smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CC[N@@H+]1CCN(Cc2cc(Cl)ccc2[O-])C[C@@H]1CCO ZINC000020999105 202061146 /nfs/dbraw/zinc/06/11/46/202061146.db2.gz RXRGQVIQGJANOT-KRWDZBQOSA-N 0 3 340.895 2.960 50 10 EFCAHN CC(C)CC[N@H+]1CCN(Cc2cc(Cl)ccc2[O-])C[C@@H]1CCO ZINC000020999105 202061147 /nfs/dbraw/zinc/06/11/47/202061147.db2.gz RXRGQVIQGJANOT-KRWDZBQOSA-N 0 3 340.895 2.960 50 10 EFCAHN CCn1ccnc1Cn1ccnc1-c1ccc([O-])c(C[NH+](C)C)c1 ZINC000071752514 203107851 /nfs/dbraw/zinc/10/78/51/203107851.db2.gz MEBUYBWTZDYSIN-UHFFFAOYSA-N 0 3 325.416 2.582 50 10 EFCAHN COc1ccc(N2CCN(C(=O)[C@@H](C)N3CCCC3)CC2(C)C)cc1 ZINC000091725771 203648982 /nfs/dbraw/zinc/64/89/82/203648982.db2.gz OAKFWXPZJFABTH-MRXNPFEDSA-N 0 3 345.487 2.607 50 10 EFCAHN COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000005097767 278007611 /nfs/dbraw/zinc/00/76/11/278007611.db2.gz DTVRAWWGZAQULT-IBGZPJMESA-N 0 3 341.455 2.794 50 10 biogenic EFCAHN [O-]c1ccccc1C[N@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000011974229 471762265 /nfs/dbraw/zinc/76/22/65/471762265.db2.gz WOBRPGFQIILEQA-UHFFFAOYSA-N 0 3 348.450 2.827 50 10 EFCAHN [O-]c1ccccc1C[N@@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000011974229 471762271 /nfs/dbraw/zinc/76/22/71/471762271.db2.gz WOBRPGFQIILEQA-UHFFFAOYSA-N 0 3 348.450 2.827 50 10 EFCAHN CCOc1cccc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c1[O-] ZINC000004725481 210260883 /nfs/dbraw/zinc/26/08/83/210260883.db2.gz OYYGHQQICPIXGY-UHFFFAOYSA-N 0 3 334.460 2.775 50 10 EFCAHN CC(C)=CCN1CCN(Cc2cc(Cl)ccc2O)C[C@H]1CCO ZINC000104510879 219391948 /nfs/dbraw/zinc/39/19/48/219391948.db2.gz YWPFBKOHXDTLDK-QGZVFWFLSA-N 0 3 338.879 2.880 50 10 EFCAHN Cc1ccc(CN2CCN(Cc3ccccc3O)C[C@@H]2CCO)cc1 ZINC000020541193 212145662 /nfs/dbraw/zinc/14/56/62/212145662.db2.gz RDJXULXBRPKNQZ-FQEVSTJZSA-N 0 3 340.467 2.769 50 10 EFCAHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)cc2)N(C)C)cc1 ZINC000005097709 210389785 /nfs/dbraw/zinc/38/97/85/210389785.db2.gz MBCDZVTYTIPFGI-IBGZPJMESA-N 0 3 343.446 2.853 50 10 EFCAHN CCOc1cccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1[O-] ZINC000005673785 471515755 /nfs/dbraw/zinc/51/57/55/471515755.db2.gz TYUWVYIQAZRREG-UHFFFAOYSA-N 0 3 332.444 2.625 50 10 EFCAHN CC(C)C[N@@H+]1CCN(Cc2cc(Cl)ccc2[O-])C[C@@H]1CCO ZINC000023373146 212373194 /nfs/dbraw/zinc/37/31/94/212373194.db2.gz VSQRXVFKEZQJGQ-INIZCTEOSA-N 0 3 326.868 2.570 50 10 EFCAHN CC(C)C[N@H+]1CCN(Cc2cc(Cl)ccc2[O-])C[C@@H]1CCO ZINC000023373146 212373195 /nfs/dbraw/zinc/37/31/95/212373195.db2.gz VSQRXVFKEZQJGQ-INIZCTEOSA-N 0 3 326.868 2.570 50 10 EFCAHN OCC[C@@H]1CN(Cc2ccccc2O)CCN1Cc1ccc(F)cc1 ZINC000022852949 212328922 /nfs/dbraw/zinc/32/89/22/212328922.db2.gz VKYHILAJTLJRTQ-LJQANCHMSA-N 0 3 344.430 2.600 50 10 EFCAHN [O-]c1ccc(Cl)cc1CN1CC[N@H+](C2CCCC2)[C@H](CCO)C1 ZINC000020599285 212150736 /nfs/dbraw/zinc/15/07/36/212150736.db2.gz DVKDKYCNYAVQLI-QGZVFWFLSA-N 0 3 338.879 2.857 50 10 EFCAHN [O-]c1ccc(Cl)cc1CN1CC[N@@H+](C2CCCC2)[C@H](CCO)C1 ZINC000020599285 212150738 /nfs/dbraw/zinc/15/07/38/212150738.db2.gz DVKDKYCNYAVQLI-QGZVFWFLSA-N 0 3 338.879 2.857 50 10 EFCAHN CN(C)c1ccc([C@H](CNC(=O)NC(C)(C)C)N2CCCC2)cc1 ZINC000005098142 210390254 /nfs/dbraw/zinc/39/02/54/210390254.db2.gz ZYVYQSHISJPOSH-KRWDZBQOSA-N 0 3 332.492 2.987 50 10 EFCAHN COc1ccc(C([O-])=C[N+]#N)c([N+](=O)[O-])c1OCc1ccccc1 ZINC000004576578 544420728 /nfs/dbraw/zinc/42/07/28/544420728.db2.gz XNHXKIXWWOCFIN-UHFFFAOYSA-N 0 3 327.296 2.666 50 10 EFCAHN COc1cc(C[C@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC ZINC000002017274 277820559 /nfs/dbraw/zinc/82/05/59/277820559.db2.gz RGVPOXRFEPSFGH-CQSZACIVSA-N 0 3 345.395 2.553 50 10 investigational EFCAHN CN(C)c1ccc([C@@H](CNC(=O)NC(C)(C)C)N2CCCC2)cc1 ZINC000005098143 210389456 /nfs/dbraw/zinc/38/94/56/210389456.db2.gz ZYVYQSHISJPOSH-QGZVFWFLSA-N 0 3 332.492 2.987 50 10 EFCAHN CN1CCc2cc([C@H](CNC(=O)C3CC3)N3CCCCC3)ccc21 ZINC000013007717 471812708 /nfs/dbraw/zinc/81/27/08/471812708.db2.gz IEENEIKCSSLIGM-IBGZPJMESA-N 0 3 327.472 2.732 50 10 EFCAHN COc1cccc(CN2CCC[C@@H](C(=O)c3ccccn3)C2)c1O ZINC000065408258 472936875 /nfs/dbraw/zinc/93/68/75/472936875.db2.gz WJNDQCQPCJEAAM-CQSZACIVSA-N 0 3 326.396 2.891 50 10 EFCAHN [O-]c1ccccc1CN1CC[N@H+](CC2CCCCC2)[C@H](CCO)C1 ZINC000020541254 202049304 /nfs/dbraw/zinc/04/93/04/202049304.db2.gz HDERCHWRZADXIW-LJQANCHMSA-N 0 3 332.488 2.841 50 10 EFCAHN [O-]c1ccccc1CN1CC[N@@H+](CC2CCCCC2)[C@H](CCO)C1 ZINC000020541254 202049308 /nfs/dbraw/zinc/04/93/08/202049308.db2.gz HDERCHWRZADXIW-LJQANCHMSA-N 0 3 332.488 2.841 50 10 EFCAHN COc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1[O-] ZINC000005676840 201660077 /nfs/dbraw/zinc/66/00/77/201660077.db2.gz PHVJWTPDIDESGE-OAHLLOKOSA-N 0 3 346.471 2.871 50 10 EFCAHN CCCCN(C)C(=O)C1CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000006397447 471543312 /nfs/dbraw/zinc/54/33/12/471543312.db2.gz DNKQQCFHHHZEQJ-UHFFFAOYSA-N 0 3 334.460 2.871 50 10 EFCAHN COc1cc(Br)cc(C[N@H+](C)C2CCN(C)CC2)c1[O-] ZINC000016662812 1313536981 /nfs/dbraw/zinc/53/69/81/1313536981.db2.gz JQRYSSWQNAQMCA-UHFFFAOYSA-N 0 3 343.265 2.689 50 10 EFCAHN COc1cc(Br)cc(C[N@@H+](C)C2CCN(C)CC2)c1[O-] ZINC000016662812 1313536984 /nfs/dbraw/zinc/53/69/84/1313536984.db2.gz JQRYSSWQNAQMCA-UHFFFAOYSA-N 0 3 343.265 2.689 50 10 EFCAHN NC(=O)[C@@H](NC1CCN(c2ccc3c(c2)CCC3)CC1)c1ccccc1 ZINC001506404227 1405752888 /nfs/dbraw/zinc/75/28/88/1405752888.db2.gz YRZVIVXBCOYMRB-NRFANRHFSA-N 0 3 349.478 2.960 50 10 EFCAHN c1ccn2c(c1)nnc2CNC1CCN(c2ccc3c(c2)CCC3)CC1 ZINC001506426522 1405764214 /nfs/dbraw/zinc/76/42/14/1405764214.db2.gz HUFOWQXKWPFTAM-UHFFFAOYSA-N 0 3 347.466 2.977 50 10 EFCAHN CC(C)=CCN1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1CCO ZINC000020515911 212142331 /nfs/dbraw/zinc/14/23/31/212142331.db2.gz YWPFBKOHXDTLDK-KRWDZBQOSA-N 0 3 338.879 2.880 50 10 EFCAHN CN1CCc2cc([C@@H](CNC(=O)c3ccco3)N3CCCC3)ccc21 ZINC000008963309 211024287 /nfs/dbraw/zinc/02/42/87/211024287.db2.gz NQSIWECAWPYDBO-GOSISDBHSA-N 0 3 339.439 2.839 50 10 EFCAHN COc1ccc(CNCc2ccc(F)cc2)cc1CN1CCOCC1 ZINC000013736098 471842293 /nfs/dbraw/zinc/84/22/93/471842293.db2.gz UCKHRJJLBYYWOZ-UHFFFAOYSA-N 0 3 344.430 2.956 50 10 EFCAHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c1 ZINC000065504828 472960214 /nfs/dbraw/zinc/96/02/14/472960214.db2.gz OLYDSECUFCZBMF-FUHWJXTLSA-N 0 3 341.407 2.780 50 10 EFCAHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c1 ZINC000065504828 472960223 /nfs/dbraw/zinc/96/02/23/472960223.db2.gz OLYDSECUFCZBMF-FUHWJXTLSA-N 0 3 341.407 2.780 50 10 EFCAHN Cc1nc(C[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)cc(=O)[n-]1 ZINC001506400698 1405751077 /nfs/dbraw/zinc/75/10/77/1405751077.db2.gz XHXOXIPEIRBUHN-UHFFFAOYSA-N 0 3 338.455 2.738 50 10 EFCAHN O=C1N=C(N2CCNCC2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000056979761 214398480 /nfs/dbraw/zinc/39/84/80/214398480.db2.gz GAJQRNQNXCITNC-GHXNOFRVSA-N 0 3 342.251 2.869 50 10 EFCAHN OCC[C@H]1CN(Cc2ccccc2O)CCN1Cc1ccc(F)cc1 ZINC000023144494 212355521 /nfs/dbraw/zinc/35/55/21/212355521.db2.gz VKYHILAJTLJRTQ-IBGZPJMESA-N 0 3 344.430 2.600 50 10 EFCAHN [O-]c1ccc(Cl)cc1CN1CC[N@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000020599286 212151290 /nfs/dbraw/zinc/15/12/90/212151290.db2.gz DVKDKYCNYAVQLI-KRWDZBQOSA-N 0 3 338.879 2.857 50 10 EFCAHN [O-]c1ccc(Cl)cc1CN1CC[N@@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000020599286 212151291 /nfs/dbraw/zinc/15/12/91/212151291.db2.gz DVKDKYCNYAVQLI-KRWDZBQOSA-N 0 3 338.879 2.857 50 10 EFCAHN CN1CCN([C@H](c2ccncc2)c2ccc3cccnc3c2O)CC1 ZINC000020507241 212141590 /nfs/dbraw/zinc/14/15/90/212141590.db2.gz NQXCTRCPZLXMMO-LJQANCHMSA-N 0 3 334.423 2.672 50 10 EFCAHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2)N(C)C)cc1 ZINC000005097725 210390012 /nfs/dbraw/zinc/39/00/12/210390012.db2.gz MVYWYFJZNVPXAP-GOSISDBHSA-N 0 3 329.419 2.924 50 10 EFCAHN CN1CCN([C@@H](c2ccncc2)c2ccc3cccnc3c2O)CC1 ZINC000020507239 471991316 /nfs/dbraw/zinc/99/13/16/471991316.db2.gz NQXCTRCPZLXMMO-IBGZPJMESA-N 0 3 334.423 2.672 50 10 EFCAHN COc1cccc(CN2CCC[C@H](C(=O)c3ccccn3)C2)c1O ZINC000065408256 472937135 /nfs/dbraw/zinc/93/71/35/472937135.db2.gz WJNDQCQPCJEAAM-AWEZNQCLSA-N 0 3 326.396 2.891 50 10 EFCAHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2)N(C)C)cc1 ZINC000005097726 471486437 /nfs/dbraw/zinc/48/64/37/471486437.db2.gz MVYWYFJZNVPXAP-SFHVURJKSA-N 0 3 329.419 2.924 50 10 EFCAHN Cc1ccc(CN2CCN(Cc3ccccc3O)C[C@H]2CCO)cc1 ZINC000104525033 472675441 /nfs/dbraw/zinc/67/54/41/472675441.db2.gz RDJXULXBRPKNQZ-HXUWFJFHSA-N 0 3 340.467 2.769 50 10 EFCAHN CN(Cc1ccccc1O)C(=O)[C@H]1CCCN(Cc2ccco2)C1 ZINC000055074649 214269766 /nfs/dbraw/zinc/26/97/66/214269766.db2.gz YVWAOAFGSFNGEB-INIZCTEOSA-N 0 3 328.412 2.856 50 10 EFCAHN COc1cccc([O-])c1CN1CC[N@@H+](C2CCCCC2)[C@H](CCO)C1 ZINC000022852919 212329885 /nfs/dbraw/zinc/32/98/85/212329885.db2.gz VIQNCOFUJLZDGR-QGZVFWFLSA-N 0 3 348.487 2.602 50 10 EFCAHN COc1cccc([O-])c1CN1CC[N@H+](C2CCCCC2)[C@H](CCO)C1 ZINC000022852919 212329888 /nfs/dbraw/zinc/32/98/88/212329888.db2.gz VIQNCOFUJLZDGR-QGZVFWFLSA-N 0 3 348.487 2.602 50 10 EFCAHN CN(C)c1ccc([C@@H](CNC(=O)NCc2ccccc2)N(C)C)cc1 ZINC000022418296 212296785 /nfs/dbraw/zinc/29/67/85/212296785.db2.gz FSNSAXINAVVTIC-LJQANCHMSA-N 0 3 340.471 2.855 50 10 EFCAHN CN1CCN([C@H](c2cccnc2)c2ccc3cccnc3c2O)CC1 ZINC000020507281 212141295 /nfs/dbraw/zinc/14/12/95/212141295.db2.gz HSRHOKLBADNCMO-LJQANCHMSA-N 0 3 334.423 2.672 50 10 EFCAHN CCOc1ccc(CN[C@@H]2COc3c(cccc3OC)C2)cc1CO ZINC000015064634 471887704 /nfs/dbraw/zinc/88/77/04/471887704.db2.gz KEMGOCGHPNYIDG-KRWDZBQOSA-N 0 3 343.423 2.680 50 10 EFCAHN OCC[C@@H]1CN(Cc2ccccc2O)CCN1Cc1ccccc1F ZINC000076949861 472429628 /nfs/dbraw/zinc/42/96/28/472429628.db2.gz LSJMBALNVQMUHY-GOSISDBHSA-N 0 3 344.430 2.600 50 10 EFCAHN CCOc1ccc(CNCc2nc3ccc(F)cc3[nH]2)cc1CO ZINC000952869838 1284890218 /nfs/dbraw/zinc/89/02/18/1284890218.db2.gz MSOSBPPUPMIFRA-UHFFFAOYSA-N 0 3 329.375 2.883 50 10 EFCAHN CC(C)CC[N@@H+]1CCN(Cc2cc(Cl)ccc2[O-])C[C@H]1CCO ZINC000104406156 219385504 /nfs/dbraw/zinc/38/55/04/219385504.db2.gz RXRGQVIQGJANOT-QGZVFWFLSA-N 0 3 340.895 2.960 50 10 EFCAHN CC(C)CC[N@H+]1CCN(Cc2cc(Cl)ccc2[O-])C[C@H]1CCO ZINC000104406156 219385505 /nfs/dbraw/zinc/38/55/05/219385505.db2.gz RXRGQVIQGJANOT-QGZVFWFLSA-N 0 3 340.895 2.960 50 10 EFCAHN CCOc1cccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)c1O ZINC000039387761 213235860 /nfs/dbraw/zinc/23/58/60/213235860.db2.gz ZVZOLDDUINORCW-GOSISDBHSA-N 0 3 348.487 2.602 50 10 EFCAHN COc1ccc(N2CCN(C(=O)[C@H](C)N3CCCC3)CC2(C)C)cc1 ZINC000091725768 218054457 /nfs/dbraw/zinc/05/44/57/218054457.db2.gz OAKFWXPZJFABTH-INIZCTEOSA-N 0 3 345.487 2.607 50 10 EFCAHN COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000005097766 278007996 /nfs/dbraw/zinc/00/79/96/278007996.db2.gz DTVRAWWGZAQULT-LJQANCHMSA-N 0 3 341.455 2.794 50 10 biogenic EFCAHN COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC ZINC000000000802 471318072 /nfs/dbraw/zinc/31/80/72/471318072.db2.gz RGVPOXRFEPSFGH-AWEZNQCLSA-N 0 3 345.395 2.553 50 10 investigational EFCAHN COc1cccc(C[NH+]2CCC(C(=O)NCCC(C)C)CC2)c1[O-] ZINC000000299336 471344666 /nfs/dbraw/zinc/34/46/66/471344666.db2.gz PLBRFONESMBHTD-UHFFFAOYSA-N 0 3 334.460 2.775 50 10 EFCAHN CCOc1ccc(CN[C@H]2COc3c(cccc3OC)C2)cc1CO ZINC000015064635 471888002 /nfs/dbraw/zinc/88/80/02/471888002.db2.gz KEMGOCGHPNYIDG-QGZVFWFLSA-N 0 3 343.423 2.680 50 10 EFCAHN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000055074646 214269642 /nfs/dbraw/zinc/26/96/42/214269642.db2.gz YVWAOAFGSFNGEB-MRXNPFEDSA-N 0 3 328.412 2.856 50 10 EFCAHN O=C(NCCc1ccccc1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000004678934 210244167 /nfs/dbraw/zinc/24/41/67/210244167.db2.gz GAKKYHKKULWQJK-UHFFFAOYSA-N 0 3 338.451 2.963 50 10 EFCAHN CN1CCc2cc([C@H](CNC(=O)c3ccco3)N3CCCC3)ccc21 ZINC000008963310 211023881 /nfs/dbraw/zinc/02/38/81/211023881.db2.gz NQSIWECAWPYDBO-SFHVURJKSA-N 0 3 339.439 2.839 50 10 EFCAHN CN1CCc2cc([C@@H](CNC(=O)C3CC3)N3CCCCC3)ccc21 ZINC000013007715 471813020 /nfs/dbraw/zinc/81/30/20/471813020.db2.gz IEENEIKCSSLIGM-LJQANCHMSA-N 0 3 327.472 2.732 50 10 EFCAHN CC(C)CNCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000009575591 471718369 /nfs/dbraw/zinc/71/83/69/471718369.db2.gz BNPILZNLIXCHIH-UHFFFAOYSA-N 0 3 336.391 2.646 50 10 EFCAHN C[NH+](C)Cc1cc(-c2nccn2CC2(CO)CCCC2)ccc1[O-] ZINC000072408812 216199963 /nfs/dbraw/zinc/19/99/63/216199963.db2.gz ZAZLRJCXEUOOAC-UHFFFAOYSA-N 0 3 329.444 2.870 50 10 EFCAHN COc1cccc([O-])c1CN1CC[N@@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000023130554 212351936 /nfs/dbraw/zinc/35/19/36/212351936.db2.gz VIQNCOFUJLZDGR-KRWDZBQOSA-N 0 3 348.487 2.602 50 10 EFCAHN COc1cccc([O-])c1CN1CC[N@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000023130554 212351938 /nfs/dbraw/zinc/35/19/38/212351938.db2.gz VIQNCOFUJLZDGR-KRWDZBQOSA-N 0 3 348.487 2.602 50 10 EFCAHN CCOc1cccc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c1O ZINC000020455145 212131655 /nfs/dbraw/zinc/13/16/55/212131655.db2.gz ZVZOLDDUINORCW-SFHVURJKSA-N 0 3 348.487 2.602 50 10 EFCAHN COc1ccc(CNCc2cccs2)cc1CN1CCOCC1 ZINC000013736044 471842473 /nfs/dbraw/zinc/84/24/73/471842473.db2.gz HHUHBZQRBPXIHZ-UHFFFAOYSA-N 0 3 332.469 2.879 50 10 EFCAHN CN(C)[C@@H](CNC(=O)NC(C)(C)C)c1ccc2c(c1)CCCN2C ZINC000035597165 471996929 /nfs/dbraw/zinc/99/69/29/471996929.db2.gz QTEXHLWDKQBNLN-KRWDZBQOSA-N 0 3 332.492 2.769 50 10 EFCAHN COCc1cc(CNCc2ccc3[nH]c(=O)[nH]c3c2)ccc1OC ZINC000952974083 1284948008 /nfs/dbraw/zinc/94/80/08/1284948008.db2.gz IUHXFZHGZIYTIR-UHFFFAOYSA-N 0 3 327.384 2.713 50 10 EFCAHN COC(=O)Cc1cc(C2CC[NH+](Cc3cc(C)ccc3[O-])CC2)n[nH]1 ZINC000067588177 215165009 /nfs/dbraw/zinc/16/50/09/215165009.db2.gz GPMRMBPMNXCAFV-UHFFFAOYSA-N 0 3 343.427 2.519 50 10 EFCAHN [O-]c1ccccc1CN1CC[N@H+](CC2CCCCC2)[C@@H](CCO)C1 ZINC000020541255 212146259 /nfs/dbraw/zinc/14/62/59/212146259.db2.gz HDERCHWRZADXIW-IBGZPJMESA-N 0 3 332.488 2.841 50 10 EFCAHN [O-]c1ccccc1CN1CC[N@@H+](CC2CCCCC2)[C@@H](CCO)C1 ZINC000020541255 212146262 /nfs/dbraw/zinc/14/62/62/212146262.db2.gz HDERCHWRZADXIW-IBGZPJMESA-N 0 3 332.488 2.841 50 10 EFCAHN COc1cccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1[O-] ZINC000005045792 210373567 /nfs/dbraw/zinc/37/35/67/210373567.db2.gz FFQZJACGPAMTHX-UHFFFAOYSA-N 0 3 346.471 2.871 50 10 EFCAHN CN(C)[C@H](CNC(=O)NC(C)(C)C)c1ccc2c(c1)CCCN2C ZINC000035597166 471996859 /nfs/dbraw/zinc/99/68/59/471996859.db2.gz QTEXHLWDKQBNLN-QGZVFWFLSA-N 0 3 332.492 2.769 50 10 EFCAHN CC(C)C[N@@H+]1CCN(Cc2cc(Cl)ccc2[O-])C[C@H]1CCO ZINC000058494587 472575530 /nfs/dbraw/zinc/57/55/30/472575530.db2.gz VSQRXVFKEZQJGQ-MRXNPFEDSA-N 0 3 326.868 2.570 50 10 EFCAHN CC(C)C[N@H+]1CCN(Cc2cc(Cl)ccc2[O-])C[C@H]1CCO ZINC000058494587 472575534 /nfs/dbraw/zinc/57/55/34/472575534.db2.gz VSQRXVFKEZQJGQ-MRXNPFEDSA-N 0 3 326.868 2.570 50 10 EFCAHN CN(C)c1ccc([C@H](CNC(=O)NCc2ccccc2)N(C)C)cc1 ZINC000022418294 212296807 /nfs/dbraw/zinc/29/68/07/212296807.db2.gz FSNSAXINAVVTIC-IBGZPJMESA-N 0 3 340.471 2.855 50 10 EFCAHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2)N(C)C)cc1 ZINC000005097708 210389856 /nfs/dbraw/zinc/38/98/56/210389856.db2.gz MBCDZVTYTIPFGI-LJQANCHMSA-N 0 3 343.446 2.853 50 10 EFCAHN COc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1[O-] ZINC000005677429 471516347 /nfs/dbraw/zinc/51/63/47/471516347.db2.gz PHVJWTPDIDESGE-HNNXBMFYSA-N 0 3 346.471 2.871 50 10 EFCAHN CN1CCN([C@@H](c2cccnc2)c2ccc3cccnc3c2O)CC1 ZINC000020507279 471991540 /nfs/dbraw/zinc/99/15/40/471991540.db2.gz HSRHOKLBADNCMO-IBGZPJMESA-N 0 3 334.423 2.672 50 10 EFCAHN OCC[C@H]1CN(Cc2ccccc2O)CCN1Cc1ccccc1F ZINC000107100415 472927248 /nfs/dbraw/zinc/92/72/48/472927248.db2.gz LSJMBALNVQMUHY-SFHVURJKSA-N 0 3 344.430 2.600 50 10 EFCAHN