004 1291193998 /nfs/dbraw/zinc/19/39/98/1291193998.db2.gz QPABRWDVBKXLHX-KRWDZBQOSA-N 1 1 349.482 3.038 50 30 EGEAMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)cc1CC=C ZINC000820505664 1319900155 /nfs/dbraw/zinc/90/01/55/1319900155.db2.gz QFLRUWQKIIZXGF-IBGZPJMESA-N 1 1 328.456 3.080 50 30 EGEAMO C=CCOc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(C(C)=O)C2 ZINC000067605726 215168197 /nfs/dbraw/zinc/16/81/97/215168197.db2.gz UCJPKENNEUWHRJ-FQEVSTJZSA-N 1 1 328.456 3.086 50 30 EGEAMO Cc1cccc(C(=[NH2+])NOC(=O)c2ccc(Br)cc2)c1 ZINC000005091098 210387984 /nfs/dbraw/zinc/38/79/84/210387984.db2.gz BAGFZMFQTMIWQB-UHFFFAOYSA-N 1 1 333.185 3.235 50 30 EGEAMO C=C(C)COc1cccc(C(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000055036752 258014967 /nfs/dbraw/zinc/01/49/67/258014967.db2.gz BDAQQVLAQZQZGU-INIZCTEOSA-N 1 1 328.456 3.340 50 30 EGEAMO O=C(CCCc1ccccc1)NCC#CC[N@@H+]1CCc2ccccc2C1 ZINC000075165014 453868633 /nfs/dbraw/zinc/86/86/33/453868633.db2.gz INGQDLNFKSVXSW-UHFFFAOYSA-N 1 1 346.474 3.187 50 30 EGEAMO O=C(CCCc1ccccc1)NCC#CC[N@H+]1CCc2ccccc2C1 ZINC000075165014 453868635 /nfs/dbraw/zinc/86/86/35/453868635.db2.gz INGQDLNFKSVXSW-UHFFFAOYSA-N 1 1 346.474 3.187 50 30 EGEAMO COc1ccc([C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2N(C)C)cc1 ZINC000095501652 454222851 /nfs/dbraw/zinc/22/28/51/454222851.db2.gz GTDIODJRQLOASB-LEWJYISDSA-N 1 1 335.451 3.096 50 30 EGEAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2N(C)C)cc1 ZINC000095501652 454222854 /nfs/dbraw/zinc/22/28/54/454222854.db2.gz GTDIODJRQLOASB-LEWJYISDSA-N 1 1 335.451 3.096 50 30 EGEAMO C=CC[N@H+](C)Cc1ccc(C(=O)Nc2nn(C)c3ccccc23)cc1 ZINC000065407327 454561509 /nfs/dbraw/zinc/56/15/09/454561509.db2.gz FHQQKJXFIKEDIY-UHFFFAOYSA-N 1 1 334.423 3.443 50 30 EGEAMO C[N@H+](Cc1cc(C#CCO)cs1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000952969489 1334626784 /nfs/dbraw/zinc/62/67/84/1334626784.db2.gz NQHABQSPYBQNFR-SFHVURJKSA-N 1 1 340.492 3.050 50 30 EGEAMO C[N@H+](Cc1ccc(C#CCO)s1)C[C@H]1CCN(c2ccccc2)C1 ZINC000952986437 1334630374 /nfs/dbraw/zinc/63/03/74/1334630374.db2.gz HUBZQRCEEGDQIH-QGZVFWFLSA-N 1 1 340.492 3.050 50 30 EGEAMO C=CC[C@H]1C=C(C)C[C@H](CC=C)[N@@H+]1CC(=O)Nc1cn(C)nc1C ZINC001704312489 1416439069 /nfs/dbraw/zinc/43/90/69/1416439069.db2.gz DJGIGZWKOQNEMD-IRXDYDNUSA-N 1 1 328.460 3.208 50 30 EGEAMO N#Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3cccc4cccnc43)C2)nc1 ZINC000065496591 454578396 /nfs/dbraw/zinc/57/83/96/454578396.db2.gz FZXUANYYAXKUEZ-KRWDZBQOSA-N 1 1 343.434 3.435 50 30 EGEAMO N#Cc1ccc(NC[C@H]2CC[N@@H+](Cc3nc4ccccc4s3)C2)nc1 ZINC000065496795 454578498 /nfs/dbraw/zinc/57/84/98/454578498.db2.gz OKUHJMCXZMASLL-OAHLLOKOSA-N 1 1 349.463 3.497 50 30 EGEAMO C=C(C)COc1c(C[NH2+][C@@H](CO)c2ccccc2)cccc1OC ZINC000055072280 214268729 /nfs/dbraw/zinc/26/87/29/214268729.db2.gz JOXNRHDRGMELRM-SFHVURJKSA-N 1 1 327.424 3.473 50 30 EGEAMO C=CCn1cc(C[NH+]2CCN(c3ccccc3OCC)CC2)c(C)n1 ZINC000055358020 214312020 /nfs/dbraw/zinc/31/20/20/214312020.db2.gz WGEHWIYHQUGMFR-UHFFFAOYSA-N 1 1 340.471 3.098 50 30 EGEAMO N#Cc1cc(NC[C@H]2CCC[C@@H]3CCCC[N@@H+]23)c([N+](=O)[O-])cc1C#N ZINC000004628961 210235385 /nfs/dbraw/zinc/23/53/85/210235385.db2.gz TWZKYQDKKNQNIW-JKSUJKDBSA-N 1 1 339.399 3.157 50 30 EGEAMO C=CCNC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccccc2C)C1 ZINC000012298434 258017208 /nfs/dbraw/zinc/01/72/08/258017208.db2.gz SOVPDZPBBRWHIP-GOSISDBHSA-N 1 1 329.488 3.077 50 30 EGEAMO Cc1cc(C)c(C#N)c(N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000006759647 452983876 /nfs/dbraw/zinc/98/38/76/452983876.db2.gz JAZFOWWNQMCNEW-RMKNXTFCSA-N 1 1 332.451 3.406 50 30 EGEAMO C[N@@H+](CC#CCNC(=O)Cc1ccccc1Cl)Cc1ccccc1 ZINC000085470630 454030265 /nfs/dbraw/zinc/03/02/65/454030265.db2.gz FIPFMGCVOVOZBK-UHFFFAOYSA-N 1 1 340.854 3.134 50 30 EGEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCCC[C@H]4CO)[C@H]3C[C@@H]12 ZINC000252695221 455828671 /nfs/dbraw/zinc/82/86/71/455828671.db2.gz WNVZVCLBASTOLF-WKOMVXTHSA-N 1 1 347.499 3.147 50 30 biogenic EGEAMO COc1ccc(C(=[NH2+])NOC(=O)c2ccc(C)c(Cl)c2)cc1OC ZINC000004802736 523372146 /nfs/dbraw/zinc/37/21/46/523372146.db2.gz XNFMYAVEKZLUNG-UHFFFAOYSA-N 1 1 348.786 3.143 50 30 EGEAMO C=CCN(Cc1cccc(OC)c1)C(=O)CC[N@H+]1C[C@@H]2CC[C@H]1C2 ZINC000952869110 1334583837 /nfs/dbraw/zinc/58/38/37/1334583837.db2.gz ILWHSINKOXGLAH-MSOLQXFVSA-N 1 1 328.456 3.084 50 30 EGEAMO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)Cc3ccccc3)C2)cc1C#N ZINC000072424569 216214438 /nfs/dbraw/zinc/21/44/38/216214438.db2.gz MGGVARJQTPZNEN-LJQANCHMSA-N 1 1 335.451 3.403 50 30 EGEAMO C/C(=N/N1CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000019771557 212063359 /nfs/dbraw/zinc/06/33/59/212063359.db2.gz XFNIWBVNLOBNQR-SILNSSARSA-N 1 1 338.411 3.137 50 30 EGEAMO N#Cc1ccccc1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000095378341 218310956 /nfs/dbraw/zinc/31/09/56/218310956.db2.gz FASXGFRHXZZVHM-LAUBAEHRSA-N 1 1 332.451 3.050 50 30 EGEAMO CCOC(=O)[C@H](C#N)[C@]1(Cc2ccccc2)C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000244685585 455275891 /nfs/dbraw/zinc/27/58/91/455275891.db2.gz ISTLFIQBNBWVQL-JMVFIXPQSA-N 1 1 328.456 3.278 50 30 EGEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCCC[C@@H]4CO)[C@H]3C[C@H]12 ZINC000004046982 452791232 /nfs/dbraw/zinc/79/12/32/452791232.db2.gz WNVZVCLBASTOLF-WGVHSKNFSA-N 1 1 347.499 3.147 50 30 biogenic EGEAMO Cc1ccc2nc(C3C(O)=CN([C@H](C)c4ccccc4)C3=[NH2+])[nH]c2c1 ZINC000005182874 452843072 /nfs/dbraw/zinc/84/30/72/452843072.db2.gz UJMANQWFJVPDLK-CYBMUJFWSA-N 1 1 332.407 3.145 50 30 EGEAMO C[C@@H](C(=O)ONC(=[NH2+])c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000008576404 453217038 /nfs/dbraw/zinc/21/70/38/453217038.db2.gz CDXHIHQEZNUDKL-SNVBAGLBSA-N 1 1 347.758 3.215 50 30 EGEAMO C=CC[NH+](CC=C)Cc1c(C)[nH]c2c(OC)cc(OC)cc2c1=O ZINC000008717250 453226966 /nfs/dbraw/zinc/22/69/66/453226966.db2.gz UUUMPRLLAAVINK-UHFFFAOYSA-N 1 1 328.412 3.440 50 30 EGEAMO COc1cc2c(cc1OC)[C@@H]1C/C(=N\O)[C@H](CC(C)C)C[N@H+]1CC2 ZINC000012401410 453359598 /nfs/dbraw/zinc/35/95/98/453359598.db2.gz APWMOWABPJKXTE-ASSFOTHBSA-N 1 1 332.444 3.499 50 30 EGEAMO C=CCN(Cc1ccccc1OC)C(=O)CCn1cc[nH+]c1CC ZINC000055415111 518786292 /nfs/dbraw/zinc/78/62/92/518786292.db2.gz AHAXDAFYBNAAAD-UHFFFAOYSA-N 1 1 327.428 3.059 50 30 EGEAMO C=CCc1cc(CN2CCOC3(CC[NH2+]CC3)C2)ccc1OC(C)C ZINC000820505637 1319900761 /nfs/dbraw/zinc/90/07/61/1319900761.db2.gz KVTDDMKCLSCAHD-UHFFFAOYSA-N 1 1 344.499 3.157 50 30 EGEAMO Cc1cc(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)nn1C(C)(C)C ZINC000004394897 210186895 /nfs/dbraw/zinc/18/68/95/210186895.db2.gz OJWGQNDRJNIVII-UHFFFAOYSA-N 1 1 334.807 3.077 50 30 EGEAMO [NH2+]=C(NOC(=O)C=Cc1ccccc1)c1cccc(Br)c1 ZINC000012655352 453388375 /nfs/dbraw/zinc/38/83/75/453388375.db2.gz KOMITMJAIQFYHH-MDZDMXLPSA-N 1 1 345.196 3.326 50 30 EGEAMO C[N@@H+](Cc1ccc(C#CC(C)(C)O)s1)Cc1ccc2nonc2c1 ZINC000823709198 1320199210 /nfs/dbraw/zinc/19/92/10/1320199210.db2.gz FSYRIXZWOSMIRG-UHFFFAOYSA-N 1 1 341.436 3.039 50 30 EGEAMO COc1nc(C)c(-c2cccc(C[NH+]3CCOCC3)c2)c(C)c1C#N ZINC000067872225 215236384 /nfs/dbraw/zinc/23/63/84/215236384.db2.gz SEKDWQOJDSQORZ-UHFFFAOYSA-N 1 1 337.423 3.078 50 30 EGEAMO C=CC[C@]1(CO)CCC[N@H+](Cc2ccc(OC(C)C)c(CO)c2)C1 ZINC000091651139 218039827 /nfs/dbraw/zinc/03/98/27/218039827.db2.gz CCINYGOAIZRAGD-FQEVSTJZSA-N 1 1 333.472 3.117 50 30 EGEAMO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000095357862 218291789 /nfs/dbraw/zinc/29/17/89/218291789.db2.gz JUOYGULCILMIDZ-IBGZPJMESA-N 1 1 339.483 3.335 50 30 EGEAMO CC(C)(C)[N@H+](CC#CC(O)(c1ccccc1)c1ccccc1)CCO ZINC000002288358 452692989 /nfs/dbraw/zinc/69/29/89/452692989.db2.gz FHUGZXQNMAIUBO-UHFFFAOYSA-N 1 1 337.463 3.019 50 30 EGEAMO CCCOc1ccc(-c2nc(C#N)c(N3CC[NH+](CC)CC3)o2)cc1 ZINC000002422666 452697654 /nfs/dbraw/zinc/69/76/54/452697654.db2.gz XTWUFIGSHOSSSS-UHFFFAOYSA-N 1 1 340.427 3.144 50 30 EGEAMO Cc1ccccc1N[NH+]=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005337864 452861534 /nfs/dbraw/zinc/86/15/34/452861534.db2.gz SFCJIKAAINHXAT-CPNJWEJPSA-N 1 1 340.383 3.186 50 30 EGEAMO C[N@H+]1CCCN(c2oc(C34CC5CC(CC(C5)C3)C4)nc2C#N)CC1 ZINC000072427533 454295695 /nfs/dbraw/zinc/29/56/95/454295695.db2.gz PEPUYROMXUKDTM-UHFFFAOYSA-N 1 1 340.471 3.156 50 30 EGEAMO Cc1ccc(OCC(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc1C ZINC000004819564 525398083 /nfs/dbraw/zinc/39/80/83/525398083.db2.gz GGCDMBLOJUEWOQ-UHFFFAOYSA-N 1 1 332.787 3.199 50 30 EGEAMO O=C(/C=C/C(=O)c1ccccc1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004064030 527593293 /nfs/dbraw/zinc/59/32/93/527593293.db2.gz IIAHFBKBTSDKEN-AAIOHFERSA-N 1 1 327.424 3.233 50 30 biogenic EGEAMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)C2CCCCC2)C1 ZINC000067880296 215238635 /nfs/dbraw/zinc/23/86/35/215238635.db2.gz QZZKLCIFIGENMP-KRWDZBQOSA-N 1 1 339.483 3.467 50 30 EGEAMO C[N@H+]1CCc2nc(N)c(C#N)c(-c3cccc(-c4ccccn4)c3)c2C1 ZINC000072172481 216063378 /nfs/dbraw/zinc/06/33/78/216063378.db2.gz GSEKBAMQKXZZCL-UHFFFAOYSA-N 1 1 341.418 3.252 50 30 EGEAMO CC1(C)C[C@](CCC#N)(C2N3CC4(C)C[NH+]2CC(C)(C3)C4)CCO1 ZINC000019331586 212016553 /nfs/dbraw/zinc/01/65/53/212016553.db2.gz HQKNMQSCTTUDNB-WYDVDPGPSA-N 1 1 331.504 3.239 50 30 biogenic EGEAMO C=CCC[C@H](C[N@@H+](C)Cc1cccnc1)Oc1cccc(OC)n1 ZINC000067742380 258010782 /nfs/dbraw/zinc/01/07/82/258010782.db2.gz YLEILFJQYJXLKB-QGZVFWFLSA-N 1 1 327.428 3.331 50 30 EGEAMO N#Cc1ccc(NC[C@H]2CC[N@@H+](Cc3cccc4cccnc43)C2)nc1 ZINC000065496585 454578795 /nfs/dbraw/zinc/57/87/95/454578795.db2.gz FZXUANYYAXKUEZ-QGZVFWFLSA-N 1 1 343.434 3.435 50 30 EGEAMO CO[C@]12CC[N@@H+](Cc3cccc(C#N)c3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426641450 457868752 /nfs/dbraw/zinc/86/87/52/457868752.db2.gz UXPSKWSWNRQCCZ-QHAWAJNXSA-N 1 1 340.467 3.497 50 30 EGEAMO C=CCc1cc(C)ccc1OCCOCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020167265 519129055 /nfs/dbraw/zinc/12/90/55/519129055.db2.gz PIPKRWKAGGDCBT-QZTJIDSGSA-N 1 1 333.472 3.228 50 30 EGEAMO C=CCSc1nnc([C@H]2CCC[N@@H+](Cc3ccccc3O)C2)n1C ZINC000020820241 212173621 /nfs/dbraw/zinc/17/36/21/212173621.db2.gz QALIMDNNYMVREN-HNNXBMFYSA-N 1 1 344.484 3.178 50 30 EGEAMO C=CCC[C@@H](C[N@@H+](C)Cc1cccnc1)Oc1cccc(OC)n1 ZINC000067742381 258011054 /nfs/dbraw/zinc/01/10/54/258011054.db2.gz YLEILFJQYJXLKB-KRWDZBQOSA-N 1 1 327.428 3.331 50 30 EGEAMO C=CCN(Cc1ccc(C)s1)C(=O)C[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000055042719 258015068 /nfs/dbraw/zinc/01/50/68/258015068.db2.gz DVWKFALIRYNFNL-INIZCTEOSA-N 1 1 336.501 3.070 50 30 EGEAMO COc1ccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C)c(C)c1 ZINC000067446878 286263050 /nfs/dbraw/zinc/26/30/50/286263050.db2.gz HTPUVHFWPQNAKD-YVEFUNNKSA-N 1 1 334.423 3.211 50 30 EGEAMO CCOc1cccc(/C=N/c2sc3c(c2C#N)CC[N@@H+](C)C3)c1O ZINC000001306048 452653407 /nfs/dbraw/zinc/65/34/07/452653407.db2.gz XXJMVSKJVGJFGQ-KEBDBYFISA-N 1 1 341.436 3.463 50 30 EGEAMO CCOc1cccc(/C=N/c2sc3c(c2C#N)CC[N@H+](C)C3)c1O ZINC000001306048 452653412 /nfs/dbraw/zinc/65/34/12/452653412.db2.gz XXJMVSKJVGJFGQ-KEBDBYFISA-N 1 1 341.436 3.463 50 30 EGEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCCC[C@@H]4CO)[C@H]3C[C@@H]12 ZINC000004046979 452790209 /nfs/dbraw/zinc/79/02/09/452790209.db2.gz WNVZVCLBASTOLF-OETXXJDVSA-N 1 1 347.499 3.147 50 30 biogenic EGEAMO COc1ccc(C[N@H+]2CC[C@H](CNc3ncccc3C#N)C2)cc1F ZINC000065498649 454578002 /nfs/dbraw/zinc/57/80/02/454578002.db2.gz QXKUAOHZLFNTCD-OAHLLOKOSA-N 1 1 340.402 3.035 50 30 EGEAMO Cc1cc(C)n2ncc(C[NH+]3CCC(C#N)(c4ccccc4)CC3)c2n1 ZINC000215930612 456027329 /nfs/dbraw/zinc/02/73/29/456027329.db2.gz JRPGQFFIUQNEPG-UHFFFAOYSA-N 1 1 345.450 3.404 50 30 EGEAMO C=CCn1ncc(C[N@@H+](Cc2ccc(F)cc2)[C@@H](CC)CO)c1C ZINC000055199416 214287482 /nfs/dbraw/zinc/28/74/82/214287482.db2.gz AJBZLXDWTNEGET-IBGZPJMESA-N 1 1 331.435 3.290 50 30 EGEAMO C=CCSc1nnc([C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)n1C ZINC000020820237 212174287 /nfs/dbraw/zinc/17/42/87/212174287.db2.gz QALIMDNNYMVREN-OAHLLOKOSA-N 1 1 344.484 3.178 50 30 EGEAMO CC[N@H+](CC#C[C@](O)(c1ccccc1)C1(CC)CCCC1)CCO ZINC000002286967 258017552 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C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)C#Cc2ccccc2)C1 ZINC000012707400 453392176 /nfs/dbraw/zinc/39/21/76/453392176.db2.gz UNSCKPLMKVOQES-OAQYLSRUSA-N 1 1 332.447 3.161 50 30 EGEAMO C[N@@H+](CC#CCNC(=O)Nc1ccccc1F)Cc1ccccc1 ZINC000085470654 454030209 /nfs/dbraw/zinc/03/02/09/454030209.db2.gz UHXIFBCQNCNNBP-UHFFFAOYSA-N 1 1 325.387 3.083 50 30 EGEAMO [NH2+]=C(NOC(=O)COc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004685096 526807997 /nfs/dbraw/zinc/80/79/97/526807997.db2.gz ZASVILLVQJENIK-UHFFFAOYSA-N 1 1 339.178 3.236 50 30 EGEAMO N#Cc1cccnc1NC[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000065512078 201155365 /nfs/dbraw/zinc/15/53/65/201155365.db2.gz KKCMHPBTOCOHHC-AWEZNQCLSA-N 1 1 333.395 3.028 50 30 EGEAMO CC1=C2[C@H]3OC(=O)[C@@H](C[N@@H+]4CCC[C@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000004027315 452790653 /nfs/dbraw/zinc/79/06/53/452790653.db2.gz DOKPHLDPKYIWJE-MCMGAVPUSA-N 1 1 343.467 3.132 50 30 biogenic EGEAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)Cn1cc(/C=N/O)c2ccccc21 ZINC000004247652 452797966 /nfs/dbraw/zinc/79/79/66/452797966.db2.gz SGYVGMPHVDOWDO-YUIYSEAXSA-N 1 1 329.444 3.073 50 30 EGEAMO N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)C3CCCCC3)C2)c1 ZINC000067787248 453966223 /nfs/dbraw/zinc/96/62/23/453966223.db2.gz QUWDBHLAGIJMTP-GOSISDBHSA-N 1 1 325.456 3.077 50 30 EGEAMO N#Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095391984 454201974 /nfs/dbraw/zinc/20/19/74/454201974.db2.gz RXXVUXULGCZKNE-AZUAARDMSA-N 1 1 345.446 3.295 50 30 EGEAMO Cc1ccccc1C(=O)ONC(=[NH2+])c1cccc(Br)c1 ZINC000004832543 525065400 /nfs/dbraw/zinc/06/54/00/525065400.db2.gz PUIPIOCXXUXUSV-UHFFFAOYSA-N 1 1 333.185 3.235 50 30 EGEAMO CC(C)[C@H]1CN(C(=O)c2ccccc2C#N)CCC[N@H+]1CC1CC1 ZINC000071765526 203110940 /nfs/dbraw/zinc/11/09/40/203110940.db2.gz JDHCFZHFZVWMTI-LJQANCHMSA-N 1 1 325.456 3.141 50 30 EGEAMO CCOc1ccc(NC(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)cc1C#N ZINC000299758542 258075815 /nfs/dbraw/zinc/07/58/15/258075815.db2.gz KBYUBIIZXJKFLZ-AWEZNQCLSA-N 1 1 342.443 3.047 50 30 EGEAMO CC[C@H](Oc1ccccc1)C(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000004986154 522889683 /nfs/dbraw/zinc/88/96/83/522889683.db2.gz DXPGXQMYLVFOBN-HNNXBMFYSA-N 1 1 332.787 3.361 50 30 EGEAMO [NH2+]=C(NOC(=O)C1CCCCC1)c1cccc(Br)c1 ZINC000004833533 526806213 /nfs/dbraw/zinc/80/62/13/526806213.db2.gz UHKICGFKSRJQOJ-UHFFFAOYSA-N 1 1 325.206 3.193 50 30 EGEAMO OCCC#Cc1ccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000012430103 527529889 /nfs/dbraw/zinc/52/98/89/527529889.db2.gz XICGIUUGZZBSOH-JOCHJYFZSA-N 1 1 334.463 3.497 50 30 EGEAMO C=CCn1ncc(C[N@@H+](Cc2ccc(F)cc2)[C@H](CC)CO)c1C ZINC000055199420 214287258 /nfs/dbraw/zinc/28/72/58/214287258.db2.gz AJBZLXDWTNEGET-LJQANCHMSA-N 1 1 331.435 3.290 50 30 EGEAMO CC(=O)Nc1sc2c(c1C#N)CC[N@H+](CCc1ccccc1)C2 ZINC000019873294 202024128 /nfs/dbraw/zinc/02/41/28/202024128.db2.gz QGAYUXGMWWSMMX-UHFFFAOYSA-N 1 1 325.437 3.179 50 30 EGEAMO C=CCOc1ccccc1CN1CC[N@@H+](C2CCCC2)[C@H](CCO)C1 ZINC000019300519 212013897 /nfs/dbraw/zinc/01/38/97/212013897.db2.gz IZPCHOJBEQYCOI-HXUWFJFHSA-N 1 1 344.499 3.063 50 30 EGEAMO CCCC[N@H+](CC#CC(O)(c1ccccc1)c1ccccc1)CCO ZINC000002285519 452692277 /nfs/dbraw/zinc/69/22/77/452692277.db2.gz BVVLMJNULJYIDK-UHFFFAOYSA-N 1 1 337.463 3.020 50 30 EGEAMO C=CC[N@H+](Cc1cc(C)n(-n2cnnc2)c1C)Cc1ccc(F)cc1 ZINC000055413193 518776211 /nfs/dbraw/zinc/77/62/11/518776211.db2.gz JXUMLAHKNFIABW-UHFFFAOYSA-N 1 1 339.418 3.335 50 30 EGEAMO CC(C)Oc1ccc(/C=N/CC[C@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004815139 519778270 /nfs/dbraw/zinc/77/82/70/519778270.db2.gz CLJGDQRPOPPOBX-XOTUFCPGSA-N 1 1 332.488 3.374 50 30 EGEAMO CC(C)Oc1ccc(/C=N/CC[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004815139 519778271 /nfs/dbraw/zinc/77/82/71/519778271.db2.gz CLJGDQRPOPPOBX-XOTUFCPGSA-N 1 1 332.488 3.374 50 30 EGEAMO CCN(Cc1ccc(C#CC(C)(C)O)s1)C[C@@H]1CC[N@@H+](CC)C1 ZINC000952868157 1334584001 /nfs/dbraw/zinc/58/40/01/1334584001.db2.gz CDYOKCDPAFRCDY-MRXNPFEDSA-N 1 1 334.529 3.034 50 30 EGEAMO C[N@H+](Cc1ccc(C#CCO)s1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000952986436 1334630706 /nfs/dbraw/zinc/63/07/06/1334630706.db2.gz HUBZQRCEEGDQIH-KRWDZBQOSA-N 1 1 340.492 3.050 50 30 EGEAMO C=CCOc1ccc(C(=O)N(CC)C[C@@H]2CC[N@@H+](C)C2)cc1OCC ZINC000055100503 214273251 /nfs/dbraw/zinc/27/32/51/214273251.db2.gz QIULLFZPFBXHDG-MRXNPFEDSA-N 1 1 346.471 3.064 50 30 EGEAMO CCn1cc(C[N@H+]2CCCC[C@H]2CCn2ccnc2C)cc1C#N ZINC000077436441 203388750 /nfs/dbraw/zinc/38/87/50/203388750.db2.gz FUCDKQAOZHFYLK-SFHVURJKSA-N 1 1 325.460 3.329 50 30 EGEAMO C=CCCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2OC)C1 ZINC000012373700 258017434 /nfs/dbraw/zinc/01/74/34/258017434.db2.gz VJXCROOMBCHNER-GOSISDBHSA-N 1 1 344.499 3.374 50 30 EGEAMO CNC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013556527 453469495 /nfs/dbraw/zinc/46/94/95/453469495.db2.gz LXCPVMCENUAIIM-UHFFFAOYSA-N 1 1 325.481 3.309 50 30 EGEAMO CC[C@H](C(=O)NCC#CC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000075165010 453868209 /nfs/dbraw/zinc/86/82/09/453868209.db2.gz XUDQWKXUYXOFSD-QFIPXVFZSA-N 1 1 346.474 3.358 50 30 EGEAMO CC[C@H](C(=O)NCC#CC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000075165010 453868213 /nfs/dbraw/zinc/86/82/13/453868213.db2.gz XUDQWKXUYXOFSD-QFIPXVFZSA-N 1 1 346.474 3.358 50 30 EGEAMO Cc1ccoc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000067773858 453965439 /nfs/dbraw/zinc/96/54/39/453965439.db2.gz SXOVOJGGLUSCAW-MRXNPFEDSA-N 1 1 337.423 3.102 50 30 EGEAMO CC(C)(C)C(=O)NCC[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000067966494 453985004 /nfs/dbraw/zinc/98/50/04/453985004.db2.gz UENXZLVZAAOGFG-MRXNPFEDSA-N 1 1 327.472 3.323 50 30 EGEAMO Cc1ccccc1N1CC[N@@H+](Cc2cc(C#CCO)cs2)[C@@H](C)C1 ZINC000106251583 454687400 /nfs/dbraw/zinc/68/74/00/454687400.db2.gz CAFPEFOKPLFBPS-KRWDZBQOSA-N 1 1 340.492 3.111 50 30 EGEAMO CN(C(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000426612678 457861861 /nfs/dbraw/zinc/86/18/61/457861861.db2.gz KWOCRKTWKLPBHF-GOSISDBHSA-N 1 1 337.398 3.140 50 30 EGEAMO CC(C)(C)c1ccc(OCC(=O)ONC(=[NH2+])c2ccccc2)cc1 ZINC000004898442 519039899 /nfs/dbraw/zinc/03/98/99/519039899.db2.gz JZCRYVTYDPZKNO-UHFFFAOYSA-N 1 1 326.396 3.227 50 30 EGEAMO C=CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)C[C@H]1C ZINC000952961024 1334625670 /nfs/dbraw/zinc/62/56/70/1334625670.db2.gz ADPHHBWFTRUWAX-HZPDHXFCSA-N 1 1 338.455 3.106 50 30 EGEAMO C=CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)C[C@H]1C ZINC000952961024 1334625674 /nfs/dbraw/zinc/62/56/74/1334625674.db2.gz ADPHHBWFTRUWAX-HZPDHXFCSA-N 1 1 338.455 3.106 50 30 EGEAMO N#Cc1cccnc1NC[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000065478017 201154516 /nfs/dbraw/zinc/15/45/16/201154516.db2.gz BIXYXAPDINHAEW-CQSZACIVSA-N 1 1 349.463 3.497 50 30 EGEAMO COc1ccc(F)cc1C[N@H+]1CC[C@@H](CNc2ncccc2C#N)C1 ZINC000065478012 201154886 /nfs/dbraw/zinc/15/48/86/201154886.db2.gz UIDXCAZPNZSWLX-AWEZNQCLSA-N 1 1 340.402 3.035 50 30 EGEAMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)o1 ZINC000215371848 241122293 /nfs/dbraw/zinc/12/22/93/241122293.db2.gz VWNLRVYZTGFNNP-OAHLLOKOSA-N 1 1 333.395 3.316 50 30 EGEAMO N#Cc1c(N)nc2c(c1-c1ccco1)C[N@@H+](CCc1ccccc1)CC2 ZINC000071523962 203098397 /nfs/dbraw/zinc/09/83/97/203098397.db2.gz JQJVMYOWOWDOLF-UHFFFAOYSA-N 1 1 344.418 3.396 50 30 EGEAMO Cc1c(C[N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)cc(C#N)n1C ZINC000072128867 203165214 /nfs/dbraw/zinc/16/52/14/203165214.db2.gz BHAPAOIWOGMEGF-UHFFFAOYSA-N 1 1 337.402 3.162 50 30 EGEAMO Cc1c(C[N@@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)cc(C#N)n1C ZINC000072128867 203165218 /nfs/dbraw/zinc/16/52/18/203165218.db2.gz BHAPAOIWOGMEGF-UHFFFAOYSA-N 1 1 337.402 3.162 50 30 EGEAMO [NH2+]=C(NOC(=O)c1ccc(F)cc1)c1cccc(Br)c1 ZINC000004832004 452818862 /nfs/dbraw/zinc/81/88/62/452818862.db2.gz VSPCBLAWPSBBHN-UHFFFAOYSA-N 1 1 337.148 3.066 50 30 EGEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCCC[C@H]4CO)[C@H]3C[C@H]12 ZINC000252695222 455829194 /nfs/dbraw/zinc/82/91/94/455829194.db2.gz WNVZVCLBASTOLF-YKFXCJJJSA-N 1 1 347.499 3.147 50 30 biogenic EGEAMO C#CCN1CCC([NH2+]C[C@H](c2ccccc2)N2CCCCCC2)CC1 ZINC000820365061 1319877684 /nfs/dbraw/zinc/87/76/84/1319877684.db2.gz HMQMRQKXCCFBTD-JOCHJYFZSA-N 1 1 339.527 3.291 50 30 EGEAMO C=CCc1cccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000019891494 202025659 /nfs/dbraw/zinc/02/56/59/202025659.db2.gz LWAMRPZXYOPFHT-CJLVFECKSA-N 1 1 335.451 3.272 50 30 EGEAMO O=C(NCC#CC[N@@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000070641601 202336196 /nfs/dbraw/zinc/33/61/96/202336196.db2.gz DGJKAXSTEDAFJW-UHFFFAOYSA-N 1 1 338.838 3.132 50 30 EGEAMO O=C(NCC#CC[N@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000070641601 202336198 /nfs/dbraw/zinc/33/61/98/202336198.db2.gz DGJKAXSTEDAFJW-UHFFFAOYSA-N 1 1 338.838 3.132 50 30 EGEAMO Cc1cccc2[nH]c([C@@H]3CCC[N@H+](Cc4cc(C#N)n(C)c4)C3)nc21 ZINC000072158772 203176390 /nfs/dbraw/zinc/17/63/90/203176390.db2.gz VQTITWYIVKCHMD-MRXNPFEDSA-N 1 1 333.439 3.461 50 30 EGEAMO Cc1cccc2nc([C@@H]3CCC[N@@H+](Cc4cc(C#N)n(C)c4)C3)[nH]c21 ZINC000072158772 203176392 /nfs/dbraw/zinc/17/63/92/203176392.db2.gz VQTITWYIVKCHMD-MRXNPFEDSA-N 1 1 333.439 3.461 50 30 EGEAMO Cc1cccc2nc([C@@H]3CCC[N@H+](Cc4cc(C#N)n(C)c4)C3)[nH]c21 ZINC000072158772 203176396 /nfs/dbraw/zinc/17/63/96/203176396.db2.gz VQTITWYIVKCHMD-MRXNPFEDSA-N 1 1 333.439 3.461 50 30 EGEAMO Cc1[nH+]ccn1C[C@@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000077337915 203381262 /nfs/dbraw/zinc/38/12/62/203381262.db2.gz WFSWWUVKDPYAGA-INIZCTEOSA-N 1 1 335.455 3.254 50 30 EGEAMO C=CCOc1ccccc1CN1CC[N@@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000019300521 212014020 /nfs/dbraw/zinc/01/40/20/212014020.db2.gz IZPCHOJBEQYCOI-FQEVSTJZSA-N 1 1 344.499 3.063 50 30 EGEAMO C[NH+]1CCN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000002288789 452693533 /nfs/dbraw/zinc/69/35/33/452693533.db2.gz PDNZQQNYZWNULD-WOJGMQOQSA-N 1 1 348.790 3.090 50 30 EGEAMO CC#CC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000012713863 453392927 /nfs/dbraw/zinc/39/29/27/453392927.db2.gz ZVEQFPKFVNDGHQ-KRWDZBQOSA-N 1 1 332.875 3.076 50 30 EGEAMO C[N@H+]1CCC[C@H](CCC(=O)N2CCC(c3cccc(C#N)c3)CC2)C1 ZINC000092077440 454517811 /nfs/dbraw/zinc/51/78/11/454517811.db2.gz AYOWSRJODHUCDN-QGZVFWFLSA-N 1 1 339.483 3.386 50 30 EGEAMO N#Cc1cccc(C[N@@H+]2CCC=C(CNC(=O)c3cccs3)C2)c1 ZINC000065396707 454559171 /nfs/dbraw/zinc/55/91/71/454559171.db2.gz UHGNPLIXRLQWLF-UHFFFAOYSA-N 1 1 337.448 3.182 50 30 EGEAMO C[C@@H]1CCC[N@@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@@H]5[C@H]23)C1 ZINC001772492825 1441415944 /nfs/dbraw/zinc/41/59/44/1441415944.db2.gz CSUXALKSMYDBAB-JBAAOHBASA-N 1 1 347.499 3.244 50 30 EGEAMO C/C(=N/N1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000019771424 202019111 /nfs/dbraw/zinc/01/91/11/202019111.db2.gz POPQCWHICGMKLR-SILNSSARSA-N 1 1 338.411 3.137 50 30 EGEAMO Cc1cccc2nc(C3CC[NH+](Cc4cc(C#N)n(C)c4)CC3)[nH]c21 ZINC000072154984 203174265 /nfs/dbraw/zinc/17/42/65/203174265.db2.gz ZKUDWLBQVHEAFS-UHFFFAOYSA-N 1 1 333.439 3.461 50 30 EGEAMO C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1ccc(Cl)nn1 ZINC000067726717 258011329 /nfs/dbraw/zinc/01/13/29/258011329.db2.gz BMCLETVXHVRQPI-HNNXBMFYSA-N 1 1 332.835 3.371 50 30 EGEAMO CC1=C2[C@H]3OC(=O)[C@@H](C[N@@H+]4CCC[C@@H](C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000004027314 452791106 /nfs/dbraw/zinc/79/11/06/452791106.db2.gz DOKPHLDPKYIWJE-GFPJEESVSA-N 1 1 343.467 3.132 50 30 biogenic EGEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCC[C@@H]4COC)[C@H]3C[C@@H]12 ZINC000004088696 452793565 /nfs/dbraw/zinc/79/35/65/452793565.db2.gz LYZJRMREVMQKQK-OETXXJDVSA-N 1 1 347.499 3.411 50 30 biogenic EGEAMO Cc1ccccc1NC(=O)NCC#CC[N@@H+]1CCc2ccccc2C1 ZINC000075165073 453868529 /nfs/dbraw/zinc/86/85/29/453868529.db2.gz KUUHPORGLLIBBF-UHFFFAOYSA-N 1 1 333.435 3.178 50 30 EGEAMO Cc1ccccc1NC(=O)NCC#CC[N@H+]1CCc2ccccc2C1 ZINC000075165073 453868533 /nfs/dbraw/zinc/86/85/33/453868533.db2.gz KUUHPORGLLIBBF-UHFFFAOYSA-N 1 1 333.435 3.178 50 30 EGEAMO CCn1cc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)cc1C#N ZINC000091755712 454466472 /nfs/dbraw/zinc/46/64/72/454466472.db2.gz FESZIZOMCCFVBU-PZJWPPBQSA-N 1 1 348.494 3.476 50 30 EGEAMO CN(C(=O)C[NH+]1CCC(C#N)(c2ccccc2)CC1)C1CCCCC1 ZINC000252479974 455807491 /nfs/dbraw/zinc/80/74/91/455807491.db2.gz BQYYUTBKNWAVJU-UHFFFAOYSA-N 1 1 339.483 3.335 50 30 EGEAMO C[C@H](c1ccc2c(c1)OCCO2)[N@@H+](C)Cc1cc(C#CCO)cs1 ZINC000952965285 1334626053 /nfs/dbraw/zinc/62/60/53/1334626053.db2.gz GCIRVKCCVQDIRT-CQSZACIVSA-N 1 1 343.448 3.056 50 30 EGEAMO COc1cccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3C)CC2)c1 ZINC000019791033 202021394 /nfs/dbraw/zinc/02/13/94/202021394.db2.gz USULRIAYAYZDBJ-PXLXIMEGSA-N 1 1 337.467 3.464 50 30 EGEAMO C[N@H+]1CCc2nc(SCCOc3ccccc3)c(C#N)cc2C1 ZINC000020000410 202029482 /nfs/dbraw/zinc/02/94/82/202029482.db2.gz PVINTFPXPQAQMT-UHFFFAOYSA-N 1 1 325.437 3.112 50 30 EGEAMO COc1ccc(F)cc1C[N@H+]1CC[C@H](CNc2ccc(C#N)cn2)C1 ZINC000065531021 201156078 /nfs/dbraw/zinc/15/60/78/201156078.db2.gz HTKHKQHLJOFKSV-OAHLLOKOSA-N 1 1 340.402 3.035 50 30 EGEAMO CC(C)(C)C(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000067966492 453984956 /nfs/dbraw/zinc/98/49/56/453984956.db2.gz UENXZLVZAAOGFG-INIZCTEOSA-N 1 1 327.472 3.323 50 30 EGEAMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)cc1 ZINC000091987299 454500004 /nfs/dbraw/zinc/50/00/04/454500004.db2.gz BRLQZUVBXXNGPF-LEWJYISDSA-N 1 1 345.446 3.181 50 30 EGEAMO CCn1cc(C[N@@H+]2CCN(c3ccccc3OC)C[C@H]2C)cc1C#N ZINC000106946196 454734984 /nfs/dbraw/zinc/73/49/84/454734984.db2.gz VTJQDNQJAXTJON-MRXNPFEDSA-N 1 1 338.455 3.099 50 30 EGEAMO CCn1cc(C[N@H+]2CCN(c3ccccc3OC)C[C@H]2C)cc1C#N ZINC000106946196 454734990 /nfs/dbraw/zinc/73/49/90/454734990.db2.gz VTJQDNQJAXTJON-MRXNPFEDSA-N 1 1 338.455 3.099 50 30 EGEAMO Cc1cccc(C(=[NH2+])NOC(=O)c2ccccc2Br)c1 ZINC000004170081 524150177 /nfs/dbraw/zinc/15/01/77/524150177.db2.gz YWZDFZMKMFEXOQ-UHFFFAOYSA-N 1 1 333.185 3.235 50 30 EGEAMO Cc1cc(C)n(CCC[N@H+](C)Cc2ccc(C#CC(C)(C)O)cc2)n1 ZINC000823708546 1320199346 /nfs/dbraw/zinc/19/93/46/1320199346.db2.gz OKJICAMDRYFMGA-UHFFFAOYSA-N 1 1 339.483 3.144 50 30 EGEAMO C[N@H+]1CCc2nc(SCC#N)c(C#N)c(-c3cccs3)c2C1 ZINC000019889406 212079345 /nfs/dbraw/zinc/07/93/45/212079345.db2.gz IWAXEOWTGUUAQT-UHFFFAOYSA-N 1 1 326.450 3.285 50 30 EGEAMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000006556186 452954230 /nfs/dbraw/zinc/95/42/30/452954230.db2.gz BUXZZUGYOMPIKM-SOLBZPMBSA-N 1 1 333.472 3.426 50 30 EGEAMO N#Cc1cccnc1NC[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000065478021 454574228 /nfs/dbraw/zinc/57/42/28/454574228.db2.gz BIXYXAPDINHAEW-AWEZNQCLSA-N 1 1 349.463 3.497 50 30 EGEAMO C=CCn1cc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)c(C)n1 ZINC000055404227 519277331 /nfs/dbraw/zinc/27/73/31/519277331.db2.gz YHACWPIZYIEDRK-OAHLLOKOSA-N 1 1 329.448 3.264 50 30 EGEAMO Cc1c(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000005073182 525667023 /nfs/dbraw/zinc/66/70/23/525667023.db2.gz WCORIIXIQWZVDI-UHFFFAOYSA-N 1 1 333.731 3.034 50 30 EGEAMO C[N@H+]1CCC[C@H](CCC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000095359433 218293047 /nfs/dbraw/zinc/29/30/47/218293047.db2.gz HDNQSNLVSRNEEY-GOSISDBHSA-N 1 1 339.483 3.192 50 30 EGEAMO Cc1ccccc1C(=O)NCC1=CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000065371849 454554752 /nfs/dbraw/zinc/55/47/52/454554752.db2.gz CBHBQGWEZXKHJZ-UHFFFAOYSA-N 1 1 345.446 3.429 50 30 EGEAMO CC[C@@H](Oc1ccccc1)C(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000004986155 523057655 /nfs/dbraw/zinc/05/76/55/523057655.db2.gz DXPGXQMYLVFOBN-OAHLLOKOSA-N 1 1 332.787 3.361 50 30 EGEAMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)C2CCCCC2)C1 ZINC000067880293 215239264 /nfs/dbraw/zinc/23/92/64/215239264.db2.gz QZZKLCIFIGENMP-QGZVFWFLSA-N 1 1 339.483 3.467 50 30 EGEAMO C=CCOc1ccccc1CN1CC[N@H+](CCC(C)C)[C@H](CCO)C1 ZINC000104554022 219394957 /nfs/dbraw/zinc/39/49/57/219394957.db2.gz PFWNJULCQSMFFU-HXUWFJFHSA-N 1 1 346.515 3.166 50 30 EGEAMO N#Cc1ccccc1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000072418619 216206427 /nfs/dbraw/zinc/20/64/27/216206427.db2.gz CIDCBYFHJYPMHE-UHFFFAOYSA-N 1 1 345.446 3.221 50 30 EGEAMO C=CCOc1ccccc1NC(=O)N(C)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000097492523 219029756 /nfs/dbraw/zinc/02/97/56/219029756.db2.gz AGIOZVXSBIAGPY-HNNXBMFYSA-N 1 1 331.460 3.445 50 30 EGEAMO COc1ccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C)cc1F ZINC000067818849 453969197 /nfs/dbraw/zinc/96/91/97/453969197.db2.gz DPUGHZQQFUAPMU-XHDPSFHLSA-N 1 1 338.386 3.042 50 30 EGEAMO N#Cc1ccc(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)c2ccccc12 ZINC000096136539 454291028 /nfs/dbraw/zinc/29/10/28/454291028.db2.gz CEWTXTDGKUEOLR-INIZCTEOSA-N 1 1 334.423 3.413 50 30 EGEAMO COc1cccc(C[N@H+]2C[C@@H]3CN(Cc4ccccc4C#N)CC[C@@H]32)c1 ZINC001772805165 1441417343 /nfs/dbraw/zinc/41/73/43/1441417343.db2.gz IXEKJQAJCLWEBF-UNMCSNQZSA-N 1 1 347.462 3.273 50 30 EGEAMO CCn1cc(C[N@@H+]2CCN(c3ccccc3OC)C[C@@H]2C)cc1C#N ZINC000072128943 216018649 /nfs/dbraw/zinc/01/86/49/216018649.db2.gz VTJQDNQJAXTJON-INIZCTEOSA-N 1 1 338.455 3.099 50 30 EGEAMO CCn1cc(C[N@H+]2CCN(c3ccccc3OC)C[C@@H]2C)cc1C#N ZINC000072128943 216018653 /nfs/dbraw/zinc/01/86/53/216018653.db2.gz VTJQDNQJAXTJON-INIZCTEOSA-N 1 1 338.455 3.099 50 30 EGEAMO C=CCOc1ccccc1CN1CC[N@H+](CCC(C)C)[C@@H](CCO)C1 ZINC000023375330 212371711 /nfs/dbraw/zinc/37/17/11/212371711.db2.gz PFWNJULCQSMFFU-FQEVSTJZSA-N 1 1 346.515 3.166 50 30 EGEAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)Cn1cc(/C=N/O)c2ccccc21 ZINC000012080468 211287635 /nfs/dbraw/zinc/28/76/35/211287635.db2.gz SGYVGMPHVDOWDO-LQZVJTIQSA-N 1 1 329.444 3.073 50 30 EGEAMO C[C@@H]1CCCC[N@H+]1C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21 ZINC000229994349 296313245 /nfs/dbraw/zinc/31/32/45/296313245.db2.gz IHANHCGTYJEQAK-KJZYVHILSA-N 1 1 347.499 3.388 50 30 biogenic EGEAMO Nc1c(C=[NH+]Nc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O ZINC000004184477 452795462 /nfs/dbraw/zinc/79/54/62/452795462.db2.gz VKNSMHMXJVVXOI-FSJBWODESA-N 1 1 341.370 3.490 50 30 EGEAMO CC[C@@H](C(=O)NCC#CC[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000075165141 453868419 /nfs/dbraw/zinc/86/84/19/453868419.db2.gz LIHSLFSHRUUICJ-OAQYLSRUSA-N 1 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/nfs/dbraw/zinc/21/50/95/216215095.db2.gz AHPMLVHGRIWBEB-UHFFFAOYSA-N 1 1 328.485 3.149 50 30 EGEAMO Cc1cc([C@H]2CCC[N@H+]2CCCC(=O)Nc2ccc(C#N)cc2)on1 ZINC000244874843 243094654 /nfs/dbraw/zinc/09/46/54/243094654.db2.gz XIDPPGSROKMZAH-QGZVFWFLSA-N 1 1 338.411 3.411 50 30 EGEAMO C=CCn1c(SCCC)nc2sc3c(c2c1=O)CC[N@@H+](C)C3 ZINC000020813793 212173845 /nfs/dbraw/zinc/17/38/45/212173845.db2.gz WIONVPMPVVPQDT-UHFFFAOYSA-N 1 1 335.498 3.134 50 30 EGEAMO C=CCn1c(SCCC)nc2sc3c(c2c1=O)CC[N@H+](C)C3 ZINC000020813793 212173848 /nfs/dbraw/zinc/17/38/48/212173848.db2.gz WIONVPMPVVPQDT-UHFFFAOYSA-N 1 1 335.498 3.134 50 30 EGEAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)C#Cc2ccccc2)C1 ZINC000012431697 211378570 /nfs/dbraw/zinc/37/85/70/211378570.db2.gz NLIVDXPYBQRZTN-QFIPXVFZSA-N 1 1 346.474 3.204 50 30 EGEAMO N#Cc1cccnc1NC[C@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000065512074 454580553 /nfs/dbraw/zinc/58/05/53/454580553.db2.gz KKCMHPBTOCOHHC-CQSZACIVSA-N 1 1 333.395 3.028 50 30 EGEAMO C[C@@H]1CCC[N@@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)C1 ZINC000105366529 454637379 /nfs/dbraw/zinc/63/73/79/454637379.db2.gz CSUXALKSMYDBAB-GENUPLJUSA-N 1 1 347.499 3.244 50 30 biogenic EGEAMO CO[C@]12CC[N@@H+](Cc3ccc(C#N)cc3)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426612986 457861774 /nfs/dbraw/zinc/86/17/74/457861774.db2.gz UKYLTSJBLNLBSZ-PCCBWWKXSA-N 1 1 340.467 3.497 50 30 EGEAMO CC[N@H+]1CCC[C@@H](CN2CCc3[nH]nc(-c4cccc(C#N)c4)c3C2)C1 ZINC000019839002 1291193421 /nfs/dbraw/zinc/19/34/21/1291193421.db2.gz QPABRWDVBKXLHX-QGZVFWFLSA-N 1 1 349.482 3.038 50 30 EGEAMO CC[N@@H+]1CCC[C@@H](CN2CCc3n[nH]c(-c4cccc(C#N)c4)c3C2)C1 ZINC000019839002 1291193425 /nfs/dbraw/zinc/19/34/25/1291193425.db2.gz QPABRWDVBKXLHX-QGZVFWFLSA-N 1 1 349.482 3.038 50 30 EGEAMO CC[N@H+]1CCC[C@@H](CN2CCc3n[nH]c(-c4cccc(C#N)c4)c3C2)C1 ZINC000019839002 1291193426 /nfs/dbraw/zinc/19/34/26/1291193426.db2.gz QPABRWDVBKXLHX-QGZVFWFLSA-N 1 1 349.482 3.038 50 30 EGEAMO Cc1ncsc1CC[N@H+](C)Cc1ccc(C#CC(C)(C)O)s1 ZINC000952986802 1334631210 /nfs/dbraw/zinc/63/12/10/1334631210.db2.gz ILCLELHQWRAIMS-UHFFFAOYSA-N 1 1 334.510 3.310 50 30 EGEAMO Cn1cc(C[N@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)cc1C#N ZINC000072143035 216029393 /nfs/dbraw/zinc/02/93/93/216029393.db2.gz HDJGJBZNTJOAHQ-OAHLLOKOSA-N 1 1 327.403 3.327 50 30 EGEAMO CC(C)Nc1ncc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cn1 ZINC000215737670 241143175 /nfs/dbraw/zinc/14/31/75/241143175.db2.gz LEBJOXMMPHGTOZ-UHFFFAOYSA-N 1 1 335.455 3.354 50 30 EGEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000019773061 212064909 /nfs/dbraw/zinc/06/49/09/212064909.db2.gz LVTSHKAPFSMDRC-ZHZULCJRSA-N 1 1 338.411 3.055 50 30 EGEAMO N#Cc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccc1 ZINC000092028652 218106282 /nfs/dbraw/zinc/10/62/82/218106282.db2.gz KLTYZXZXUBVOJS-LEWJYISDSA-N 1 1 345.446 3.181 50 30 EGEAMO C=CCN(Cc1ccc(C)s1)C(=O)C[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000055042718 258014997 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CC(C)Oc1ccc(/C=N/CC[C@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004815140 519778231 /nfs/dbraw/zinc/77/82/31/519778231.db2.gz CLJGDQRPOPPOBX-KMRLEGMCSA-N 1 1 332.488 3.374 50 30 EGEAMO O=C(/C=C/N1CC[NH+](Cc2ccccc2)CC1)C(F)(F)C(F)(F)F ZINC000020405842 527596958 /nfs/dbraw/zinc/59/69/58/527596958.db2.gz DJIVMJNPYCLHPC-VOTSOKGWSA-N 1 1 348.315 3.085 50 30 EGEAMO COc1cccc([C@H]2CCC[N@H+]2Cc2cc(C#CCO)cs2)c1 ZINC000828644672 1292486995 /nfs/dbraw/zinc/48/69/95/1292486995.db2.gz WWSUBXMXBOMCEP-LJQANCHMSA-N 1 1 327.449 3.438 50 30 EGEAMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000095357861 218291377 /nfs/dbraw/zinc/29/13/77/218291377.db2.gz JUOYGULCILMIDZ-LJQANCHMSA-N 1 1 339.483 3.335 50 30 EGEAMO CC#CC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000012713869 519330111 /nfs/dbraw/zinc/33/01/11/519330111.db2.gz ZVEQFPKFVNDGHQ-QGZVFWFLSA-N 1 1 332.875 3.076 50 30 EGEAMO Cc1cccc(C(=[NH2+])NOC(=O)COc2ccc(C(C)C)cc2)c1 ZINC000006411961 524151151 /nfs/dbraw/zinc/15/11/51/524151151.db2.gz LZRAUWIBQBBWRD-UHFFFAOYSA-N 1 1 326.396 3.361 50 30 EGEAMO C[C@H](C(=O)ONC(=[NH2+])c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004985759 526187186 /nfs/dbraw/zinc/18/71/86/526187186.db2.gz CDXHIHQEZNUDKL-JTQLQIEISA-N 1 1 347.758 3.215 50 30 EGEAMO N#Cc1cc(NC[C@@H]2CCC[C@H]3CCCC[N@H+]32)c([N+](=O)[O-])cc1C#N ZINC000004628957 210235058 /nfs/dbraw/zinc/23/50/58/210235058.db2.gz TWZKYQDKKNQNIW-CVEARBPZSA-N 1 1 339.399 3.157 50 30 EGEAMO C=CCOc1ccccc1-c1c(C#N)c(N)nc2c1[C@H]1CC[C@@H](C2)[N@@H+]1C ZINC000067847353 215230076 /nfs/dbraw/zinc/23/00/76/215230076.db2.gz UTVDSOWGKURBKB-SUMWQHHRSA-N 1 1 346.434 3.459 50 30 EGEAMO C=CCc1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@@H+]2C)ccc1O ZINC000071748974 454213272 /nfs/dbraw/zinc/21/32/72/454213272.db2.gz HUECJBYHQFNQQP-WMLDXEAASA-N 1 1 346.434 3.328 50 30 EGEAMO Cc1ccccc1N1CC[N@@H+](Cc2ccc(C#CCO)s2)[C@@H](C)C1 ZINC000106244272 454687637 /nfs/dbraw/zinc/68/76/37/454687637.db2.gz KYNVWCLWWCWLKD-KRWDZBQOSA-N 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/nfs/dbraw/zinc/01/10/09/258011009.db2.gz ZSJUEXBUYITKIG-GOSISDBHSA-N 1 1 326.444 3.280 50 30 EGEAMO COc1cc2c(cc1OC)[C@H]1C/C(=N\O)[C@@H](CC(C)C)C[N@H+]1CC2 ZINC000013879153 286260854 /nfs/dbraw/zinc/26/08/54/286260854.db2.gz APWMOWABPJKXTE-RBGWEIGCSA-N 1 1 332.444 3.499 50 30 EGEAMO COc1ccc(C=NN2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1 ZINC000244724441 455275705 /nfs/dbraw/zinc/27/57/05/455275705.db2.gz MUGGWZWSKYDPAD-UHFFFAOYSA-N 1 1 337.467 3.464 50 30 EGEAMO Cc1cccc(C(=[NH2+])NOC(=O)COc2ccc3ccccc3c2)c1 ZINC000004590967 452809780 /nfs/dbraw/zinc/80/97/80/452809780.db2.gz DIKNATFSSPUFTR-UHFFFAOYSA-N 1 1 334.375 3.391 50 30 EGEAMO C[N@@H+](CC#CCNC(=O)NCCCc1ccccc1)Cc1ccccc1 ZINC000085470648 454029883 /nfs/dbraw/zinc/02/98/83/454029883.db2.gz MNJCJVPSYLRUQA-UHFFFAOYSA-N 1 1 349.478 3.054 50 30 EGEAMO Cc1ccccc1N1CC[N@@H+](Cc2cc(C#CCO)cs2)[C@H](C)C1 ZINC000065393659 454558985 /nfs/dbraw/zinc/55/89/85/454558985.db2.gz CAFPEFOKPLFBPS-QGZVFWFLSA-N 1 1 340.492 3.111 50 30 EGEAMO Cc1nc(C(C)C)cc(N2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000065451906 454569748 /nfs/dbraw/zinc/56/97/48/454569748.db2.gz NMDLLYKTLBMBLS-UHFFFAOYSA-N 1 1 335.455 3.102 50 30 EGEAMO CC(C)(C#N)CCS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000585136647 459828684 /nfs/dbraw/zinc/82/86/84/459828684.db2.gz OEHGLFVNWMAJNN-QGZVFWFLSA-N 1 1 334.485 3.006 50 30 EGEAMO CC(C)(C#N)CCS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000585136647 459828689 /nfs/dbraw/zinc/82/86/89/459828689.db2.gz OEHGLFVNWMAJNN-QGZVFWFLSA-N 1 1 334.485 3.006 50 30 EGEAMO C#CCN1CCC([NH2+]C[C@@H](c2ccccc2)N2CCCCCC2)CC1 ZINC000820365062 1319877584 /nfs/dbraw/zinc/87/75/84/1319877584.db2.gz HMQMRQKXCCFBTD-QFIPXVFZSA-N 1 1 339.527 3.291 50 30 EGEAMO CCOC(=O)[C@H](C#N)[C@]1(Cc2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000004696770 210250545 /nfs/dbraw/zinc/25/05/45/210250545.db2.gz ISTLFIQBNBWVQL-DUPRYPCISA-N 1 1 328.456 3.278 50 30 EGEAMO Cc1ccc(C#N)c(N2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)n1 ZINC000072137076 216024837 /nfs/dbraw/zinc/02/48/37/216024837.db2.gz CIHSDSGMPSAVFY-HXUWFJFHSA-N 1 1 334.467 3.405 50 30 EGEAMO C=CCCC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095378790 218311623 /nfs/dbraw/zinc/31/16/23/218311623.db2.gz MLBQRWCNRGXRSI-CWFSZBLJSA-N 1 1 346.421 3.320 50 30 EGEAMO CCC[N@H+]1CCc2nc(N)c(C#N)c(-c3ccc(N(C)C)cc3)c2C1 ZINC000071754530 454213936 /nfs/dbraw/zinc/21/39/36/454213936.db2.gz HJAHSMYCTSPPPH-UHFFFAOYSA-N 1 1 335.455 3.037 50 30 EGEAMO COCC[N@@H+](Cc1cc(C#CCO)cs1)Cc1ccc(C)cc1 ZINC000055414884 523740059 /nfs/dbraw/zinc/74/00/59/523740059.db2.gz OEYZERMPFNNBGB-UHFFFAOYSA-N 1 1 329.465 3.049 50 30 EGEAMO CC1(C)C[C@@](CCC#N)(C2N3CC4(C)C[NH+]2CC(C)(C3)C4)CCO1 ZINC000019331582 212017168 /nfs/dbraw/zinc/01/71/68/212017168.db2.gz HQKNMQSCTTUDNB-GXVYMARFSA-N 1 1 331.504 3.239 50 30 biogenic EGEAMO COc1cc2c(cc1OC)[C@H]1C/C(=N\O)[C@H](CC(C)C)C[N@H+]1CC2 ZINC000169306169 454930374 /nfs/dbraw/zinc/93/03/74/454930374.db2.gz APWMOWABPJKXTE-LOYNYXHRSA-N 1 1 332.444 3.499 50 30 EGEAMO C[N@H+](Cc1ccc(C#CC(C)(C)O)s1)C[C@H]1Cc2ccccc2O1 ZINC000670445999 548217448 /nfs/dbraw/zinc/21/74/48/548217448.db2.gz NZJUMFUOZXKVND-MRXNPFEDSA-N 1 1 341.476 3.306 50 30 EGEAMO OCC#Cc1csc(C[N@H+]2CCCC[C@H]2CCc2ccccn2)c1 ZINC000828644603 1292487032 /nfs/dbraw/zinc/48/70/32/1292487032.db2.gz KKLIGUXWBILDIJ-IBGZPJMESA-N 1 1 340.492 3.474 50 30 EGEAMO Cc1ccn2cc(C[NH2+]Cc3ccc(C#CC(C)(C)O)s3)nc2c1 ZINC000952869773 1334583510 /nfs/dbraw/zinc/58/35/10/1334583510.db2.gz OCHKQCXXDANJJL-UHFFFAOYSA-N 1 1 339.464 3.116 50 30 EGEAMO C=CC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)CCC)c(OC)c1 ZINC000055282648 214301233 /nfs/dbraw/zinc/30/12/33/214301233.db2.gz SSLODGIAIZVKIS-MRXNPFEDSA-N 1 1 345.443 3.023 50 30 EGEAMO C=CC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)CCC)c(OC)c1 ZINC000055282648 214301237 /nfs/dbraw/zinc/30/12/37/214301237.db2.gz SSLODGIAIZVKIS-MRXNPFEDSA-N 1 1 345.443 3.023 50 30 EGEAMO C=CCc1cc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)ccc1O ZINC000067515325 215157069 /nfs/dbraw/zinc/15/70/69/215157069.db2.gz NNAFVCSODKJBEB-UHFFFAOYSA-N 1 1 340.423 3.062 50 30 EGEAMO C=CCc1cc(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)ccc1O ZINC000067515325 215157072 /nfs/dbraw/zinc/15/70/72/215157072.db2.gz NNAFVCSODKJBEB-UHFFFAOYSA-N 1 1 340.423 3.062 50 30 EGEAMO COc1ccc(/C=C2\Oc3c(cc(C[NH+](C)C)c(O)c3C)C2=O)cc1 ZINC000020759720 212170141 /nfs/dbraw/zinc/17/01/41/212170141.db2.gz CTPNAINTXXXPGL-MFOYZWKCSA-N 1 1 339.391 3.387 50 30 biogenic EGEAMO C=CCNC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccccc2C)C1 ZINC000012298433 258017108 /nfs/dbraw/zinc/01/71/08/258017108.db2.gz SOVPDZPBBRWHIP-SFHVURJKSA-N 1 1 329.488 3.077 50 30 EGEAMO Cc1cc(C(=O)ONC(=[NH2+])c2ccccc2)nn1Cc1ccc(C)cc1 ZINC000008536252 262520387 /nfs/dbraw/zinc/52/03/87/262520387.db2.gz DXVPOLSKDVTFHZ-UHFFFAOYSA-N 1 1 348.406 3.026 50 30 EGEAMO CC[C@@H](C(=O)NCC#CC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000075165012 453868125 /nfs/dbraw/zinc/86/81/25/453868125.db2.gz XUDQWKXUYXOFSD-JOCHJYFZSA-N 1 1 346.474 3.358 50 30 EGEAMO CC[C@@H](C(=O)NCC#CC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000075165012 453868126 /nfs/dbraw/zinc/86/81/26/453868126.db2.gz XUDQWKXUYXOFSD-JOCHJYFZSA-N 1 1 346.474 3.358 50 30 EGEAMO C=CCn1cc(C[N@@H+](CC)CCc2nc3cc(F)ccc3[nH]2)c(C)n1 ZINC000055359370 519277461 /nfs/dbraw/zinc/27/74/61/519277461.db2.gz HSUCACXHGUJKAF-UHFFFAOYSA-N 1 1 341.434 3.458 50 30 EGEAMO C=CCn1cc(C[N@H+](CC)CCc2nc3ccc(F)cc3[nH]2)c(C)n1 ZINC000055359370 519277469 /nfs/dbraw/zinc/27/74/69/519277469.db2.gz HSUCACXHGUJKAF-UHFFFAOYSA-N 1 1 341.434 3.458 50 30 EGEAMO C=CCn1cc(C[N@@H+](CC)CCc2nc3ccc(F)cc3[nH]2)c(C)n1 ZINC000055359370 519277480 /nfs/dbraw/zinc/27/74/80/519277480.db2.gz HSUCACXHGUJKAF-UHFFFAOYSA-N 1 1 341.434 3.458 50 30 EGEAMO OCC#Cc1csc(C[N@H+]2CCCC[C@@H]2CCc2ccccn2)c1 ZINC000828644604 1292487328 /nfs/dbraw/zinc/48/73/28/1292487328.db2.gz KKLIGUXWBILDIJ-LJQANCHMSA-N 1 1 340.492 3.474 50 30 EGEAMO C=CC[N@H+](Cc1ccc(OC)c(CO)c1)Cc1ccccc1OC ZINC000055243517 214293824 /nfs/dbraw/zinc/29/38/24/214293824.db2.gz BZVSOKIMGKFYBK-UHFFFAOYSA-N 1 1 327.424 3.384 50 30 EGEAMO C=CC[N@@H+](Cc1ccc(OC)c(CO)c1)Cc1ccccc1OC ZINC000055243517 214293828 /nfs/dbraw/zinc/29/38/28/214293828.db2.gz BZVSOKIMGKFYBK-UHFFFAOYSA-N 1 1 327.424 3.384 50 30 EGEAMO COc1ccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1 ZINC000019791165 212067430 /nfs/dbraw/zinc/06/74/30/212067430.db2.gz MUGGWZWSKYDPAD-PXLXIMEGSA-N 1 1 337.467 3.464 50 30 EGEAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)C#Cc2ccccc2)C1 ZINC000012431696 211377969 /nfs/dbraw/zinc/37/79/69/211377969.db2.gz NLIVDXPYBQRZTN-JOCHJYFZSA-N 1 1 346.474 3.204 50 30 EGEAMO C[N@H+]1CCC[C@@H](CCC(=O)N2CCC(c3cccc(C#N)c3)CC2)C1 ZINC000092077441 218116258 /nfs/dbraw/zinc/11/62/58/218116258.db2.gz AYOWSRJODHUCDN-KRWDZBQOSA-N 1 1 339.483 3.386 50 30 EGEAMO C[C@@H]1CCCC[N@H+]1C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 ZINC000252694290 296312492 /nfs/dbraw/zinc/31/24/92/296312492.db2.gz IHANHCGTYJEQAK-BPOVIGQYSA-N 1 1 347.499 3.388 50 30 biogenic EGEAMO C[C@@H]1SCc2c1nc(N)c(C#N)c2-c1ccc(O)c(C[NH+](C)C)c1 ZINC000071404228 279072996 /nfs/dbraw/zinc/07/29/96/279072996.db2.gz UCGHDLFAUDCSJC-JTQLQIEISA-N 1 1 340.452 3.277 50 30 EGEAMO CCOC(=O)[C@H](C#N)[C@]1(Cc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000001201076 452646478 /nfs/dbraw/zinc/64/64/78/452646478.db2.gz ISTLFIQBNBWVQL-HBXLWWENSA-N 1 1 328.456 3.278 50 30 EGEAMO C[N@@H+](CC#CCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000075165121 453868163 /nfs/dbraw/zinc/86/81/63/453868163.db2.gz DPWWWRGWNDDEGS-UHFFFAOYSA-N 1 1 326.827 3.205 50 30 EGEAMO CCn1cc(C[N@H+]2CC[C@H](c3cc(OC)ccc3OC)C2)cc1C#N ZINC000077341258 454094005 /nfs/dbraw/zinc/09/40/05/454094005.db2.gz AVKIXHKJZSRJJZ-INIZCTEOSA-N 1 1 339.439 3.386 50 30 EGEAMO COc1ccc(F)cc1C[N@H+]1CC[C@H](CNc2ncccc2C#N)C1 ZINC000065478009 454573735 /nfs/dbraw/zinc/57/37/35/454573735.db2.gz UIDXCAZPNZSWLX-CQSZACIVSA-N 1 1 340.402 3.035 50 30 EGEAMO C=CCc1cc(C[N@H+]2CCC[C@H]2C2(O)CC2)cc(OCC)c1OC ZINC001772813846 1441417543 /nfs/dbraw/zinc/41/75/43/1441417543.db2.gz WMTMKKYUWJUNJA-SFHVURJKSA-N 1 1 331.456 3.312 50 30 EGEAMO Cc1cccc(C(=O)ONC(=[NH2+])c2ccc(Br)cc2)c1 ZINC000004682062 210245931 /nfs/dbraw/zinc/24/59/31/210245931.db2.gz HPZKKTINIGQDIZ-UHFFFAOYSA-N 1 1 333.185 3.235 50 30 EGEAMO C=CCc1cc(OC)ccc1OC[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004263710 210155611 /nfs/dbraw/zinc/15/56/11/210155611.db2.gz UQCLISNAFXATMP-JZXOWHBKSA-N 1 1 333.472 3.141 50 30 EGEAMO Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3ccc(C#CC(C)(C)O)s3)C2)n1 ZINC000065380398 214881953 /nfs/dbraw/zinc/88/19/53/214881953.db2.gz RXDIQAMQPVKWRK-MRXNPFEDSA-N 1 1 343.496 3.131 50 30 EGEAMO CN(CC1=CCC[N@@H+](Cc2cccc(C#N)c2)C1)C(=O)c1ccco1 ZINC000067473047 215150565 /nfs/dbraw/zinc/15/05/65/215150565.db2.gz ZVUXRUCHRWXUFR-UHFFFAOYSA-N 1 1 335.407 3.056 50 30 EGEAMO C=CC[C@]1(CO)CCC[N@H+](Cc2cc3c(cc2OC)OCCCO3)C1 ZINC000092066862 218114006 /nfs/dbraw/zinc/11/40/06/218114006.db2.gz RIMNCSULMOAVKZ-FQEVSTJZSA-N 1 1 347.455 3.007 50 30 EGEAMO CC(C)[N@H+](CC#CCC(O)(c1ccccc1)c1ccccc1)CCO ZINC000002279956 258017012 /nfs/dbraw/zinc/01/70/12/258017012.db2.gz ZQRCXNHLRBVBKW-UHFFFAOYSA-N 1 1 337.463 3.019 50 30 EGEAMO C[N@@H+](CC#CCNC(=O)c1nc2ccccc2s1)Cc1ccccc1 ZINC000075165144 453868426 /nfs/dbraw/zinc/86/84/26/453868426.db2.gz OOTTUULXEBOIFY-UHFFFAOYSA-N 1 1 349.459 3.162 50 30 EGEAMO C=CCC[C@@H](C[N@@H+](C)Cc1ccoc1)Oc1ccnc(OC)c1C#N ZINC000072434651 454296037 /nfs/dbraw/zinc/29/60/37/454296037.db2.gz QGESXQCHQYIYBU-INIZCTEOSA-N 1 1 341.411 3.400 50 30 EGEAMO N#Cc1cccnc1NC[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000065512538 454580187 /nfs/dbraw/zinc/58/01/87/454580187.db2.gz WAGVJWCEWVYPJE-INIZCTEOSA-N 1 1 343.434 3.435 50 30 EGEAMO CCCCCCCc1c(O)nc(SCC[NH+](CC)CC)[nH]c1=O ZINC000029747413 520070575 /nfs/dbraw/zinc/07/05/75/520070575.db2.gz LXXBYKVHXTWHGY-UHFFFAOYSA-N 1 1 341.521 3.422 50 30 EGEAMO CC(C)CN/C(=[NH+]\c1ccc([N+](=O)[O-])cc1)n1nnc2ccccc21 ZINC000006364233 1291044030 /nfs/dbraw/zinc/04/40/30/1291044030.db2.gz WEHUETAMWOXKMV-UHFFFAOYSA-N 1 1 338.371 3.121 50 30 EGEAMO N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)C3CCCCC3)C2)c1 ZINC000067787253 215212687 /nfs/dbraw/zinc/21/26/87/215212687.db2.gz QUWDBHLAGIJMTP-SFHVURJKSA-N 1 1 325.456 3.077 50 30 EGEAMO C=CCNC(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000011996820 211277381 /nfs/dbraw/zinc/27/73/81/211277381.db2.gz MSLPLGOMFJQOMY-UHFFFAOYSA-N 1 1 339.439 3.045 50 30 EGEAMO N#Cc1ccc(NC[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)nc1 ZINC000065478000 454574040 /nfs/dbraw/zinc/57/40/40/454574040.db2.gz STQVUKFXGMWXLK-OAHLLOKOSA-N 1 1 333.395 3.028 50 30 EGEAMO COc1ccc(C[N@H+]2CC[C@H](CNc3ccc(C#N)cn3)C2)cc1F ZINC000065498637 454578239 /nfs/dbraw/zinc/57/82/39/454578239.db2.gz XYPMWPGKVCQBCI-MRXNPFEDSA-N 1 1 340.402 3.035 50 30 EGEAMO C=CCn1cc(C[NH2+]Cc2cc(-c3ccccc3OC)no2)c(C)n1 ZINC000055200143 214288013 /nfs/dbraw/zinc/28/80/13/214288013.db2.gz IVYRRXKHJCNCHN-UHFFFAOYSA-N 1 1 338.411 3.331 50 30 EGEAMO C=CC[C@@]1(CO)CCC[N@H+](Cc2ccc(OC(C)C)c(CO)c2)C1 ZINC000091651138 218039613 /nfs/dbraw/zinc/03/96/13/218039613.db2.gz CCINYGOAIZRAGD-HXUWFJFHSA-N 1 1 333.472 3.117 50 30 EGEAMO C=CC[N@@H+](Cc1ccc(-n2cncn2)cc1)Cc1cccc(OC)c1 ZINC000055568753 518776707 /nfs/dbraw/zinc/77/67/07/518776707.db2.gz GCPGYKKNICOVEQ-UHFFFAOYSA-N 1 1 334.423 3.464 50 30 EGEAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(C#CCO)cs2)c1 ZINC000828644671 1292486764 /nfs/dbraw/zinc/48/67/64/1292486764.db2.gz WWSUBXMXBOMCEP-IBGZPJMESA-N 1 1 327.449 3.438 50 30 EGEAMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)cc1CC=C ZINC000820505665 1319900125 /nfs/dbraw/zinc/90/01/25/1319900125.db2.gz QFLRUWQKIIZXGF-LJQANCHMSA-N 1 1 328.456 3.080 50 30 EGEAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)Cc3ccccc3)C2)cc1C#N ZINC000072424568 216215044 /nfs/dbraw/zinc/21/50/44/216215044.db2.gz MGGVARJQTPZNEN-IBGZPJMESA-N 1 1 335.451 3.403 50 30 EGEAMO Cc1c(/[NH+]=C/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000061141 209394566 /nfs/dbraw/zinc/39/45/66/209394566.db2.gz MIOPZSFSXPQPAW-KGENOOAVSA-N 1 1 334.423 3.301 50 30 EGEAMO C[N@@H+](CCCC(=O)Nc1ccc(C#N)cc1)Cc1cc(C2CC2)n[nH]1 ZINC000244691672 243057187 /nfs/dbraw/zinc/05/71/87/243057187.db2.gz JHABENKZADUBLI-UHFFFAOYSA-N 1 1 337.427 3.009 50 30 EGEAMO CC(C)c1nc(NCCC[NH+]2CCOCC2)c(C#N)c2c1CCCC2 ZINC000020573618 212149308 /nfs/dbraw/zinc/14/93/08/212149308.db2.gz OIWGLLWMVOZPLJ-UHFFFAOYSA-N 1 1 342.487 3.090 50 30 EGEAMO C[N@H+]1CCC[C@@H](CCC(=O)N2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000095359434 218292668 /nfs/dbraw/zinc/29/26/68/218292668.db2.gz HDNQSNLVSRNEEY-SFHVURJKSA-N 1 1 339.483 3.192 50 30 EGEAMO CCn1cc(CN2CCC[N@H+](C3Cc4ccccc4C3)CC2)cc1C#N ZINC000077454037 454107662 /nfs/dbraw/zinc/10/76/62/454107662.db2.gz ZJCULOWZBNNSOU-UHFFFAOYSA-N 1 1 348.494 3.055 50 30 EGEAMO C[C@H]1SCc2c1nc(N)c(C#N)c2-c1ccc(O)c(C[NH+](C)C)c1 ZINC000071404227 454206761 /nfs/dbraw/zinc/20/67/61/454206761.db2.gz UCGHDLFAUDCSJC-SNVBAGLBSA-N 1 1 340.452 3.277 50 30 EGEAMO COc1ccc(Cl)cc1C(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000004685126 524200037 /nfs/dbraw/zinc/20/00/37/524200037.db2.gz YITGQBUARUGEIR-UHFFFAOYSA-N 1 1 339.178 3.479 50 30 EGEAMO [NH2+]=C(NOC(=O)CCc1ccccc1)c1ccc(Br)cc1 ZINC000004191746 526808583 /nfs/dbraw/zinc/80/85/83/526808583.db2.gz BBFVYKWNWPKUCJ-UHFFFAOYSA-N 1 1 347.212 3.245 50 30 EGEAMO C=CC[C@@]1(CO)CCC[N@H+](Cc2cc3c(cc2OC)OCCCO3)C1 ZINC000092066860 218114452 /nfs/dbraw/zinc/11/44/52/218114452.db2.gz RIMNCSULMOAVKZ-HXUWFJFHSA-N 1 1 347.455 3.007 50 30 EGEAMO [NH2+]=C(NOC(=O)c1ccccc1F)c1ccc(Br)cc1 ZINC000004170049 210138598 /nfs/dbraw/zinc/13/85/98/210138598.db2.gz QQIADKSSCPUIMA-UHFFFAOYSA-N 1 1 337.148 3.066 50 30 EGEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000033314795 453913772 /nfs/dbraw/zinc/91/37/72/453913772.db2.gz LVTSHKAPFSMDRC-XSFVSMFZSA-N 1 1 338.411 3.055 50 30 EGEAMO C/C(=N\N1CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000033314140 453914224 /nfs/dbraw/zinc/91/42/24/453914224.db2.gz XFNIWBVNLOBNQR-CAPFRKAQSA-N 1 1 338.411 3.137 50 30 EGEAMO COc1ccc(C[N@H+]2CC[C@@H](CNc3ncccc3C#N)C2)cc1F ZINC000065498655 454578379 /nfs/dbraw/zinc/57/83/79/454578379.db2.gz QXKUAOHZLFNTCD-HNNXBMFYSA-N 1 1 340.402 3.035 50 30 EGEAMO COc1ccc(F)cc1C[N@H+]1CC[C@@H](CNc2ccc(C#N)cn2)C1 ZINC000065531026 454584991 /nfs/dbraw/zinc/58/49/91/454584991.db2.gz HTKHKQHLJOFKSV-HNNXBMFYSA-N 1 1 340.402 3.035 50 30 EGEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCC[C@H]4COC)[C@H]3C[C@@H]12 ZINC000252694547 455828560 /nfs/dbraw/zinc/82/85/60/455828560.db2.gz LYZJRMREVMQKQK-WKOMVXTHSA-N 1 1 347.499 3.411 50 30 biogenic EGEAMO Cc1ccccc1C(=[NH2+])NOC(=O)COc1cccc2ccccc21 ZINC000004685148 525036725 /nfs/dbraw/zinc/03/67/25/525036725.db2.gz FQWBGPOYEIQXMT-UHFFFAOYSA-N 1 1 334.375 3.391 50 30 EGEAMO C=CCOc1ccccc1C[N@H+]1C[C@@H](Cc2cc(C)no2)[C@@H](OC)C1 ZINC001704356982 1416454718 /nfs/dbraw/zinc/45/47/18/1416454718.db2.gz NDVCBXMNHXMEQY-XLIONFOSSA-N 1 1 342.439 3.237 50 30 EGEAMO C=CCn1cc(C[N@@H+](CCO)Cc2ccc(SC)cc2)c(C)n1 ZINC000055575430 214330420 /nfs/dbraw/zinc/33/04/20/214330420.db2.gz VFNQZNJSLIYCIZ-UHFFFAOYSA-N 1 1 331.485 3.094 50 30 EGEAMO C=CCn1cc(C[N@H+](CCO)Cc2ccc(SC)cc2)c(C)n1 ZINC000055575430 214330421 /nfs/dbraw/zinc/33/04/21/214330421.db2.gz VFNQZNJSLIYCIZ-UHFFFAOYSA-N 1 1 331.485 3.094 50 30 EGEAMO Cn1cc(C[N@H+]2CCC[C@H](COc3ccc(F)cc3)C2)cc1C#N ZINC000072143034 216028354 /nfs/dbraw/zinc/02/83/54/216028354.db2.gz HDJGJBZNTJOAHQ-HNNXBMFYSA-N 1 1 327.403 3.327 50 30 EGEAMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC(=O)N(Cc3cccnc3)CC2)CC1 ZINC000299755323 258010286 /nfs/dbraw/zinc/01/02/86/258010286.db2.gz AAVHORYFHZUIGY-HXUWFJFHSA-N 1 1 339.483 3.419 50 30 EGEAMO CCOC(=O)[C@H](C#N)[C@]1(Cc2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000013509774 453467618 /nfs/dbraw/zinc/46/76/18/453467618.db2.gz ISTLFIQBNBWVQL-WQDJSCAQSA-N 1 1 328.456 3.278 50 30 EGEAMO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3ccc(C#CC(C)(C)O)s3)C2)n1 ZINC000065380400 454556235 /nfs/dbraw/zinc/55/62/35/454556235.db2.gz RXDIQAMQPVKWRK-INIZCTEOSA-N 1 1 343.496 3.131 50 30 EGEAMO C=CC[C@@H]1CC=C[C@@H](C)[N@@H+]1CC(=O)Nc1ccc(N(C)C(C)=O)cc1 ZINC000065385459 454557274 /nfs/dbraw/zinc/55/72/74/454557274.db2.gz JVRFWCDIQVESFL-DNVCBOLYSA-N 1 1 341.455 3.203 50 30 EGEAMO CC(C)(C#N)CCS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000585136646 459828552 /nfs/dbraw/zinc/82/85/52/459828552.db2.gz OEHGLFVNWMAJNN-KRWDZBQOSA-N 1 1 334.485 3.006 50 30 EGEAMO CC(C)(C#N)CCS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000585136646 459828556 /nfs/dbraw/zinc/82/85/56/459828556.db2.gz OEHGLFVNWMAJNN-KRWDZBQOSA-N 1 1 334.485 3.006 50 30 EGEAMO Cc1cccc(C(=[NH2+])NOC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 ZINC000004723527 524151311 /nfs/dbraw/zinc/15/13/11/524151311.db2.gz XMMGIRDREZNWKL-LBPRGKRZSA-N 1 1 332.787 3.279 50 30 EGEAMO COc1ccccc1/C=N/N1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC000019799329 212070304 /nfs/dbraw/zinc/07/03/04/212070304.db2.gz MSSJYHQUIGCUPW-PXLXIMEGSA-N 1 1 337.467 3.464 50 30 EGEAMO C=CCCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2OC)C1 ZINC000012373699 258017252 /nfs/dbraw/zinc/01/72/52/258017252.db2.gz VJXCROOMBCHNER-SFHVURJKSA-N 1 1 344.499 3.374 50 30 EGEAMO CC(C)[C@@H]1CN(C(=O)C2(C#N)CC2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071747065 454211873 /nfs/dbraw/zinc/21/18/73/454211873.db2.gz IAQRUEMHVVXTOG-SFHVURJKSA-N 1 1 343.446 3.188 50 30 EGEAMO CN1c2ccccc2[C@@]2(CCC[N@@H+](Cc3ccccc3C#N)C2)C1=O ZINC000072133164 454272104 /nfs/dbraw/zinc/27/21/04/454272104.db2.gz MOWMCFZHWOOTAK-NRFANRHFSA-N 1 1 331.419 3.068 50 30 EGEAMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(C#N)c4ccccc34)C2)C1 ZINC000096130867 454289836 /nfs/dbraw/zinc/28/98/36/454289836.db2.gz QVQUZYFSNTZKHY-FQEVSTJZSA-N 1 1 334.423 3.271 50 30 EGEAMO C=C(C)COc1cccc(C(=O)NCCCn2cc[nH+]c2CC)c1 ZINC000055119683 518619886 /nfs/dbraw/zinc/61/98/86/518619886.db2.gz SABXZPMPDHZRSQ-UHFFFAOYSA-N 1 1 327.428 3.221 50 30 EGEAMO [NH2+]=C(NOC(=O)CCc1ccccc1)c1cccc(Br)c1 ZINC000004832130 526808727 /nfs/dbraw/zinc/80/87/27/526808727.db2.gz BGAMIZAUMRPBLP-UHFFFAOYSA-N 1 1 347.212 3.245 50 30 EGEAMO C=CC[N@H+](Cc1ccc(C#CCO)s1)Cc1ccccc1OC ZINC000055283279 214301703 /nfs/dbraw/zinc/30/17/03/214301703.db2.gz BDJKNFHTRQSIFO-UHFFFAOYSA-N 1 1 327.449 3.289 50 30 EGEAMO C=CC[N@@H+](Cc1ccc(C#CCO)s1)Cc1ccccc1OC ZINC000055283279 214301705 /nfs/dbraw/zinc/30/17/05/214301705.db2.gz BDJKNFHTRQSIFO-UHFFFAOYSA-N 1 1 327.449 3.289 50 30 EGEAMO COc1cccc(OC[C@@H]2CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)c1 ZINC000072156625 216045951 /nfs/dbraw/zinc/04/59/51/216045951.db2.gz MEAONWURPHVNGP-MRXNPFEDSA-N 1 1 339.439 3.196 50 30 EGEAMO C=CCOc1ccccc1C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000022023282 212271718 /nfs/dbraw/zinc/27/17/18/212271718.db2.gz UTJGCAYNLNJEAD-AEFFLSMTSA-N 1 1 336.435 3.032 50 30 EGEAMO OCC#Cc1csc(C[N@H+](Cc2ccsc2)C[C@H]2CCCO2)c1 ZINC000055074673 258014926 /nfs/dbraw/zinc/01/49/26/258014926.db2.gz YKTVVEVZBWKZMU-QGZVFWFLSA-N 1 1 347.505 3.335 50 30 EGEAMO CCOc1ccc(NC(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)cc1C#N ZINC000299758544 258076215 /nfs/dbraw/zinc/07/62/15/258076215.db2.gz KBYUBIIZXJKFLZ-CQSZACIVSA-N 1 1 342.443 3.047 50 30 EGEAMO CC(C)[N@H+](CC#CC[C@](O)(c1ccccc1)C1CCCC1)CCO ZINC000001813256 452679741 /nfs/dbraw/zinc/67/97/41/452679741.db2.gz XUPWMFVPLKVQOJ-NRFANRHFSA-N 1 1 329.484 3.161 50 30 EGEAMO Cc1[nH+]ccn1C[C@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000077337921 454093552 /nfs/dbraw/zinc/09/35/52/454093552.db2.gz WFSWWUVKDPYAGA-MRXNPFEDSA-N 1 1 335.455 3.254 50 30 EGEAMO CCn1cc(C[N@H+]2CC[C@@H](c3cc(OC)ccc3OC)C2)cc1C#N ZINC000077341259 454094205 /nfs/dbraw/zinc/09/42/05/454094205.db2.gz AVKIXHKJZSRJJZ-MRXNPFEDSA-N 1 1 339.439 3.386 50 30 EGEAMO CCn1cc(C[N@H+]2CCCC[C@@H]2CCn2ccnc2C)cc1C#N ZINC000077436439 454105748 /nfs/dbraw/zinc/10/57/48/454105748.db2.gz FUCDKQAOZHFYLK-GOSISDBHSA-N 1 1 325.460 3.329 50 30 EGEAMO Cc1[nH]c(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)cc1C#N ZINC000584900205 459820946 /nfs/dbraw/zinc/82/09/46/459820946.db2.gz FBSAJJKABMSGOW-UHFFFAOYSA-N 1 1 329.831 3.332 50 30 EGEAMO [NH2+]=C(NOC(=O)COc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000005042365 526808752 /nfs/dbraw/zinc/80/87/52/526808752.db2.gz PKEHLSAURISJRP-UHFFFAOYSA-N 1 1 339.178 3.236 50 30 EGEAMO CCn1cc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1C#N ZINC000072158199 216048977 /nfs/dbraw/zinc/04/89/77/216048977.db2.gz AYBUZNVXRHDYKP-UHFFFAOYSA-N 1 1 340.446 3.227 50 30 EGEAMO CCn1cc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1C#N ZINC000072158199 216048979 /nfs/dbraw/zinc/04/89/79/216048979.db2.gz AYBUZNVXRHDYKP-UHFFFAOYSA-N 1 1 340.446 3.227 50 30 EGEAMO CCn1cc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1C#N ZINC000072158199 216048981 /nfs/dbraw/zinc/04/89/81/216048981.db2.gz AYBUZNVXRHDYKP-UHFFFAOYSA-N 1 1 340.446 3.227 50 30 EGEAMO [NH2+]=C(NOC(=O)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000004957583 210339517 /nfs/dbraw/zinc/33/95/17/210339517.db2.gz OVPYGWCZTZCEKD-UHFFFAOYSA-N 1 1 337.148 3.066 50 30 EGEAMO CC[N@H+](CC#C[C@@](O)(c1ccccc1)C1(CC)CCCC1)CCO ZINC000002286966 258017597 /nfs/dbraw/zinc/01/75/97/258017597.db2.gz OGQPMELVOBPBML-OAQYLSRUSA-N 1 1 329.484 3.162 50 30 EGEAMO C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cc2n(n1)CC[NH2+]C2 ZINC000065384424 276907634 /nfs/dbraw/zinc/90/76/34/276907634.db2.gz OCFOXIYCEGXQCH-XLIONFOSSA-N 1 1 348.450 3.074 50 30 EGEAMO C[N@H+]1CCc2nc(N)c(C#N)c(-c3ccc(Cl)c(Cl)c3)c2C1 ZINC000018222905 277188355 /nfs/dbraw/zinc/18/83/55/277188355.db2.gz MCFIXSQDXBEXOJ-UHFFFAOYSA-N 1 1 333.222 3.497 50 30 EGEAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC000012570987 453376004 /nfs/dbraw/zinc/37/60/04/453376004.db2.gz HHBHOBJTPGNADA-HSZRJFAPSA-N 1 1 349.474 3.364 50 30 EGEAMO C=C(C)COc1ccccc1C[NH2+]CCc1nnc(-c2cccnc2)[nH]1 ZINC000055134165 518621687 /nfs/dbraw/zinc/62/16/87/518621687.db2.gz YSVOZHIAVCWJTK-UHFFFAOYSA-N 1 1 349.438 3.154 50 30 EGEAMO COc1ccccc1N1CC[N@@H+](Cc2cc(C#N)n(C)c2)CC1(C)C ZINC000072146209 216032231 /nfs/dbraw/zinc/03/22/31/216032231.db2.gz RVIXQZPSPHMRLZ-UHFFFAOYSA-N 1 1 338.455 3.006 50 30 EGEAMO Cc1cc([C@@H]2CCC[N@H+]2CCCC(=O)Nc2ccc(C#N)cc2)on1 ZINC000244874842 243094415 /nfs/dbraw/zinc/09/44/15/243094415.db2.gz XIDPPGSROKMZAH-KRWDZBQOSA-N 1 1 338.411 3.411 50 30 EGEAMO CC[NH+]1CCN(c2oc(Cc3cccc4ccccc43)nc2C#N)CC1 ZINC000000533638 452616200 /nfs/dbraw/zinc/61/62/00/452616200.db2.gz DDVHZOOQYRQACF-UHFFFAOYSA-N 1 1 346.434 3.432 50 30 EGEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCC[C@H]4COC)[C@H]3C[C@H]12 ZINC000012886232 453419808 /nfs/dbraw/zinc/41/98/08/453419808.db2.gz LYZJRMREVMQKQK-YKFXCJJJSA-N 1 1 347.499 3.411 50 30 biogenic EGEAMO C#CC[N@H+](CCC(=O)OCC(Cl)(Cl)Cl)Cc1ccccc1 ZINC000025663438 453781790 /nfs/dbraw/zinc/78/17/90/453781790.db2.gz YGQZJWKINXGGBK-UHFFFAOYSA-N 1 1 348.657 3.425 50 30 EGEAMO CC[C@H](C(=O)NCC#CC[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000075165140 453868568 /nfs/dbraw/zinc/86/85/68/453868568.db2.gz LIHSLFSHRUUICJ-NRFANRHFSA-N 1 1 334.463 3.432 50 30 EGEAMO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000057334278 454120715 /nfs/dbraw/zinc/12/07/15/454120715.db2.gz HAMNLVCHMBVYCU-UHFFFAOYSA-N 1 1 334.379 3.128 50 30 EGEAMO Cc1ccccc1N1CC[N@@H+](Cc2ccc(C#CCO)s2)[C@H](C)C1 ZINC000065375171 454555970 /nfs/dbraw/zinc/55/59/70/454555970.db2.gz KYNVWCLWWCWLKD-QGZVFWFLSA-N 1 1 340.492 3.111 50 30 EGEAMO CC(C)(C)c1cnc(C[N@@H+]2CC[C@@H](CNc3ncccc3C#N)C2)o1 ZINC000065512148 454580667 /nfs/dbraw/zinc/58/06/67/454580667.db2.gz UVPXFJNSHWHBGC-AWEZNQCLSA-N 1 1 339.443 3.173 50 30 EGEAMO CC(C)(C)c1cnc(C[N@H+]2CC[C@@H](CNc3ncccc3C#N)C2)o1 ZINC000065512148 454580671 /nfs/dbraw/zinc/58/06/71/454580671.db2.gz UVPXFJNSHWHBGC-AWEZNQCLSA-N 1 1 339.443 3.173 50 30 EGEAMO