smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1CCc2nc(SCc3ccccc3)c(C#N)c(-c3cccs3)c2C1 ZINC000019889295 210305200 /nfs/dbraw/zinc/30/52/00/210305200.db2.gz UEAHVSLOPIQFHW-UHFFFAOYSA-N 1 1 377.538 4.962 50 30 GJEAMO C/C(=N\N1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000019833652 518459317 /nfs/dbraw/zinc/45/93/17/518459317.db2.gz LPYVKCHEUNMWHY-XQNSMLJCSA-N 1 1 376.331 4.844 50 30 GJEAMO C=CCSc1nnc([C@H]2CCC[N@H+](C/C(Cl)=C/c3ccccc3)C2)n1C ZINC000014956792 519090579 /nfs/dbraw/zinc/09/05/79/519090579.db2.gz GSWGMEPPSZMBEO-XIDKLXSXSA-N 1 1 388.968 4.553 50 30 GJEAMO C=CCSc1nnc([C@H]2CCC[N@@H+](C/C(Cl)=C/c3ccccc3)C2)n1C ZINC000014956792 519090588 /nfs/dbraw/zinc/09/05/88/519090588.db2.gz GSWGMEPPSZMBEO-XIDKLXSXSA-N 1 1 388.968 4.553 50 30 GJEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3cccc(OCc4ccccc4)c3)CC2)cc1 ZINC000032619374 524456125 /nfs/dbraw/zinc/45/61/25/524456125.db2.gz IVQGYFFKCHXWLE-DIBXZPPDSA-N 1 1 399.538 4.726 50 30 GJEAMO Cc1ccc(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@H](C)C3)C2=O)cc1Cl ZINC000013714746 525970859 /nfs/dbraw/zinc/97/08/59/525970859.db2.gz KGFMZLCDBSQSGV-QOHUBZANSA-N 1 1 381.907 4.805 50 30 GJEAMO Cc1ccc(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@H](C)C3)C2=O)cc1Cl ZINC000013714746 525970871 /nfs/dbraw/zinc/97/08/71/525970871.db2.gz KGFMZLCDBSQSGV-QOHUBZANSA-N 1 1 381.907 4.805 50 30 GJEAMO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@H](C)[C@@]1(O)C#Cc1ccccc1 ZINC000239309387 570429060 /nfs/dbraw/zinc/42/90/60/570429060.db2.gz HMVLFUWQWMPWKQ-WPMLWAHBSA-N 1 1 395.546 5.469 50 30 GJEAMO N#Cc1ccsc1NC(=O)CC[N@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000032739746 570785411 /nfs/dbraw/zinc/78/54/11/570785411.db2.gz PCXDUQOKPVVETB-UHFFFAOYSA-N 1 1 385.508 4.922 50 30 GJEAMO COc1ccc([C@@H]2CCCCC[N@@H+]2[C@H](C)C(=O)Nc2sccc2C#N)cc1 ZINC000104109104 570895135 /nfs/dbraw/zinc/89/51/35/570895135.db2.gz BEVUJTQTVZTCHY-BEFAXECRSA-N 1 1 383.517 4.573 50 30 GJEAMO COc1ccc([C@@H]2CCCCC[N@H+]2[C@H](C)C(=O)Nc2sccc2C#N)cc1 ZINC000104109104 570895140 /nfs/dbraw/zinc/89/51/40/570895140.db2.gz BEVUJTQTVZTCHY-BEFAXECRSA-N 1 1 383.517 4.573 50 30 GJEAMO Cc1ccc(/N=C2\c3ccccc3N(C[N@H+]3CCC[C@H](C)C3)C2=O)cc1Cl ZINC000004144910 570964278 /nfs/dbraw/zinc/96/42/78/570964278.db2.gz KGFMZLCDBSQSGV-NNLOLUDESA-N 1 1 381.907 4.805 50 30 GJEAMO Cc1ccc(/N=C2\c3ccccc3N(C[N@@H+]3CCC[C@H](C)C3)C2=O)cc1Cl ZINC000004144910 570964282 /nfs/dbraw/zinc/96/42/82/570964282.db2.gz KGFMZLCDBSQSGV-NNLOLUDESA-N 1 1 381.907 4.805 50 30 GJEAMO C=CC[NH+]1CCN(c2nc(C3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035892698 518868536 /nfs/dbraw/zinc/86/85/36/518868536.db2.gz BSVUOMXPNJGYBD-UHFFFAOYSA-N 1 1 396.604 4.926 50 30 GJEAMO COc1ccc(/C=N/CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000013510141 523436943 /nfs/dbraw/zinc/43/69/43/523436943.db2.gz CUJQKPIQOCCCCD-IWEUPMCNSA-N 1 1 394.559 4.811 50 30 GJEAMO Cc1cccc(C(=[NH2+])NOC(=O)c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000004845092 570411779 /nfs/dbraw/zinc/41/17/79/570411779.db2.gz KZFBAGCRYAFBQG-UHFFFAOYSA-N 1 1 381.435 4.688 50 30 GJEAMO CCCC[N@@H+](C)C[C@@H](O)Cn1cc(/C=C\C(=O)c2ccccc2)c2ccccc21 ZINC000169616038 570558865 /nfs/dbraw/zinc/55/88/65/570558865.db2.gz GWEHFYMAEAZCBW-KSAKKHMLSA-N 1 1 390.527 4.630 50 30 GJEAMO COc1ccc(N/C(=[NH+]\c2ccc(OC)cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005393889 570584373 /nfs/dbraw/zinc/58/43/73/570584373.db2.gz RUWUYFDJDMFVJP-UHFFFAOYSA-N 1 1 377.400 4.802 50 30 GJEAMO CCc1c(C)c(C#N)c2nc3ccccc3n2c1N[NH+]=Cc1ccc(N(C)C)cc1 ZINC000005455547 204133572 /nfs/dbraw/zinc/13/35/72/204133572.db2.gz LZHSQOPADKXNHJ-CVKSISIWSA-N 1 1 396.498 4.742 50 30 GJEAMO N#Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)Cc2cccc(F)c2)cc1 ZINC000040158294 210781377 /nfs/dbraw/zinc/78/13/77/210781377.db2.gz RZCNGYRTJVKRKC-UHFFFAOYSA-N 1 1 375.403 4.808 50 30 GJEAMO N#Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)Cc2cccc(F)c2)cc1 ZINC000040158294 210781381 /nfs/dbraw/zinc/78/13/81/210781381.db2.gz RZCNGYRTJVKRKC-UHFFFAOYSA-N 1 1 375.403 4.808 50 30 GJEAMO C#CC[C@H](NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)c1ccccc1 ZINC000095441693 518338795 /nfs/dbraw/zinc/33/87/95/518338795.db2.gz QJJMPEAPJQHGRG-QFIPXVFZSA-N 1 1 386.499 4.941 50 30 GJEAMO C=C(C)COc1ccc(C[NH2+]Cc2cn3c(C)c(C)sc3n2)cc1OCC ZINC000055226372 518613695 /nfs/dbraw/zinc/61/36/95/518613695.db2.gz MESFSIDUNKGFHN-UHFFFAOYSA-N 1 1 385.533 4.656 50 30 GJEAMO CC(C)c1ccc([C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2cccs2)cc1 ZINC000031069921 519840065 /nfs/dbraw/zinc/84/00/65/519840065.db2.gz ARJUJIIKWADRBS-QFIPXVFZSA-N 1 1 395.572 4.893 50 30 GJEAMO CCCC[N@@H+](C)C[C@H](O)Cn1cc(/C=C/C(=O)c2cccs2)c2ccccc21 ZINC000004116432 520418082 /nfs/dbraw/zinc/41/80/82/520418082.db2.gz SALBKFMJBBCCIC-CVTTXWKISA-N 1 1 396.556 4.692 50 30 GJEAMO OC(CC#CC[N@H+]1CC[C@H](c2ccccc2)C1)(c1ccccc1)c1ccccc1 ZINC000001809686 570252483 /nfs/dbraw/zinc/25/24/83/570252483.db2.gz WVMZKWJXFUPLNC-DEOSSOPVSA-N 1 1 381.519 4.806 50 30 GJEAMO C=CC[C@@H]1C=C(C)C[C@@H](CC=C)[N@@H+]1C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F ZINC000020569205 570268581 /nfs/dbraw/zinc/26/85/81/570268581.db2.gz HEGHOPOVQNLTNF-MGPQQGTHSA-N 1 1 389.355 4.722 50 30 GJEAMO CC(C)=NN1c2ccc(Cl)cc2N=C(N2CC[NH+](C)CC2)c2ccccc21 ZINC000022023396 570385330 /nfs/dbraw/zinc/38/53/30/570385330.db2.gz VFXSPGOHUMZNDD-UHFFFAOYSA-N 1 1 381.911 4.513 50 30 GJEAMO CCCN(CC)c1ccc(/C=[NH+]\NC(=S)Nc2ccccc2OCC)cc1 ZINC000033096955 570809686 /nfs/dbraw/zinc/80/96/86/570809686.db2.gz VSRQLQNVIAXJKP-JWGURIENSA-N 1 1 384.549 4.642 50 30 GJEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000012702784 519329302 /nfs/dbraw/zinc/32/93/02/519329302.db2.gz DHTZDSIUPBSWFU-NRFANRHFSA-N 1 1 395.930 4.557 50 30 GJEAMO CCCC[N@@H+](C)C[C@@H](O)Cn1cc(/C=C/C(=O)c2cccs2)c2ccccc21 ZINC000004116433 520412887 /nfs/dbraw/zinc/41/28/87/520412887.db2.gz SALBKFMJBBCCIC-TZZQJPOUSA-N 1 1 396.556 4.692 50 30 GJEAMO CCCC[N@@H+](C)C[C@H](O)Cn1cc(/C=C\C(=O)c2ccccc2)c2ccccc21 ZINC000096498582 520417252 /nfs/dbraw/zinc/41/72/52/520417252.db2.gz GWEHFYMAEAZCBW-MTVZPNFRSA-N 1 1 390.527 4.630 50 30 GJEAMO CCc1ccc([C@H]([NH2+]CC(=O)NC2(C#N)CCCCCC2)c2cccs2)cc1 ZINC000029939495 524051580 /nfs/dbraw/zinc/05/15/80/524051580.db2.gz SYCDPUPKKFIRMY-QFIPXVFZSA-N 1 1 395.572 4.722 50 30 GJEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019833232 524454486 /nfs/dbraw/zinc/45/44/86/524454486.db2.gz AHYOFZHKEZODST-LGUFXXKBSA-N 1 1 385.511 4.939 50 30 GJEAMO [NH2+]=C(NOC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 ZINC000004898110 570359193 /nfs/dbraw/zinc/35/91/93/570359193.db2.gz VSYJVUSQNQNVIX-UHFFFAOYSA-N 1 1 395.256 4.593 50 30 GJEAMO C=CCC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147175 570549621 /nfs/dbraw/zinc/54/96/21/570549621.db2.gz JIFSTXDQNPYMDJ-YADHBBJMSA-N 1 1 398.934 4.662 50 30 GJEAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000012760749 210002920 /nfs/dbraw/zinc/00/29/20/210002920.db2.gz GOTVTYMTPBKLCO-OAQYLSRUSA-N 1 1 397.906 4.776 50 30 GJEAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000012760749 210002922 /nfs/dbraw/zinc/00/29/22/210002922.db2.gz GOTVTYMTPBKLCO-OAQYLSRUSA-N 1 1 397.906 4.776 50 30 GJEAMO N#Cc1ccsc1NC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000067772860 211021245 /nfs/dbraw/zinc/02/12/45/211021245.db2.gz JXONCLJCOQXHGD-FQEVSTJZSA-N 1 1 388.496 4.604 50 30 GJEAMO CC(C)c1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000024837509 570310668 /nfs/dbraw/zinc/31/06/68/570310668.db2.gz FZLQYKKYEZEIPL-UHFFFAOYSA-N 1 1 381.545 4.692 50 30 GJEAMO C=CCC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146534 570549541 /nfs/dbraw/zinc/54/95/41/570549541.db2.gz WFXVISKGMXEVIE-VXKWHMMOSA-N 1 1 398.934 4.662 50 30 GJEAMO CC(C)/[NH+]=C(/c1cccs1)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000104136197 570895934 /nfs/dbraw/zinc/89/59/34/570895934.db2.gz JKJBCRSHBISCBJ-QOCHGBHMSA-N 1 1 379.932 4.513 50 30 GJEAMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)Cc1ccccc1N1CCOCC1 ZINC000014855869 210129839 /nfs/dbraw/zinc/12/98/39/210129839.db2.gz YSICHMPCZBYSCN-UHFFFAOYSA-N 1 1 397.522 4.694 50 30 GJEAMO C=CCC(O)(CC=C)c1ccc(C[N@H+](CCCOC)Cc2ccsc2)o1 ZINC000036202898 518687878 /nfs/dbraw/zinc/68/78/78/518687878.db2.gz JUNGFWNJVSVWTP-UHFFFAOYSA-N 1 1 375.534 4.720 50 30 GJEAMO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000012437615 570237557 /nfs/dbraw/zinc/23/75/57/570237557.db2.gz XNZBLSFJUPXOMK-XMMPIXPASA-N 1 1 397.518 4.669 50 30 GJEAMO OC(CC#CC[N@@H+]1CCCC[C@H]1c1cccnc1)(c1ccccc1)c1ccccc1 ZINC000061991228 570558669 /nfs/dbraw/zinc/55/86/69/570558669.db2.gz OMEHVOYIAJGHCF-SANMLTNESA-N 1 1 396.534 4.938 50 30 biogenic GJEAMO OC(CC#CC[N@H+]1CCCC[C@H]1c1cccnc1)(c1ccccc1)c1ccccc1 ZINC000061991228 570558671 /nfs/dbraw/zinc/55/86/71/570558671.db2.gz OMEHVOYIAJGHCF-SANMLTNESA-N 1 1 396.534 4.938 50 30 biogenic GJEAMO CC(C)c1ccc(OCC(=O)ONC(=[NH2+])Cc2ccc(Cl)cc2Cl)cc1 ZINC000004603912 519838111 /nfs/dbraw/zinc/83/81/11/519838111.db2.gz HZALWZUIEYXMGX-UHFFFAOYSA-N 1 1 395.286 4.554 50 30 GJEAMO CC(C)c1ccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2cccs2)cc1 ZINC000031069918 519839320 /nfs/dbraw/zinc/83/93/20/519839320.db2.gz ARJUJIIKWADRBS-JOCHJYFZSA-N 1 1 395.572 4.893 50 30 GJEAMO CCCCCCCCCCCC[NH2+]Cn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000008427098 520009375 /nfs/dbraw/zinc/00/93/75/520009375.db2.gz FGYOYZRFNLZXCN-UHFFFAOYSA-N 1 1 377.485 4.971 50 30 GJEAMO CCc1ccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCCCCC2)c2cccs2)cc1 ZINC000029939493 524032913 /nfs/dbraw/zinc/03/29/13/524032913.db2.gz SYCDPUPKKFIRMY-JOCHJYFZSA-N 1 1 395.572 4.722 50 30 GJEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3c(Cl)cccc3Cl)CC2)c(C)c1 ZINC000027527933 524453653 /nfs/dbraw/zinc/45/36/53/524453653.db2.gz NLOSVLISBXRNHP-YDZHTSKRSA-N 1 1 376.331 4.762 50 30 GJEAMO CCCC[N@@H+](C)C[C@H](O)Cn1cc(/C=C/C(=O)c2ccccc2)c2ccccc21 ZINC000004116444 520418614 /nfs/dbraw/zinc/41/86/14/520418614.db2.gz GWEHFYMAEAZCBW-FRFYRWIFSA-N 1 1 390.527 4.630 50 30 GJEAMO C[N@H+](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C1CCCCC1 ZINC000058120961 522532279 /nfs/dbraw/zinc/53/22/79/522532279.db2.gz VFUZMLKTQQNMFU-KRWDZBQOSA-N 1 1 387.936 4.904 50 30 GJEAMO C[N@@H+](CC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C1CCCCC1 ZINC000058120961 522532286 /nfs/dbraw/zinc/53/22/86/522532286.db2.gz VFUZMLKTQQNMFU-KRWDZBQOSA-N 1 1 387.936 4.904 50 30 GJEAMO C[NH+](C)C=CC(=CC(=O)C(F)(F)F)Nc1ccccc1Oc1ccccc1 ZINC000005586246 523968007 /nfs/dbraw/zinc/96/80/07/523968007.db2.gz NKVBNQFLXFFBAU-FSALDASDSA-N 1 1 376.378 4.981 50 30 GJEAMO COc1ccc([C@H]2CCCCC[N@@H+]2[C@@H](C)C(=O)Nc2sccc2C#N)cc1 ZINC000025053995 570706876 /nfs/dbraw/zinc/70/68/76/570706876.db2.gz BEVUJTQTVZTCHY-HNAYVOBHSA-N 1 1 383.517 4.573 50 30 GJEAMO COc1ccc([C@H]2CCCCC[N@H+]2[C@@H](C)C(=O)Nc2sccc2C#N)cc1 ZINC000025053995 570706878 /nfs/dbraw/zinc/70/68/78/570706878.db2.gz BEVUJTQTVZTCHY-HNAYVOBHSA-N 1 1 383.517 4.573 50 30 GJEAMO COc1ccc([C@H]2CCCCC[N@@H+]2[C@H](C)C(=O)Nc2sccc2C#N)cc1 ZINC000037474992 205026323 /nfs/dbraw/zinc/02/63/23/205026323.db2.gz BEVUJTQTVZTCHY-DNVCBOLYSA-N 1 1 383.517 4.573 50 30 GJEAMO COc1ccc([C@H]2CCCCC[N@H+]2[C@H](C)C(=O)Nc2sccc2C#N)cc1 ZINC000037474992 205026326 /nfs/dbraw/zinc/02/63/26/205026326.db2.gz BEVUJTQTVZTCHY-DNVCBOLYSA-N 1 1 383.517 4.573 50 30 GJEAMO C=CC[N@@H+]1CCc2ccc(O[C@@H](CC)C(=O)NC(C)C)cc2[C@@H]1c1ccccc1 ZINC000034667423 518870668 /nfs/dbraw/zinc/87/06/68/518870668.db2.gz DTPAVRHERDWEQV-ZEQRLZLVSA-N 1 1 392.543 4.502 50 30 GJEAMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000082094226 525918759 /nfs/dbraw/zinc/91/87/59/525918759.db2.gz PQZUCVDMMIEZLJ-GOSISDBHSA-N 1 1 376.504 4.657 50 30 GJEAMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000082094226 525918768 /nfs/dbraw/zinc/91/87/68/525918768.db2.gz PQZUCVDMMIEZLJ-GOSISDBHSA-N 1 1 376.504 4.657 50 30 GJEAMO [NH2+]=C(NOC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1)c1ccccc1 ZINC000004389984 526808135 /nfs/dbraw/zinc/80/81/35/526808135.db2.gz DZCNXBIISFNJIW-UHFFFAOYSA-N 1 1 390.386 4.911 50 30 GJEAMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000012910538 570290826 /nfs/dbraw/zinc/29/08/26/570290826.db2.gz JJDYHVAXOPKELC-UHFFFAOYSA-N 1 1 399.494 4.694 50 30 GJEAMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000012910538 570290827 /nfs/dbraw/zinc/29/08/27/570290827.db2.gz JJDYHVAXOPKELC-UHFFFAOYSA-N 1 1 399.494 4.694 50 30 GJEAMO C=CCC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146535 570549610 /nfs/dbraw/zinc/54/96/10/570549610.db2.gz WFXVISKGMXEVIE-YADHBBJMSA-N 1 1 398.934 4.662 50 30 GJEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000033089329 570808761 /nfs/dbraw/zinc/80/87/61/570808761.db2.gz AHYOFZHKEZODST-XHPQRKPJSA-N 1 1 385.511 4.939 50 30 GJEAMO COc1ccc(C(=[NH2+])NOC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000004682076 204063300 /nfs/dbraw/zinc/06/33/00/204063300.db2.gz JABKOHYRCFZHFZ-UHFFFAOYSA-N 1 1 391.452 4.755 50 30 GJEAMO N#Cc1ccsc1NC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000067772861 211020818 /nfs/dbraw/zinc/02/08/18/211020818.db2.gz JXONCLJCOQXHGD-HXUWFJFHSA-N 1 1 388.496 4.604 50 30 GJEAMO C=C(C)C(O)(C(=C)C)c1ccc(C[N@@H+](CCCOC)Cc2ccccc2OC)o1 ZINC000036167839 518587343 /nfs/dbraw/zinc/58/73/43/518587343.db2.gz SGDBJXOCGHJJMX-UHFFFAOYSA-N 1 1 399.531 4.667 50 30 GJEAMO C=C(C)C(O)(C(=C)C)c1ccc(C[N@H+](CCCOC)Cc2ccccc2OC)o1 ZINC000036167839 518587347 /nfs/dbraw/zinc/58/73/47/518587347.db2.gz SGDBJXOCGHJJMX-UHFFFAOYSA-N 1 1 399.531 4.667 50 30 GJEAMO C=CC[C@@H]1C=C(C)C[C@@H](CC=C)[N@@H+]1C[C@H](O)C(F)(F)C(F)(F)C(F)(F)F ZINC000057459401 519106624 /nfs/dbraw/zinc/10/66/24/519106624.db2.gz HEGHOPOVQNLTNF-MCIONIFRSA-N 1 1 389.355 4.722 50 30 GJEAMO C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000012111545 570959249 /nfs/dbraw/zinc/95/92/49/570959249.db2.gz DXHSFMVTJIRKJT-QFIPXVFZSA-N 1 1 398.934 4.862 50 30 GJEAMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2cccs2)ccc1Cl ZINC000096994705 231002552 /nfs/dbraw/zinc/00/25/52/231002552.db2.gz ZUECXLFZIJSTPR-OAHLLOKOSA-N 1 1 375.925 4.650 50 30 GJEAMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2cccs2)ccc1Cl ZINC000096994705 231002556 /nfs/dbraw/zinc/00/25/56/231002556.db2.gz ZUECXLFZIJSTPR-OAHLLOKOSA-N 1 1 375.925 4.650 50 30 GJEAMO CCn1c2ccccc2c2cc(/C=N/N3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000019850230 523274919 /nfs/dbraw/zinc/27/49/19/523274919.db2.gz MIIJLCOLERMIJI-ZXVVBBHZSA-N 1 1 396.538 4.966 50 30 GJEAMO Cc1nc(-c2cccs2)sc1NC(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000004394456 526617719 /nfs/dbraw/zinc/61/77/19/526617719.db2.gz REJZCTIPGCZUON-UHFFFAOYSA-N 1 1 392.893 4.702 50 30 GJEAMO OC(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)(c1ccccc1)c1ccccc1 ZINC000055236242 527504417 /nfs/dbraw/zinc/50/44/17/527504417.db2.gz VFORLDQRPVZGNE-RUZDIDTESA-N 1 1 382.507 4.548 50 30 biogenic GJEAMO OC(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)(c1ccccc1)c1ccccc1 ZINC000055236242 527504424 /nfs/dbraw/zinc/50/44/24/527504424.db2.gz VFORLDQRPVZGNE-RUZDIDTESA-N 1 1 382.507 4.548 50 30 biogenic GJEAMO CC(C)(C)C(=O)ONC(=[NH2+])c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000004392523 518593407 /nfs/dbraw/zinc/59/34/07/518593407.db2.gz FGWIZLLYQMLBQJ-UHFFFAOYSA-N 1 1 395.286 4.782 50 30 GJEAMO C=CCn1c(C[N@H+](C)C[C@@H]2CC=CCC2)nnc1SCc1cccc(F)c1 ZINC000014977304 519178259 /nfs/dbraw/zinc/17/82/59/519178259.db2.gz FAJQZQIWRUAINE-QGZVFWFLSA-N 1 1 386.540 4.684 50 30 GJEAMO C=CCn1c(C[N@@H+](C)C[C@@H]2CC=CCC2)nnc1SCc1cccc(F)c1 ZINC000014977304 519178268 /nfs/dbraw/zinc/17/82/68/519178268.db2.gz FAJQZQIWRUAINE-QGZVFWFLSA-N 1 1 386.540 4.684 50 30 GJEAMO CC(C)Cc1ccc([C@H](C)C(=O)ONC(=[NH2+])c2ccc(C(F)(F)F)cc2)cc1 ZINC000004390543 519448087 /nfs/dbraw/zinc/44/80/87/519448087.db2.gz FQUOYALTELKOMV-AWEZNQCLSA-N 1 1 392.421 4.871 50 30 GJEAMO C=CC[C@H]1C=C(C)C[C@H](CC=C)[N@@H+]1C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F ZINC000002965475 570320946 /nfs/dbraw/zinc/32/09/46/570320946.db2.gz HEGHOPOVQNLTNF-MELADBBJSA-N 1 1 389.355 4.722 50 30 GJEAMO C=CCn1c(C[N@H+](C)C[C@H]2CC=CCC2)nnc1SCc1cccc(F)c1 ZINC000014977300 519178028 /nfs/dbraw/zinc/17/80/28/519178028.db2.gz FAJQZQIWRUAINE-KRWDZBQOSA-N 1 1 386.540 4.684 50 30 GJEAMO C=CCn1c(C[N@@H+](C)C[C@H]2CC=CCC2)nnc1SCc1cccc(F)c1 ZINC000014977300 519178031 /nfs/dbraw/zinc/17/80/31/519178031.db2.gz FAJQZQIWRUAINE-KRWDZBQOSA-N 1 1 386.540 4.684 50 30 GJEAMO CCCC[N@H+](C)CN1c2ccccc2/C(=N/c2cccc(C(F)(F)F)c2)C1=O ZINC000055121112 520411560 /nfs/dbraw/zinc/41/15/60/520411560.db2.gz GQKWNUMQOPCEHE-PLRJNAJWSA-N 1 1 389.421 4.862 50 30 GJEAMO CCCC[N@@H+](C)CN1c2ccccc2/C(=N/c2cccc(C(F)(F)F)c2)C1=O ZINC000055121112 520411561 /nfs/dbraw/zinc/41/15/61/520411561.db2.gz GQKWNUMQOPCEHE-PLRJNAJWSA-N 1 1 389.421 4.862 50 30 GJEAMO C[NH2+][C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(C#Cc2ccccc2)=C1C ZINC000019855207 522434995 /nfs/dbraw/zinc/43/49/95/522434995.db2.gz BPCQXVWZPZOKKC-AREMUKBSSA-N 1 1 381.475 4.985 50 30 GJEAMO COc1ccc(CC[N@@H+](C)CCC[C@]2(C#N)CCCc3ccccc32)cc1OC ZINC000005674877 523940550 /nfs/dbraw/zinc/94/05/50/523940550.db2.gz MJJVHEUNIGLTQZ-VWLOTQADSA-N 1 1 392.543 4.756 50 30 GJEAMO COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1C[NH+]1CCCCC1 ZINC000007715517 523542693 /nfs/dbraw/zinc/54/26/93/523542693.db2.gz SNQQNEGLIBWZCS-JXMROGBWSA-N 1 1 395.499 4.594 50 30 GJEAMO CC(C)[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000328594236 528744386 /nfs/dbraw/zinc/74/43/86/528744386.db2.gz DKYWZACVNWLDKX-AWEZNQCLSA-N 1 1 378.731 4.507 50 30 GJEAMO C[NH+]1CCN(/N=C/c2c3ccccc3n(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000002709390 570506616 /nfs/dbraw/zinc/50/66/16/570506616.db2.gz JDISLKYPDVOOHJ-NHFJDJAPSA-N 1 1 394.522 4.879 50 30 GJEAMO C=CCOc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000012111544 570959150 /nfs/dbraw/zinc/95/91/50/570959150.db2.gz DXHSFMVTJIRKJT-JOCHJYFZSA-N 1 1 398.934 4.862 50 30 GJEAMO CCCCCCCCc1c(O)nc(SCC[NH+](CCC)CCC)[nH]c1=O ZINC000098044712 520049059 /nfs/dbraw/zinc/04/90/59/520049059.db2.gz QCQWEUWULMZSPF-UHFFFAOYSA-N 1 1 383.602 4.593 50 30 GJEAMO [NH2+]=C(NOC(=O)c1ccc(-c2cccs2)s1)c1ccc(C(F)(F)F)cc1 ZINC000004389915 526810066 /nfs/dbraw/zinc/81/00/66/526810066.db2.gz NLGUGJFMARHWAY-UHFFFAOYSA-N 1 1 396.415 4.973 50 30 GJEAMO [NH2+]=C(NOC(=O)c1ccc(Cl)cc1)c1cccc(CSc2ccccn2)c1 ZINC000004344781 526810328 /nfs/dbraw/zinc/81/03/28/526810328.db2.gz MZWKERYRKDTVNP-UHFFFAOYSA-N 1 1 397.887 4.505 50 30 GJEAMO O=C(c1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2ccc(C#CCCO)cc2)C1 ZINC000012437617 570237485 /nfs/dbraw/zinc/23/74/85/570237485.db2.gz XNZBLSFJUPXOMK-DEOSSOPVSA-N 1 1 397.518 4.669 50 30 GJEAMO N#Cc1nc(-c2cccc3ccccc32)oc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000054358658 570500819 /nfs/dbraw/zinc/50/08/19/570500819.db2.gz FNOOFEGBYVEPAW-UHFFFAOYSA-N 1 1 394.478 4.689 50 30 GJEAMO COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccccc3Cl)[NH+](C)C)o2)cc1 ZINC000027991153 210519844 /nfs/dbraw/zinc/51/98/44/210519844.db2.gz HSYMVWXAHFPMFP-LJQANCHMSA-N 1 1 396.878 4.590 50 30 GJEAMO N#CCc1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019596572 210276180 /nfs/dbraw/zinc/27/61/80/210276180.db2.gz BJVSVUBVAHJRPL-UHFFFAOYSA-N 1 1 381.479 4.563 50 30 GJEAMO C#CC[N@H+](Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C)C1CCCCC1 ZINC000019782380 518262032 /nfs/dbraw/zinc/26/20/32/518262032.db2.gz NOFWQVFDOYUOAN-UHFFFAOYSA-N 1 1 386.879 4.800 50 30 GJEAMO CC(C)c1ccc(N[C@H]2CCC[N@@H+](Cc3ccc(C#CCCO)cc3)C2)cc1 ZINC000012304573 519837843 /nfs/dbraw/zinc/83/78/43/519837843.db2.gz CCQRPIOCKSGZNH-VWLOTQADSA-N 1 1 376.544 4.620 50 30 GJEAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000023627162 570328524 /nfs/dbraw/zinc/32/85/24/570328524.db2.gz ZOJDKNNOPHVQBB-LJQANCHMSA-N 1 1 393.494 4.999 50 30 GJEAMO [NH2+]=C(Cc1ccc(Cl)cc1Cl)NOC(=O)C=Cc1ccccc1Cl ZINC000006889366 570683339 /nfs/dbraw/zinc/68/33/39/570683339.db2.gz GODYIBCDQUSIMR-SOFGYWHQSA-N 1 1 383.662 4.718 50 30 GJEAMO C=CC[C@@H]1C=C(C)C[C@H](CC=C)[N@@H+]1C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F ZINC000013633673 570764773 /nfs/dbraw/zinc/76/47/73/570764773.db2.gz HEGHOPOVQNLTNF-HZSPNIEDSA-N 1 1 389.355 4.722 50 30 GJEAMO COc1ccc(/C=N/CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004729028 570883711 /nfs/dbraw/zinc/88/37/11/570883711.db2.gz CUJQKPIQOCCCCD-KMYWASMBSA-N 1 1 394.559 4.811 50 30 GJEAMO COc1ccc(CC[N@@H+](C)CCC[C@@]2(C#N)CCCc3ccccc32)cc1OC ZINC000004486599 533476201 /nfs/dbraw/zinc/47/62/01/533476201.db2.gz MJJVHEUNIGLTQZ-RUZDIDTESA-N 1 1 392.543 4.756 50 30 GJEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000012702779 519329556 /nfs/dbraw/zinc/32/95/56/519329556.db2.gz DHTZDSIUPBSWFU-OAQYLSRUSA-N 1 1 395.930 4.557 50 30 GJEAMO CC(C)[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000328594237 527850782 /nfs/dbraw/zinc/85/07/82/527850782.db2.gz DKYWZACVNWLDKX-CQSZACIVSA-N 1 1 378.731 4.507 50 30 GJEAMO C[C@@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)[C@H](C)[C@@]1(O)C#Cc1ccccc1 ZINC000239309386 570429016 /nfs/dbraw/zinc/42/90/16/570429016.db2.gz HMVLFUWQWMPWKQ-SGASDGEISA-N 1 1 395.546 5.469 50 30 GJEAMO C=CC[N@@H+]1CCc2ccc(O[C@H](CC)C(=O)NC(C)C)cc2[C@@H]1c1ccccc1 ZINC000034667424 518871001 /nfs/dbraw/zinc/87/10/01/518871001.db2.gz DTPAVRHERDWEQV-RPWUZVMVSA-N 1 1 392.543 4.502 50 30 GJEAMO C=CC[N@@H+]1CCc2ccc(O[C@@H](CC)C(=O)NC(C)C)cc2[C@H]1c1ccccc1 ZINC000034667425 518871415 /nfs/dbraw/zinc/87/14/15/518871415.db2.gz DTPAVRHERDWEQV-BJKOFHAPSA-N 1 1 392.543 4.502 50 30 GJEAMO C=CCn1c(C[N@H+](C)CC2CCCCC2)nnc1SCc1cccc(F)c1 ZINC000014969776 519178357 /nfs/dbraw/zinc/17/83/57/519178357.db2.gz SPOFWJCMXLQGTC-UHFFFAOYSA-N 1 1 388.556 4.908 50 30 GJEAMO C=CCn1c(C[N@@H+](C)CC2CCCCC2)nnc1SCc1cccc(F)c1 ZINC000014969776 519178365 /nfs/dbraw/zinc/17/83/65/519178365.db2.gz SPOFWJCMXLQGTC-UHFFFAOYSA-N 1 1 388.556 4.908 50 30 GJEAMO COc1c2c(cc3c1[C@H](CC(=O)/C=C/C(C)(C)CC=C(C)C)[N@H+](C)CC3)OCO2 ZINC000020111887 521890092 /nfs/dbraw/zinc/89/00/92/521890092.db2.gz ONOPZUMQDQIUCO-BLRBJFNZSA-N 1 1 399.531 4.851 50 30 biogenic GJEAMO COc1c2c(cc3c1[C@H](CC(=O)/C=C/C(C)(C)CC=C(C)C)[N@@H+](C)CC3)OCO2 ZINC000020111887 521890101 /nfs/dbraw/zinc/89/01/01/521890101.db2.gz ONOPZUMQDQIUCO-BLRBJFNZSA-N 1 1 399.531 4.851 50 30 biogenic GJEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(Cl)cc3Cl)CC2)c(C)c1 ZINC000019800705 524454132 /nfs/dbraw/zinc/45/41/32/524454132.db2.gz LRQPGQZDQHNGAH-YDZHTSKRSA-N 1 1 376.331 4.762 50 30 GJEAMO CC(C)c1ccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCCC2)c2cccs2)cc1 ZINC000057929605 528135396 /nfs/dbraw/zinc/13/53/96/528135396.db2.gz SBVQKECHZWBJQG-OAQYLSRUSA-N 1 1 381.545 4.503 50 30 GJEAMO CC(C)(C)[N@@H+](CC#C[C@@](O)(c1ccccc1)c1cccnc1)Cc1ccccc1 ZINC000061868484 570532106 /nfs/dbraw/zinc/53/21/06/570532106.db2.gz KDFDOFVYKKKKHC-AREMUKBSSA-N 1 1 384.523 4.622 50 30 GJEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000019849068 524452445 /nfs/dbraw/zinc/45/24/45/524452445.db2.gz BQTWCVYJOOBVJY-ZXVVBBHZSA-N 1 1 399.538 4.726 50 30 GJEAMO [NH2+]=C(NOC(=O)c1ccccc1-c1ccccc1)c1ccc(Br)cc1 ZINC000005013581 526810077 /nfs/dbraw/zinc/81/00/77/526810077.db2.gz YNJYLPHPUZVUHM-UHFFFAOYSA-N 1 1 395.256 4.593 50 30 GJEAMO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CCCC[C@H]4c4cccnc4)[C@H]3C[C@@H]12 ZINC000252693186 570419914 /nfs/dbraw/zinc/41/99/14/570419914.db2.gz BQQBCCCZBJNJIU-ZNMAMXLYSA-N 1 1 394.559 4.923 50 30 biogenic GJEAMO C[C@@H]([NH2+]CC(=O)Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl ZINC000032819871 570841392 /nfs/dbraw/zinc/84/13/92/570841392.db2.gz FETPKXDUWUBGAU-LLVKDONJSA-N 1 1 391.258 4.982 50 30 GJEAMO COc1ccc(/C(C)=N/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000033344923 523362304 /nfs/dbraw/zinc/36/23/04/523362304.db2.gz LVUPKYDVJIHAEA-SZXQPVLSSA-N 1 1 399.538 4.826 50 30 GJEAMO COc1ccc(/C(C)=N\N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019805807 523363356 /nfs/dbraw/zinc/36/33/56/523363356.db2.gz LVUPKYDVJIHAEA-MEFGMAGPSA-N 1 1 399.538 4.826 50 30 GJEAMO COc1ccc(/C=N/CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004729027 523437447 /nfs/dbraw/zinc/43/74/47/523437447.db2.gz CUJQKPIQOCCCCD-UKHVQANPSA-N 1 1 394.559 4.811 50 30 GJEAMO C=CCOc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2CC2CCCCC2)C1 ZINC000299764529 570652713 /nfs/dbraw/zinc/65/27/13/570652713.db2.gz AGBOHBSHMMKOGB-GGAORHGYSA-N 1 1 396.575 4.645 50 30 GJEAMO CC(C)Cc1ccc([C@@H](C)C(=O)ONC(=[NH2+])c2ccc(C(F)(F)F)cc2)cc1 ZINC000004390542 519445158 /nfs/dbraw/zinc/44/51/58/519445158.db2.gz FQUOYALTELKOMV-CQSZACIVSA-N 1 1 392.421 4.871 50 30 GJEAMO COc1ccc(C(C)=NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000252620000 571025979 /nfs/dbraw/zinc/02/59/79/571025979.db2.gz LVUPKYDVJIHAEA-UHFFFAOYSA-N 1 1 399.538 4.826 50 30 GJEAMO OC(CC#CC[N@H+]1CC[C@@H](c2ccccc2)C1)(c1ccccc1)c1ccccc1 ZINC000001809690 212101138 /nfs/dbraw/zinc/10/11/38/212101138.db2.gz WVMZKWJXFUPLNC-XMMPIXPASA-N 1 1 381.519 4.806 50 30 GJEAMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H]2c2ccc(Cl)cc2)sc2c1CCC2 ZINC000253417228 209039718 /nfs/dbraw/zinc/03/97/18/209039718.db2.gz ANAACAFNWBNULE-KRWDZBQOSA-N 1 1 385.920 4.537 50 30 GJEAMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)sc2c1CCC2 ZINC000253417228 209039721 /nfs/dbraw/zinc/03/97/21/209039721.db2.gz ANAACAFNWBNULE-KRWDZBQOSA-N 1 1 385.920 4.537 50 30 GJEAMO Cc1cccc(/N=C2/c3ccccc3N(C[N@@H+](C)C3CCCCC3)C2=O)c1C ZINC000014922844 524155798 /nfs/dbraw/zinc/15/57/98/524155798.db2.gz DEUFNMLVHLSSNO-BZZOAKBMSA-N 1 1 375.516 4.993 50 30 GJEAMO Cc1cccc(/N=C2/c3ccccc3N(C[N@H+](C)C3CCCCC3)C2=O)c1C ZINC000014922844 524155803 /nfs/dbraw/zinc/15/58/03/524155803.db2.gz DEUFNMLVHLSSNO-BZZOAKBMSA-N 1 1 375.516 4.993 50 30 GJEAMO C=CC[C@H]1C=C(C)C[C@H](CC=C)[N@@H+]1C[C@H](O)C(F)(F)C(F)(F)C(F)(F)F ZINC000005482636 570441705 /nfs/dbraw/zinc/44/17/05/570441705.db2.gz HEGHOPOVQNLTNF-IHRRRGAJSA-N 1 1 389.355 4.722 50 30 GJEAMO CC(C)(C)[N@@H+](CC#C[C@](O)(c1ccccc1)c1cccnc1)Cc1ccccc1 ZINC000061868485 570532252 /nfs/dbraw/zinc/53/22/52/570532252.db2.gz KDFDOFVYKKKKHC-SANMLTNESA-N 1 1 384.523 4.622 50 30 GJEAMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2cccs2)ccc1Cl ZINC000096994704 231002071 /nfs/dbraw/zinc/00/20/71/231002071.db2.gz ZUECXLFZIJSTPR-HNNXBMFYSA-N 1 1 375.925 4.650 50 30 GJEAMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2cccs2)ccc1Cl ZINC000096994704 231002074 /nfs/dbraw/zinc/00/20/74/231002074.db2.gz ZUECXLFZIJSTPR-HNNXBMFYSA-N 1 1 375.925 4.650 50 30 GJEAMO OC1(CC#CC[N@H+]2CC[C@@H](c3ccccc3)C2)c2ccccc2-c2ccccc21 ZINC000002272402 212100874 /nfs/dbraw/zinc/10/08/74/212100874.db2.gz WSCZYPIZXWKJGE-JOCHJYFZSA-N 1 1 379.503 4.786 50 30 GJEAMO CC(C)c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc(C#CCCO)cc3)C2)cc1 ZINC000012304572 221178042 /nfs/dbraw/zinc/17/80/42/221178042.db2.gz CCQRPIOCKSGZNH-RUZDIDTESA-N 1 1 376.544 4.620 50 30 GJEAMO N#Cc1c(Cl)nc(NCc2ccccc2)c2c1CC[N@H+](C1CCCCC1)C2 ZINC000013512069 221270656 /nfs/dbraw/zinc/27/06/56/221270656.db2.gz BYQUUNTZBWGWDF-UHFFFAOYSA-N 1 1 380.923 4.910 50 30 GJEAMO N#Cc1c(Cl)nc(NCc2ccccc2)c2c1CC[N@@H+](C1CCCCC1)C2 ZINC000013512069 221270659 /nfs/dbraw/zinc/27/06/59/221270659.db2.gz BYQUUNTZBWGWDF-UHFFFAOYSA-N 1 1 380.923 4.910 50 30 GJEAMO CC=C1C[N@H+]2CC[C@]34c5ccccc5N=C3C(=C[NH2+]Nc3ccccc3)[C@H]1C[C@H]24 ZINC000055065576 518556465 /nfs/dbraw/zinc/55/64/65/518556465.db2.gz OJZNJHNPLYYHOW-UYYGVTAYSA-N 1 1 382.511 4.756 50 30 biogenic GJEAMO COc1ccc(/C=C2\Oc3c(cc(C[NH+]4CCC(C)CC4)c(O)c3C)C2=O)cc1 ZINC000028182409 523418672 /nfs/dbraw/zinc/41/86/72/523418672.db2.gz LFTVDBHBZMJKQU-MTJSOVHGSA-N 1 1 393.483 4.557 50 30 GJEAMO C[C@H]([NH2+]CC(=O)Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl ZINC000032819873 570841520 /nfs/dbraw/zinc/84/15/20/570841520.db2.gz FETPKXDUWUBGAU-NSHDSACASA-N 1 1 391.258 4.982 50 30 GJEAMO C#CCn1c(=O)c(C[N@@H+]2CC=C(c3ccccc3)CC2)cc2ccc(Cl)cc21 ZINC000012150654 206245507 /nfs/dbraw/zinc/24/55/07/206245507.db2.gz XJEWXWPFGIFTPN-UHFFFAOYSA-N 1 1 388.898 4.577 50 30 GJEAMO OC1(CC#CC[N@H+]2CC[C@H](c3ccccc3)C2)c2ccccc2-c2ccccc21 ZINC000002272401 206249804 /nfs/dbraw/zinc/24/98/04/206249804.db2.gz WSCZYPIZXWKJGE-QFIPXVFZSA-N 1 1 379.503 4.786 50 30 GJEAMO COc1ccc(/C=N/CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000013510135 523438528 /nfs/dbraw/zinc/43/85/28/523438528.db2.gz CUJQKPIQOCCCCD-QULNXHQNSA-N 1 1 394.559 4.811 50 30 GJEAMO COc1ccc(CC[N@@H+](C)CCC[C@](C)(C#N)c2ccccc2C)cc1OC ZINC000005712021 523940412 /nfs/dbraw/zinc/94/04/12/523940412.db2.gz IPQKKTQVIYRCQT-XMMPIXPASA-N 1 1 380.532 4.748 50 30 GJEAMO Cc1ccc(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@@H](C)C3)C2=O)cc1Cl ZINC000013714743 525970034 /nfs/dbraw/zinc/97/00/34/525970034.db2.gz KGFMZLCDBSQSGV-MQUBGCMGSA-N 1 1 381.907 4.805 50 30 GJEAMO Cc1ccc(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1Cl ZINC000013714743 525970043 /nfs/dbraw/zinc/97/00/43/525970043.db2.gz KGFMZLCDBSQSGV-MQUBGCMGSA-N 1 1 381.907 4.805 50 30 GJEAMO C[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H](C)[C@@]1(O)C#Cc1ccccc1 ZINC000239309385 570429092 /nfs/dbraw/zinc/42/90/92/570429092.db2.gz HMVLFUWQWMPWKQ-HAEHXTKPSA-N 1 1 395.546 5.469 50 30 GJEAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000012760744 221227771 /nfs/dbraw/zinc/22/77/71/221227771.db2.gz GOTVTYMTPBKLCO-NRFANRHFSA-N 1 1 397.906 4.776 50 30 GJEAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000012760744 221227772 /nfs/dbraw/zinc/22/77/72/221227772.db2.gz GOTVTYMTPBKLCO-NRFANRHFSA-N 1 1 397.906 4.776 50 30 GJEAMO C#CC[C@@H](NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)c1ccccc1 ZINC000095441694 518339239 /nfs/dbraw/zinc/33/92/39/518339239.db2.gz QJJMPEAPJQHGRG-JOCHJYFZSA-N 1 1 386.499 4.941 50 30 GJEAMO C=CC[N@@H+]1CCc2ccc(O[C@H](CC)C(=O)NC(C)C)cc2[C@H]1c1ccccc1 ZINC000034667426 518870397 /nfs/dbraw/zinc/87/03/97/518870397.db2.gz DTPAVRHERDWEQV-DNQXCXABSA-N 1 1 392.543 4.502 50 30 GJEAMO C=CCOc1ccccc1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000055292256 519070625 /nfs/dbraw/zinc/07/06/25/519070625.db2.gz CFABMAAWTPNUGP-UHFFFAOYSA-N 1 1 376.422 4.592 50 30 GJEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000025329218 524453948 /nfs/dbraw/zinc/45/39/48/524453948.db2.gz XLWMECIDVSSEQH-YDZHTSKRSA-N 1 1 376.331 4.762 50 30 GJEAMO Cc1ccc(O)c(/C=N/c2sc3c(c2C#N)CC[N@@H+](Cc2ccccc2)C3)c1 ZINC000023375063 570358214 /nfs/dbraw/zinc/35/82/14/570358214.db2.gz ADJIXIMFOOHZSV-DHRITJCHSA-N 1 1 387.508 4.943 50 30 GJEAMO Cc1ccc(O)c(/C=N/c2sc3c(c2C#N)CC[N@H+](Cc2ccccc2)C3)c1 ZINC000023375063 570358215 /nfs/dbraw/zinc/35/82/15/570358215.db2.gz ADJIXIMFOOHZSV-DHRITJCHSA-N 1 1 387.508 4.943 50 30 GJEAMO Cc1cccc(/C=N/c2sc3c(c2C#N)CC[N@@H+](Cc2ccccc2)C3)c1O ZINC000000830523 206325244 /nfs/dbraw/zinc/32/52/44/206325244.db2.gz HWURGDFPJRCUEH-DHRITJCHSA-N 1 1 387.508 4.943 50 30 GJEAMO Cc1cccc(/C=N/c2sc3c(c2C#N)CC[N@H+](Cc2ccccc2)C3)c1O ZINC000000830523 206325245 /nfs/dbraw/zinc/32/52/45/206325245.db2.gz HWURGDFPJRCUEH-DHRITJCHSA-N 1 1 387.508 4.943 50 30 GJEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cccc(Cl)c3Cl)CC2)c(C)c1 ZINC000020190832 207182620 /nfs/dbraw/zinc/18/26/20/207182620.db2.gz QRQXJYGFYFRKFK-YDZHTSKRSA-N 1 1 376.331 4.762 50 30 GJEAMO C=CCSc1nnc([C@@H]2CCC[N@H+](C/C(Cl)=C/c3ccccc3)C2)n1C ZINC000014956788 519091071 /nfs/dbraw/zinc/09/10/71/519091071.db2.gz GSWGMEPPSZMBEO-GFWHJHDHSA-N 1 1 388.968 4.553 50 30 GJEAMO C=CCSc1nnc([C@@H]2CCC[N@@H+](C/C(Cl)=C/c3ccccc3)C2)n1C ZINC000014956788 519091075 /nfs/dbraw/zinc/09/10/75/519091075.db2.gz GSWGMEPPSZMBEO-GFWHJHDHSA-N 1 1 388.968 4.553 50 30 GJEAMO [NH2+]=C(NOC(=O)Nc1ccc(Cl)cc1)c1ccc(C2SCCS2)cc1 ZINC000004382691 526808931 /nfs/dbraw/zinc/80/89/31/526808931.db2.gz AXONEUYYSVXIFW-UHFFFAOYSA-N 1 1 393.921 4.688 50 30 GJEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cccc(OCc4ccccc4)c3)CC2)cc1 ZINC000020171725 570246031 /nfs/dbraw/zinc/24/60/31/570246031.db2.gz IVQGYFFKCHXWLE-ZXVVBBHZSA-N 1 1 399.538 4.726 50 30 GJEAMO C[N@@H+](Cc1ccccc1NCC(=O)NC1(C#N)CCCCCC1)C1CCCCC1 ZINC000032906656 570905222 /nfs/dbraw/zinc/90/52/22/570905222.db2.gz JGCJWCWITTYDCO-UHFFFAOYSA-N 1 1 396.579 4.596 50 30 GJEAMO C=C(C)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@@H+](C)C3 ZINC000020827066 206252629 /nfs/dbraw/zinc/25/26/29/206252629.db2.gz RGELWQWWGGEGNO-UHFFFAOYSA-N 1 1 389.590 4.619 50 30 GJEAMO C=C(C)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@H+](C)C3 ZINC000020827066 206252634 /nfs/dbraw/zinc/25/26/34/206252634.db2.gz RGELWQWWGGEGNO-UHFFFAOYSA-N 1 1 389.590 4.619 50 30 GJEAMO CCCN(CCC)c1nc(NCc2ccccc2)c(C#N)c2c1C[N@H+](CC)CC2 ZINC000013764200 221288430 /nfs/dbraw/zinc/28/84/30/221288430.db2.gz AAQOLOLYQFPZEA-UHFFFAOYSA-N 1 1 391.563 4.570 50 30 GJEAMO CCCN(CCC)c1nc(NCc2ccccc2)c(C#N)c2c1C[N@@H+](CC)CC2 ZINC000013764200 221288433 /nfs/dbraw/zinc/28/84/33/221288433.db2.gz AAQOLOLYQFPZEA-UHFFFAOYSA-N 1 1 391.563 4.570 50 30 GJEAMO C#CC[N@H+](Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C)C1CCCCC1 ZINC000020908767 518261991 /nfs/dbraw/zinc/26/19/91/518261991.db2.gz ZRMGZRGNKIHLOZ-UHFFFAOYSA-N 1 1 382.504 4.744 50 30 GJEAMO CCCN(CCC)c1ccc(/C=[NH+]/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000005735789 521650295 /nfs/dbraw/zinc/65/02/95/521650295.db2.gz RUUDEXGJMFBSSD-XIEYBQDHSA-N 1 1 390.531 4.861 50 30 GJEAMO COc1ccc(CC[N@@H+](C)CCC[C@@](C)(C#N)c2ccccc2C)cc1OC ZINC000005711982 523939118 /nfs/dbraw/zinc/93/91/18/523939118.db2.gz IPQKKTQVIYRCQT-DEOSSOPVSA-N 1 1 380.532 4.748 50 30 GJEAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000023627164 570328500 /nfs/dbraw/zinc/32/85/00/570328500.db2.gz ZOJDKNNOPHVQBB-IBGZPJMESA-N 1 1 393.494 4.999 50 30 GJEAMO C=CCSc1ccccc1NC(=O)C[NH2+]C1(c2nc(C)cs2)CCCC1 ZINC000072308885 570529044 /nfs/dbraw/zinc/52/90/44/570529044.db2.gz MSEVIXDZNGTKMZ-UHFFFAOYSA-N 1 1 387.574 4.727 50 30 GJEAMO OC1(CC#CC[N@@H+]2CCCC[C@H]2c2cccnc2)c2ccccc2-c2ccccc21 ZINC000061991216 570558660 /nfs/dbraw/zinc/55/86/60/570558660.db2.gz DVDDNXZOOKIHCE-SANMLTNESA-N 1 1 394.518 4.919 50 30 biogenic GJEAMO OC1(CC#CC[N@H+]2CCCC[C@H]2c2cccnc2)c2ccccc2-c2ccccc21 ZINC000061991216 570558661 /nfs/dbraw/zinc/55/86/61/570558661.db2.gz DVDDNXZOOKIHCE-SANMLTNESA-N 1 1 394.518 4.919 50 30 biogenic GJEAMO CCCC[N@@H+](C)C[C@@H](O)Cn1cc(/C=C/C(=O)c2ccccc2)c2ccccc21 ZINC000004116445 520415361 /nfs/dbraw/zinc/41/53/61/520415361.db2.gz GWEHFYMAEAZCBW-JXVRESAISA-N 1 1 390.527 4.630 50 30 GJEAMO COc1c2c(cc3c1[C@@H](CC(=O)/C=C/C(C)(C)CC=C(C)C)[N@H+](C)CC3)OCO2 ZINC000020111889 521886076 /nfs/dbraw/zinc/88/60/76/521886076.db2.gz ONOPZUMQDQIUCO-UFUQCMIWSA-N 1 1 399.531 4.851 50 30 biogenic GJEAMO COc1c2c(cc3c1[C@@H](CC(=O)/C=C/C(C)(C)CC=C(C)C)[N@@H+](C)CC3)OCO2 ZINC000020111889 521886086 /nfs/dbraw/zinc/88/60/86/521886086.db2.gz ONOPZUMQDQIUCO-UFUQCMIWSA-N 1 1 399.531 4.851 50 30 biogenic GJEAMO C[NH2+][C@]1(c2ccc(OC)cc2)Oc2ccccc2C(C#Cc2ccccc2)=C1C ZINC000019855209 522535585 /nfs/dbraw/zinc/53/55/85/522535585.db2.gz BPCQXVWZPZOKKC-SANMLTNESA-N 1 1 381.475 4.985 50 30 GJEAMO N#Cc1cccnc1N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000012912208 570291333 /nfs/dbraw/zinc/29/13/33/570291333.db2.gz SALXYSFMRVTTLB-UHFFFAOYSA-N 1 1 394.931 4.657 50 30 GJEAMO Cc1cc(C#N)ccc1-c1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000584895695 570892753 /nfs/dbraw/zinc/89/27/53/570892753.db2.gz PEKPXDRTXDWMIS-UHFFFAOYSA-N 1 1 387.527 4.624 50 30 GJEAMO Cc1ccsc1C[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000008324495 206746829 /nfs/dbraw/zinc/74/68/29/206746829.db2.gz MGKBYKXGEIKNOD-CQSZACIVSA-N 1 1 387.574 4.718 50 30 GJEAMO Cc1ccsc1C[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000008324495 206746832 /nfs/dbraw/zinc/74/68/32/206746832.db2.gz MGKBYKXGEIKNOD-CQSZACIVSA-N 1 1 387.574 4.718 50 30 GJEAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000012532340 221202763 /nfs/dbraw/zinc/20/27/63/221202763.db2.gz OVCASVWFASEHSC-OAHLLOKOSA-N 1 1 382.895 4.641 50 30 GJEAMO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000005936091 519031370 /nfs/dbraw/zinc/03/13/70/519031370.db2.gz SCXVUSYEUHOIBB-UHFFFAOYSA-N 1 1 379.287 4.629 50 30 GJEAMO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000005936091 519031374 /nfs/dbraw/zinc/03/13/74/519031374.db2.gz SCXVUSYEUHOIBB-UHFFFAOYSA-N 1 1 379.287 4.629 50 30 GJEAMO C[N@H+](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C1CCCCC1 ZINC000058120952 522533226 /nfs/dbraw/zinc/53/32/26/522533226.db2.gz VFUZMLKTQQNMFU-QGZVFWFLSA-N 1 1 387.936 4.904 50 30 GJEAMO C[N@@H+](CC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2)cs1)C1CCCCC1 ZINC000058120952 522533234 /nfs/dbraw/zinc/53/32/34/522533234.db2.gz VFUZMLKTQQNMFU-QGZVFWFLSA-N 1 1 387.936 4.904 50 30 GJEAMO Cc1ccc(C[NH+]2CCN(/N=C\C(Br)=C\c3ccccc3)CC2)cc1 ZINC000019594620 524455635 /nfs/dbraw/zinc/45/56/35/524455635.db2.gz DVVNCGSTTLCXHD-DCUOGXPFSA-N 1 1 398.348 4.534 50 30 GJEAMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000082094224 526235628 /nfs/dbraw/zinc/23/56/28/526235628.db2.gz PQZUCVDMMIEZLJ-SFHVURJKSA-N 1 1 376.504 4.657 50 30 GJEAMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000082094224 526235636 /nfs/dbraw/zinc/23/56/36/526235636.db2.gz PQZUCVDMMIEZLJ-SFHVURJKSA-N 1 1 376.504 4.657 50 30 GJEAMO OC(C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)(c1ccccc1)c1ccccc1 ZINC000055236246 527504137 /nfs/dbraw/zinc/50/41/37/527504137.db2.gz VFORLDQRPVZGNE-VWLOTQADSA-N 1 1 382.507 4.548 50 30 biogenic GJEAMO OC(C#CC[N@H+]1CCCC[C@H]1c1cccnc1)(c1ccccc1)c1ccccc1 ZINC000055236246 527504141 /nfs/dbraw/zinc/50/41/41/527504141.db2.gz VFORLDQRPVZGNE-VWLOTQADSA-N 1 1 382.507 4.548 50 30 biogenic GJEAMO OC(CC#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)(c1ccccc1)c1ccccc1 ZINC000061991227 570558722 /nfs/dbraw/zinc/55/87/22/570558722.db2.gz OMEHVOYIAJGHCF-AREMUKBSSA-N 1 1 396.534 4.938 50 30 biogenic GJEAMO OC(CC#CC[N@H+]1CCCC[C@@H]1c1cccnc1)(c1ccccc1)c1ccccc1 ZINC000061991227 570558725 /nfs/dbraw/zinc/55/87/25/570558725.db2.gz OMEHVOYIAJGHCF-AREMUKBSSA-N 1 1 396.534 4.938 50 30 biogenic GJEAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000012532343 570834148 /nfs/dbraw/zinc/83/41/48/570834148.db2.gz OVCASVWFASEHSC-HNNXBMFYSA-N 1 1 382.895 4.641 50 30 GJEAMO c1ccc2c(c1)CC1(CCCC1)N=C2N[NH+]=C1NC2(CCCC2)Cc2ccccc21 ZINC000016310310 570921984 /nfs/dbraw/zinc/92/19/84/570921984.db2.gz AXXDINWMUQVWIU-UHFFFAOYSA-N 1 1 398.554 4.712 50 30 GJEAMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCCc2ccccc21 ZINC000007911964 221016196 /nfs/dbraw/zinc/01/61/96/221016196.db2.gz SMUZIIKHQMKHLD-HXUWFJFHSA-N 1 1 393.556 4.837 50 30 GJEAMO [NH2+]=C(NOC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(Br)c1 ZINC000004832854 526809316 /nfs/dbraw/zinc/80/93/16/526809316.db2.gz XGHHFEGZNQTYTL-UHFFFAOYSA-N 1 1 395.256 4.593 50 30 GJEAMO COc1ccc([C@@H]2CCCCC[N@@H+]2[C@@H](C)C(=O)Nc2sccc2C#N)cc1 ZINC000025053990 570706831 /nfs/dbraw/zinc/70/68/31/570706831.db2.gz BEVUJTQTVZTCHY-KXBFYZLASA-N 1 1 383.517 4.573 50 30 GJEAMO COc1ccc([C@@H]2CCCCC[N@H+]2[C@@H](C)C(=O)Nc2sccc2C#N)cc1 ZINC000025053990 570706834 /nfs/dbraw/zinc/70/68/34/570706834.db2.gz BEVUJTQTVZTCHY-KXBFYZLASA-N 1 1 383.517 4.573 50 30 GJEAMO CCN1CCCc2cc(/C=[NH+]\NC(=S)Nc3ccc(C(C)C)cc3)ccc21 ZINC000033096895 570809647 /nfs/dbraw/zinc/80/96/47/570809647.db2.gz JBQJARPIQXIFOI-HAHDFKILSA-N 1 1 380.561 4.903 50 30 GJEAMO C/C(=N\N1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(Cl)cc1Cl ZINC000025329334 518459676 /nfs/dbraw/zinc/45/96/76/518459676.db2.gz JNJIZEMOEBEWJC-XQNSMLJCSA-N 1 1 376.331 4.844 50 30 GJEAMO C=CCC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147171 570549135 /nfs/dbraw/zinc/54/91/35/570549135.db2.gz JIFSTXDQNPYMDJ-VXKWHMMOSA-N 1 1 398.934 4.662 50 30 GJEAMO CCCC[N@@H+](C)C[C@@H](O)Cn1cc(/C=C\C(=O)c2cccs2)c2ccccc21 ZINC000169616036 570559006 /nfs/dbraw/zinc/55/90/06/570559006.db2.gz SALBKFMJBBCCIC-YAINUAMHSA-N 1 1 396.556 4.692 50 30 GJEAMO CC(C)/[NH+]=C(\c1cccs1)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000057991403 570705464 /nfs/dbraw/zinc/70/54/64/570705464.db2.gz JKJBCRSHBISCBJ-ZBJSNUHESA-N 1 1 379.932 4.513 50 30 GJEAMO C/C(=N\N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1ccccc1O ZINC000100832206 518460219 /nfs/dbraw/zinc/46/02/19/518460219.db2.gz YEYMNXROLRKWEP-NLRVBDNBSA-N 1 1 383.495 4.504 50 30 GJEAMO CCCCCCCCCOCn1c2ccccc2n(CC[NH+](CC)CC)c1=N ZINC000100518476 520030201 /nfs/dbraw/zinc/03/02/01/520030201.db2.gz CHEZSPWXEBITAB-UHFFFAOYSA-N 1 1 388.600 4.989 50 30 GJEAMO CCCC[N@@H+](C)C[C@H](O)Cn1cc(/C=C\C(=O)c2cccs2)c2ccccc21 ZINC000096498766 520418170 /nfs/dbraw/zinc/41/81/70/520418170.db2.gz SALBKFMJBBCCIC-JZHDPFOFSA-N 1 1 396.556 4.692 50 30 GJEAMO OC1(CC#CC[N@@H+]2CCCC[C@@H]2c2cccnc2)c2ccccc2-c2ccccc21 ZINC000061991215 570558674 /nfs/dbraw/zinc/55/86/74/570558674.db2.gz DVDDNXZOOKIHCE-AREMUKBSSA-N 1 1 394.518 4.919 50 30 biogenic GJEAMO OC1(CC#CC[N@H+]2CCCC[C@@H]2c2cccnc2)c2ccccc2-c2ccccc21 ZINC000061991215 570558676 /nfs/dbraw/zinc/55/86/76/570558676.db2.gz DVDDNXZOOKIHCE-AREMUKBSSA-N 1 1 394.518 4.919 50 30 biogenic GJEAMO