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)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000100177571 219093743 /nfs/dbraw/zinc/09/37/43/219093743.db2.gz JGEKEQILVNKWPR-NSHGMRRFSA-N 2 1 343.515 3.062 40 0 EGABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1ccncc1)Cc1ccccc1O2 ZINC000019591994 202014764 /nfs/dbraw/zinc/01/47/64/202014764.db2.gz FDPHQFSHVSBTAN-UHFFFAOYSA-N 2 1 337.467 3.377 40 0 EGABMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccccn2)CC1 ZINC000078553355 202395889 /nfs/dbraw/zinc/39/58/89/202395889.db2.gz RREDJWFVTHHMPD-MRXNPFEDSA-N 2 1 342.462 3.213 40 0 EGABMP Cc1[nH+]ccn1-c1cccc(C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000072379070 203209972 /nfs/dbraw/zinc/20/99/72/203209972.db2.gz XNQCXJNTZJSNKU-UHFFFAOYSA-N 2 1 333.439 3.350 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079415920 454412141 /nfs/dbraw/zinc/41/21/41/454412141.db2.gz NNFKSZFXRBHDER-UXHICEINSA-N 2 1 343.515 3.015 40 0 EGABMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000253370822 455836336 /nfs/dbraw/zinc/83/63/36/455836336.db2.gz WSVZFJVBUTWITC-QRVBRYPASA-N 2 1 349.563 3.410 40 0 EGABMP COC[C@@H]1C[N@@H+](Cc2csc(C)n2)CC12CC[NH+](C1CCC1)CC2 ZINC000585102738 459824377 /nfs/dbraw/zinc/82/43/77/459824377.db2.gz CPAUKTVCCDWDCL-INIZCTEOSA-N 2 1 349.544 3.164 40 0 EGABMP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252487481 201183411 /nfs/dbraw/zinc/18/34/11/201183411.db2.gz YKNYBBXOYYPXBJ-ROUUACIJSA-N 2 1 330.472 3.358 40 0 EGABMP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252487481 201183415 /nfs/dbraw/zinc/18/34/15/201183415.db2.gz YKNYBBXOYYPXBJ-ROUUACIJSA-N 2 1 330.472 3.358 40 0 EGABMP COc1ccccc1[C@H](O)C(C[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000006485133 201682241 /nfs/dbraw/zinc/68/22/41/201682241.db2.gz MECOWGVOIJNFCT-OAQYLSRUSA-N 2 1 346.515 3.317 40 0 EGABMP Cc1cc(N2CCC([NH2+][C@H]3CCc4ccccc4C3)CC2)nc(C)[nH+]1 ZINC000095423618 218366320 /nfs/dbraw/zinc/36/63/20/218366320.db2.gz FNXJOYSBKJOHNJ-FQEVSTJZSA-N 2 1 336.483 3.209 40 0 EGABMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1N(C)C ZINC000096477961 278335849 /nfs/dbraw/zinc/33/58/49/278335849.db2.gz LKZOPQAXVQNFDE-CVEARBPZSA-N 2 1 349.494 3.043 40 0 EGABMP Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000019287989 453655082 /nfs/dbraw/zinc/65/50/82/453655082.db2.gz SYDZERDELLDMTO-UHFFFAOYSA-N 2 1 343.471 3.006 40 0 EGABMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)o1 ZINC000096048951 454271370 /nfs/dbraw/zinc/27/13/70/454271370.db2.gz PPLOTFIRAADNNL-UHFFFAOYSA-N 2 1 340.467 3.455 40 0 EGABMP Cc1nc(COC[C@@H]2CN(C3CCCC3)Cc3cncn32)cs1 ZINC000248019197 455670527 /nfs/dbraw/zinc/67/05/27/455670527.db2.gz IMLUVXACNQAGEH-KRWDZBQOSA-N 2 1 332.473 3.164 40 0 EGABMP FC(F)(F)C1CC[NH+](C2CC(Nc3[nH+]cnc4[nH]ccc43)C2)CC1 ZINC000376013132 458162595 /nfs/dbraw/zinc/16/25/95/458162595.db2.gz GXOHFELROXFKEP-UHFFFAOYSA-N 2 1 339.365 3.175 40 0 EGABMP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)ccc1OC1CCCC1 ZINC000057811514 454147863 /nfs/dbraw/zinc/14/78/63/454147863.db2.gz HMUHTKQPTVOTGX-QGZVFWFLSA-N 2 1 332.488 3.400 40 0 EGABMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)ccc1OC1CCCC1 ZINC000057811514 454147867 /nfs/dbraw/zinc/14/78/67/454147867.db2.gz HMUHTKQPTVOTGX-QGZVFWFLSA-N 2 1 332.488 3.400 40 0 EGABMP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)ccc1OC1CCCC1 ZINC000057811514 454147868 /nfs/dbraw/zinc/14/78/68/454147868.db2.gz HMUHTKQPTVOTGX-QGZVFWFLSA-N 2 1 332.488 3.400 40 0 EGABMP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)ccc1OC1CCCC1 ZINC000057811514 454147870 /nfs/dbraw/zinc/14/78/70/454147870.db2.gz HMUHTKQPTVOTGX-QGZVFWFLSA-N 2 1 332.488 3.400 40 0 EGABMP Cc1nc(C[NH+]2CCC3(CC2)C[N@H+](C)Cc2ccccc23)cs1 ZINC000096242373 454311269 /nfs/dbraw/zinc/31/12/69/454311269.db2.gz FOVKPVIUQQSTBC-UHFFFAOYSA-N 2 1 327.497 3.431 40 0 EGABMP Cc1nc(C[NH+]2CCC3(CC2)C[N@@H+](C)Cc2ccccc23)cs1 ZINC000096242373 454311272 /nfs/dbraw/zinc/31/12/72/454311272.db2.gz FOVKPVIUQQSTBC-UHFFFAOYSA-N 2 1 327.497 3.431 40 0 EGABMP FC(F)(F)CO[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484344 454366093 /nfs/dbraw/zinc/36/60/93/454366093.db2.gz CRVXSOWJFNCXPI-KLHDSHLOSA-N 2 1 334.426 3.341 40 0 EGABMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc(C)c1O ZINC000252536800 455820807 /nfs/dbraw/zinc/82/08/07/455820807.db2.gz JPDFASFMXVBQCQ-DFQSSKMNSA-N 2 1 346.515 3.031 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C(C)C)CC1 ZINC000100177588 219092961 /nfs/dbraw/zinc/09/29/61/219092961.db2.gz KDBUBLSKJNCTJU-ZCNNSNEGSA-N 2 1 345.531 3.308 40 0 EGABMP C[N@H+]1CCC[C@@H](c2ncc3c(n2)CC[NH+](CC2CCCCC2)C3)C1 ZINC000019588662 202012380 /nfs/dbraw/zinc/01/23/80/202012380.db2.gz ZSHSPVLIZXLEBA-QGZVFWFLSA-N 2 1 328.504 3.224 40 0 EGABMP C[NH+]1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](CC2CCCCC2)C3)C1 ZINC000019588662 202012382 /nfs/dbraw/zinc/01/23/82/202012382.db2.gz ZSHSPVLIZXLEBA-QGZVFWFLSA-N 2 1 328.504 3.224 40 0 EGABMP C[NH+]1CCC[C@@H](c2ncc3c(n2)CC[N@H+](CC2CCCCC2)C3)C1 ZINC000019588662 202012384 /nfs/dbraw/zinc/01/23/84/202012384.db2.gz ZSHSPVLIZXLEBA-QGZVFWFLSA-N 2 1 328.504 3.224 40 0 EGABMP C[N@H+]1CCC[C@H](c2ncc3c(n2)CC[NH+](CC2CCCCC2)C3)C1 ZINC000019588664 202013846 /nfs/dbraw/zinc/01/38/46/202013846.db2.gz ZSHSPVLIZXLEBA-KRWDZBQOSA-N 2 1 328.504 3.224 40 0 EGABMP C[NH+]1CCC[C@H](c2ncc3c(n2)CC[N@@H+](CC2CCCCC2)C3)C1 ZINC000019588664 202013850 /nfs/dbraw/zinc/01/38/50/202013850.db2.gz ZSHSPVLIZXLEBA-KRWDZBQOSA-N 2 1 328.504 3.224 40 0 EGABMP C[NH+]1CCC[C@H](c2ncc3c(n2)CC[N@H+](CC2CCCCC2)C3)C1 ZINC000019588664 202013854 /nfs/dbraw/zinc/01/38/54/202013854.db2.gz ZSHSPVLIZXLEBA-KRWDZBQOSA-N 2 1 328.504 3.224 40 0 EGABMP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2CCOc2ccccc2)n1 ZINC000257202820 244123923 /nfs/dbraw/zinc/12/39/23/244123923.db2.gz ANOPCTOSGDBELV-LJQANCHMSA-N 2 1 340.471 3.063 40 0 EGABMP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2CCOc2ccccc2)n1 ZINC000257202820 244123927 /nfs/dbraw/zinc/12/39/27/244123927.db2.gz ANOPCTOSGDBELV-LJQANCHMSA-N 2 1 340.471 3.063 40 0 EGABMP Cc1cc(N(C)C)cc([C@H]2CC[N@@H+](Cc3nccn3C(C)C)C2)[nH+]1 ZINC000257230893 244213601 /nfs/dbraw/zinc/21/36/01/244213601.db2.gz GEKROWIXOSFKPU-INIZCTEOSA-N 2 1 327.476 3.223 40 0 EGABMP Cc1cc(N(C)C)cc([C@H]2CC[N@H+](Cc3nccn3C(C)C)C2)[nH+]1 ZINC000257230893 244213605 /nfs/dbraw/zinc/21/36/05/244213605.db2.gz GEKROWIXOSFKPU-INIZCTEOSA-N 2 1 327.476 3.223 40 0 EGABMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc4c(c3)OCO4)CC2)[nH+]c1 ZINC000095423128 218365272 /nfs/dbraw/zinc/36/52/72/218365272.db2.gz NYDQPQHHXATYNR-HNNXBMFYSA-N 2 1 339.439 3.438 40 0 EGABMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1N(C)C ZINC000096477963 289939385 /nfs/dbraw/zinc/93/93/85/289939385.db2.gz LKZOPQAXVQNFDE-JKSUJKDBSA-N 2 1 349.494 3.043 40 0 EGABMP Cc1cccc(C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)n1 ZINC000096079731 454279692 /nfs/dbraw/zinc/27/96/92/454279692.db2.gz QURLTQGQIZPDBD-IBGZPJMESA-N 2 1 337.467 3.468 40 0 EGABMP C[NH+](C)[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096205891 454303874 /nfs/dbraw/zinc/30/38/74/454303874.db2.gz WZBKJHDAOLESMV-RHSMWYFYSA-N 2 1 326.843 3.164 40 0 EGABMP C[NH+](C)[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096205891 454303881 /nfs/dbraw/zinc/30/38/81/454303881.db2.gz WZBKJHDAOLESMV-RHSMWYFYSA-N 2 1 326.843 3.164 40 0 EGABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000247849487 455650251 /nfs/dbraw/zinc/65/02/51/455650251.db2.gz OBDSXHLQKCXSKS-SFHVURJKSA-N 2 1 344.455 3.233 40 0 EGABMP CC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000250119958 455785818 /nfs/dbraw/zinc/78/58/18/455785818.db2.gz VCNPZRXRDLDBEX-RMFNQSEZSA-N 2 1 349.544 3.168 40 0 EGABMP CC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000250119958 455785822 /nfs/dbraw/zinc/78/58/22/455785822.db2.gz VCNPZRXRDLDBEX-RMFNQSEZSA-N 2 1 349.544 3.168 40 0 EGABMP COc1cccc(C[N@H+]2CCOC[C@@H](CC[NH+]3CCCC3)[C@@H]2C)c1 ZINC000306141869 456566954 /nfs/dbraw/zinc/56/69/54/456566954.db2.gz WITQKHKUTMBDLH-PKOBYXMFSA-N 2 1 332.488 3.018 40 0 EGABMP C[N@@H+](Cc1ccncc1)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019586603 202012405 /nfs/dbraw/zinc/01/24/05/202012405.db2.gz DAGQBZNAPKMQKY-UHFFFAOYSA-N 2 1 337.467 3.377 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404788 202434084 /nfs/dbraw/zinc/43/40/84/202434084.db2.gz OMSGEDAVEHNOTB-UXHICEINSA-N 2 1 343.515 3.015 40 0 EGABMP C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[NH2+]CC[NH3+] ZINC000118918953 221204200 /nfs/dbraw/zinc/20/42/00/221204200.db2.gz UCLYPBSPTCWPOQ-YRQPXTNQSA-N 2 1 334.548 3.307 40 0 EGABMP COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1cccs1 ZINC000007523886 453083239 /nfs/dbraw/zinc/08/32/39/453083239.db2.gz JUNHUDYRPPKAKX-UHFFFAOYSA-N 2 1 334.485 3.377 40 0 EGABMP C[N@@H+](Cc1cccnc1)C1CC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096063161 454278892 /nfs/dbraw/zinc/27/88/92/454278892.db2.gz KFLILNQANSUORW-UHFFFAOYSA-N 2 1 336.483 3.353 40 0 EGABMP Cc1cccc(C[NH+]2CCC3(C=C[C@@H]([NH+]4CCOCC4)CC3)CC2)n1 ZINC000096240269 454312106 /nfs/dbraw/zinc/31/21/06/454312106.db2.gz VWQSVLRIYQVYLY-HXUWFJFHSA-N 2 1 341.499 3.023 40 0 EGABMP FC(F)(F)CO[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245289562 455281593 /nfs/dbraw/zinc/28/15/93/455281593.db2.gz CRVXSOWJFNCXPI-FXUDXRNXSA-N 2 1 334.426 3.341 40 0 EGABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000585102786 459824284 /nfs/dbraw/zinc/82/42/84/459824284.db2.gz FSBDZKLKNYHDMM-KRWDZBQOSA-N 2 1 344.455 3.233 40 0 EGABMP C[C@@H]1C[C@H]([NH+](C)Cc2cc[nH]c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000585141367 459830146 /nfs/dbraw/zinc/83/01/46/459830146.db2.gz UNSFVKAQYZODTA-VQIMIIECSA-N 2 1 325.456 3.272 40 0 EGABMP C[C@@H]1C[C@H]([NH+](C)Cc2cc[nH]c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000585141367 459830148 /nfs/dbraw/zinc/83/01/48/459830148.db2.gz UNSFVKAQYZODTA-VQIMIIECSA-N 2 1 325.456 3.272 40 0 EGABMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc[nH]c(=O)c2)CC[NH+]1Cc1ccccc1 ZINC000585141367 459830151 /nfs/dbraw/zinc/83/01/51/459830151.db2.gz UNSFVKAQYZODTA-VQIMIIECSA-N 2 1 325.456 3.272 40 0 EGABMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc[nH]c(=O)c2)CC[NH+]1Cc1ccccc1 ZINC000585141367 459830154 /nfs/dbraw/zinc/83/01/54/459830154.db2.gz UNSFVKAQYZODTA-VQIMIIECSA-N 2 1 325.456 3.272 40 0 EGABMP CC(C)[NH+]1CCC(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CC1 ZINC000330032477 201362632 /nfs/dbraw/zinc/36/26/32/201362632.db2.gz NWCZNRHJGOWMGY-UHFFFAOYSA-N 2 1 337.895 3.461 40 0 EGABMP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](CC(C)(C)C)CC2)cs1 ZINC000225421193 456081031 /nfs/dbraw/zinc/08/10/31/456081031.db2.gz KGCQRGUOYOFXQE-UHFFFAOYSA-N 2 1 339.549 3.314 40 0 biogenic,in-vitro EGABMP C[N@@H+](Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1)Cc1ccncc1 ZINC000072394696 454293858 /nfs/dbraw/zinc/29/38/58/454293858.db2.gz FRZRYAYPHXTSRJ-UHFFFAOYSA-N 2 1 335.455 3.057 40 0 EGABMP C[C@H]1C[C@H]([NH+](C)Cc2cc[nH]c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000585141366 459829660 /nfs/dbraw/zinc/82/96/60/459829660.db2.gz UNSFVKAQYZODTA-QFBILLFUSA-N 2 1 325.456 3.272 40 0 EGABMP C[C@H]1C[C@H]([NH+](C)Cc2cc[nH]c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000585141366 459829664 /nfs/dbraw/zinc/82/96/64/459829664.db2.gz UNSFVKAQYZODTA-QFBILLFUSA-N 2 1 325.456 3.272 40 0 EGABMP C[C@H]1C[C@H]([N@H+](C)Cc2cc[nH]c(=O)c2)CC[NH+]1Cc1ccccc1 ZINC000585141366 459829668 /nfs/dbraw/zinc/82/96/68/459829668.db2.gz UNSFVKAQYZODTA-QFBILLFUSA-N 2 1 325.456 3.272 40 0 EGABMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc[nH]c(=O)c2)CC[NH+]1Cc1ccccc1 ZINC000585141366 459829672 /nfs/dbraw/zinc/82/96/72/459829672.db2.gz UNSFVKAQYZODTA-QFBILLFUSA-N 2 1 325.456 3.272 40 0 EGABMP Cc1cccc(NC2CC[NH+](C[C@H](O)c3cccc(F)c3)CC2)[nH+]1 ZINC000077316498 202392221 /nfs/dbraw/zinc/39/22/21/202392221.db2.gz ZWQNRZHMVIMGQY-SFHVURJKSA-N 2 1 329.419 3.139 40 0 EGABMP CC1(C)Cc2occc2[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000096477955 276152182 /nfs/dbraw/zinc/15/21/82/276152182.db2.gz FBLWURCRERIRCJ-CRAIPNDOSA-N 2 1 332.488 3.384 40 0 EGABMP c1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)co1 ZINC000096048948 454271891 /nfs/dbraw/zinc/27/18/91/454271891.db2.gz XJHCBZDIYUSRMH-UHFFFAOYSA-N 2 1 326.440 3.147 40 0 EGABMP Cc1noc(C)c1C[NH+]1CCC2(C[C@H](COCC3CC3)[N@@H+](C)C2)CC1 ZINC000096215279 454305986 /nfs/dbraw/zinc/30/59/86/454305986.db2.gz JAVWBJCJEBBLSH-GOSISDBHSA-N 2 1 347.503 3.004 40 0 EGABMP CC(C)[N@@H+](C)C[C@@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)CO1 ZINC000096224942 454308477 /nfs/dbraw/zinc/30/84/77/454308477.db2.gz VVFUYQOBPSHTAB-IBGZPJMESA-N 2 1 331.504 3.183 40 0 EGABMP Cc1cccc(C[NH+]2CCC3(C=C[C@H]([NH+]4CCOCC4)CC3)CC2)n1 ZINC000096240270 454311540 /nfs/dbraw/zinc/31/15/40/454311540.db2.gz VWQSVLRIYQVYLY-FQEVSTJZSA-N 2 1 341.499 3.023 40 0 EGABMP Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@@H](Cn2cc[nH+]c2C)C1 ZINC000019659013 202014671 /nfs/dbraw/zinc/01/46/71/202014671.db2.gz UYJOLYAYVHWBQF-GOSISDBHSA-N 2 1 337.471 3.368 40 0 EGABMP Cc1nc2cc(C)ccn2c1C[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2C)C1 ZINC000019659013 202014675 /nfs/dbraw/zinc/01/46/75/202014675.db2.gz UYJOLYAYVHWBQF-GOSISDBHSA-N 2 1 337.471 3.368 40 0 EGABMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccc(F)c2)CC3)cn1 ZINC000096062885 454277818 /nfs/dbraw/zinc/27/78/18/454277818.db2.gz ZEYKESJYUFJPPS-UHFFFAOYSA-N 2 1 342.462 3.047 40 0 EGABMP COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C[NH+](C)C4CC4)[C@H]3C2)cn1 ZINC000096249010 454311957 /nfs/dbraw/zinc/31/19/57/454311957.db2.gz MFPXOTJYTBFOTN-YQVWRLOYSA-N 2 1 329.488 3.033 40 0 EGABMP COc1ccc(C[NH+]2C[C@H]3CCC[C@@H](C[N@H+](C)C4CC4)[C@H]3C2)cn1 ZINC000096249010 454311959 /nfs/dbraw/zinc/31/19/59/454311959.db2.gz MFPXOTJYTBFOTN-YQVWRLOYSA-N 2 1 329.488 3.033 40 0 EGABMP COc1ccc(C[NH+]2C[C@H]3CCC[C@@H](C[N@@H+](C)C4CC4)[C@H]3C2)cn1 ZINC000096249010 454311960 /nfs/dbraw/zinc/31/19/60/454311960.db2.gz MFPXOTJYTBFOTN-YQVWRLOYSA-N 2 1 329.488 3.033 40 0 EGABMP C[C@@H](O)[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000219773655 456036708 /nfs/dbraw/zinc/03/67/08/456036708.db2.gz VYLVOHNDVSEGOP-CIQXWFTPSA-N 2 1 336.479 3.220 40 0 EGABMP CCOc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cc1 ZINC000596684515 459728050 /nfs/dbraw/zinc/72/80/50/459728050.db2.gz SOKAVLAGOWESPR-GOSISDBHSA-N 2 1 340.471 3.251 40 0 EGABMP C[C@H](C[N@H+]1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1)c1ccccc1 ZINC000019456387 212029753 /nfs/dbraw/zinc/02/97/53/212029753.db2.gz QFPMVKDOFNKWCF-UZLBHIALSA-N 2 1 336.483 3.453 40 0 EGABMP CC[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1CCOC1)Cc1cc(C)ccc1O2 ZINC000072394197 279263100 /nfs/dbraw/zinc/26/31/00/279263100.db2.gz NGUDKTYCSQSNLN-SFHVURJKSA-N 2 1 344.499 3.080 40 0 EGABMP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)ccc1OC1CCCC1 ZINC000057811511 454148062 /nfs/dbraw/zinc/14/80/62/454148062.db2.gz HMUHTKQPTVOTGX-KRWDZBQOSA-N 2 1 332.488 3.400 40 0 EGABMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)ccc1OC1CCCC1 ZINC000057811511 454148069 /nfs/dbraw/zinc/14/80/69/454148069.db2.gz HMUHTKQPTVOTGX-KRWDZBQOSA-N 2 1 332.488 3.400 40 0 EGABMP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)ccc1OC1CCCC1 ZINC000057811511 454148074 /nfs/dbraw/zinc/14/80/74/454148074.db2.gz HMUHTKQPTVOTGX-KRWDZBQOSA-N 2 1 332.488 3.400 40 0 EGABMP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)ccc1OC1CCCC1 ZINC000057811511 454148081 /nfs/dbraw/zinc/14/80/81/454148081.db2.gz HMUHTKQPTVOTGX-KRWDZBQOSA-N 2 1 332.488 3.400 40 0 EGABMP Cc1noc(C)c1C[N@@H+]1CCC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096062883 454279028 /nfs/dbraw/zinc/27/90/28/454279028.db2.gz DJGFFDHTIBPSDF-UHFFFAOYSA-N 2 1 346.500 3.236 40 0 EGABMP Cc1noc(C)c1C[N@H+]1CCC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096062883 454279030 /nfs/dbraw/zinc/27/90/30/454279030.db2.gz DJGFFDHTIBPSDF-UHFFFAOYSA-N 2 1 346.500 3.236 40 0 EGABMP Cc1cccc(C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)n1 ZINC000096079730 454280361 /nfs/dbraw/zinc/28/03/61/454280361.db2.gz QURLTQGQIZPDBD-LJQANCHMSA-N 2 1 337.467 3.468 40 0 EGABMP Fc1ccccc1C[NH+]1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000096484338 454366669 /nfs/dbraw/zinc/36/66/69/454366669.db2.gz AZVIYRVPZGGFPZ-VQTJNVASSA-N 3 1 345.506 3.254 40 0 EGABMP C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[NH2+]CC[NH3+] ZINC000253531188 455851766 /nfs/dbraw/zinc/85/17/66/455851766.db2.gz UCLYPBSPTCWPOQ-TWHJCCPZSA-N 2 1 334.548 3.307 40 0 biogenic EGABMP Cc1cc(N(C)C)cc([C@@H]2CC[N@@H+](Cc3nccn3C(C)C)C2)[nH+]1 ZINC000257230894 244212598 /nfs/dbraw/zinc/21/25/98/244212598.db2.gz GEKROWIXOSFKPU-MRXNPFEDSA-N 2 1 327.476 3.223 40 0 EGABMP Cc1cc(N(C)C)cc([C@@H]2CC[N@H+](Cc3nccn3C(C)C)C2)[nH+]1 ZINC000257230894 244212606 /nfs/dbraw/zinc/21/26/06/244212606.db2.gz GEKROWIXOSFKPU-MRXNPFEDSA-N 2 1 327.476 3.223 40 0 EGABMP C[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc(F)ccc2F)CC1 ZINC000078553870 217074954 /nfs/dbraw/zinc/07/49/54/217074954.db2.gz ITPNCYQHUVOCDS-UHFFFAOYSA-N 2 1 331.410 3.006 40 0 EGABMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000090723578 323214621 /nfs/dbraw/zinc/21/46/21/323214621.db2.gz DRGLEBUWCZBKTR-LLGFUMIMSA-N 2 1 346.515 3.201 40 0 EGABMP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCCC1)O2 ZINC000096209528 454305720 /nfs/dbraw/zinc/30/57/20/454305720.db2.gz GGMSCOSQFXAOGL-FUHWJXTLSA-N 2 1 335.517 3.061 40 0 EGABMP CCc1nc(C)cc(N2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)n1 ZINC000252495010 455813597 /nfs/dbraw/zinc/81/35/97/455813597.db2.gz OKPDHPODWOFFTD-GOSISDBHSA-N 2 1 339.487 3.233 40 0 EGABMP CCc1nc(N2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)cc(C)[nH+]1 ZINC000252495010 455813608 /nfs/dbraw/zinc/81/36/08/455813608.db2.gz OKPDHPODWOFFTD-GOSISDBHSA-N 2 1 339.487 3.233 40 0 EGABMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1N(C)C ZINC000096477966 287013749 /nfs/dbraw/zinc/01/37/49/287013749.db2.gz LKZOPQAXVQNFDE-HZPDHXFCSA-N 2 1 349.494 3.043 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(C)C ZINC000079404729 276019489 /nfs/dbraw/zinc/01/94/89/276019489.db2.gz CTWWLNINKDQWDL-UXHICEINSA-N 2 1 345.531 3.261 40 0 EGABMP c1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2N2CC[NH2+]CC2)cc1 ZINC000072216368 454273641 /nfs/dbraw/zinc/27/36/41/454273641.db2.gz QZLMWDVOBILXFU-HXUWFJFHSA-N 2 1 336.483 3.218 40 0 EGABMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)cc1)C2 ZINC000096220679 454307112 /nfs/dbraw/zinc/30/71/12/454307112.db2.gz NRYBZBZOROOALJ-QUCCMNQESA-N 2 1 332.463 3.006 40 0 EGABMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)cc1)C2 ZINC000096220679 454307118 /nfs/dbraw/zinc/30/71/18/454307118.db2.gz NRYBZBZOROOALJ-QUCCMNQESA-N 2 1 332.463 3.006 40 0 EGABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096220679 454307124 /nfs/dbraw/zinc/30/71/24/454307124.db2.gz NRYBZBZOROOALJ-QUCCMNQESA-N 2 1 332.463 3.006 40 0 EGABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096220679 454307127 /nfs/dbraw/zinc/30/71/27/454307127.db2.gz NRYBZBZOROOALJ-QUCCMNQESA-N 2 1 332.463 3.006 40 0 EGABMP C[N@@H+](Cc1cccnc1)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019586581 212048535 /nfs/dbraw/zinc/04/85/35/212048535.db2.gz XGRFHYUDKGZBER-UHFFFAOYSA-N 2 1 337.467 3.377 40 0 EGABMP C[C@@H](CC[N@H+]1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1)c1ccccc1 ZINC000248235430 455700319 /nfs/dbraw/zinc/70/03/19/455700319.db2.gz MHPFOXIEDHMHNR-OXJNMPFZSA-N 2 1 336.483 3.453 40 0 EGABMP Fc1ccccc1C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252485839 455810050 /nfs/dbraw/zinc/81/00/50/455810050.db2.gz AZVIYRVPZGGFPZ-UXHICEINSA-N 3 1 345.506 3.254 40 0 EGABMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H](O)c1ccc(O)cc1 ZINC000009861939 211128864 /nfs/dbraw/zinc/12/88/64/211128864.db2.gz QUWLSGPWMDGNIT-IERDGZPVSA-N 2 1 340.467 3.068 40 0 EGABMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1C[NH+]1CCCC1 ZINC000096491549 277931179 /nfs/dbraw/zinc/93/11/79/277931179.db2.gz IACTURIARCDKFI-INIZCTEOSA-N 3 1 331.504 3.036 40 0 EGABMP Cc1ncsc1C[NH+]1CCC2(C[C@H](COCC3CC3)[N@@H+](C)C2)CC1 ZINC000096208938 454304871 /nfs/dbraw/zinc/30/48/71/454304871.db2.gz WFRCSQMGZUGUSP-QGZVFWFLSA-N 2 1 349.544 3.164 40 0 EGABMP FCC[NH+]1CCC2(CC1)C[C@H]([NH2+]C1CCOCC1)c1ccccc1O2 ZINC000096242736 454312061 /nfs/dbraw/zinc/31/20/61/454312061.db2.gz QOXHMROPQIKQRN-SFHVURJKSA-N 2 1 348.462 3.083 40 0 EGABMP Cc1[nH+]ccn1Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC000096427196 454340665 /nfs/dbraw/zinc/34/06/65/454340665.db2.gz UICMZCRIEZLHII-IBGZPJMESA-N 2 1 340.471 3.441 40 0 EGABMP Cc1[nH+]ccn1Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC000096427196 454340670 /nfs/dbraw/zinc/34/06/70/454340670.db2.gz UICMZCRIEZLHII-IBGZPJMESA-N 2 1 340.471 3.441 40 0 EGABMP C[C@@H](CC[N@H+]1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1)c1ccccc1 ZINC000248241378 455700518 /nfs/dbraw/zinc/70/05/18/455700518.db2.gz OOFAILVYZMZMAE-WMZOPIPTSA-N 2 1 336.483 3.105 40 0 EGABMP CCOC(=O)[C@@H](C[NH3+])[C@@]1([NH+]2CCCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216352068 456029591 /nfs/dbraw/zinc/02/95/91/456029591.db2.gz YDFIKGOBEHXAQA-JSJNYSNDSA-N 2 1 336.520 3.195 40 0 EGABMP CCOC(=O)[C@@H](C[NH3+])[C@]1([NH+]2CCCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351982 456029744 /nfs/dbraw/zinc/02/97/44/456029744.db2.gz YDFIKGOBEHXAQA-ACZWYYKOSA-N 2 1 336.520 3.195 40 0 EGABMP Cc1noc(C)c1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000095410330 218347611 /nfs/dbraw/zinc/34/76/11/218347611.db2.gz PLUPGTXZTGIWOY-UHFFFAOYSA-N 2 1 342.487 3.112 40 0 EGABMP C[N@@H+](C[C@@H]1CO[C@@]2(C1)CCC[NH+](CCc1ccccc1)C2)C1CC1 ZINC000096075656 454280173 /nfs/dbraw/zinc/28/01/73/454280173.db2.gz XQAZPTWCEAUBDZ-TZIWHRDSSA-N 2 1 328.500 3.194 40 0 EGABMP C[NH+](C[C@@H]1CO[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2)C1CC1 ZINC000096075656 454280177 /nfs/dbraw/zinc/28/01/77/454280177.db2.gz XQAZPTWCEAUBDZ-TZIWHRDSSA-N 2 1 328.500 3.194 40 0 EGABMP C[NH+](C[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2)C1CC1 ZINC000096075656 454280179 /nfs/dbraw/zinc/28/01/79/454280179.db2.gz XQAZPTWCEAUBDZ-TZIWHRDSSA-N 2 1 328.500 3.194 40 0 EGABMP c1cc2n(n1)C[C@@H](CNc1ccccn1)C[N@@H+](Cc1ccccc1)C2 ZINC000248133476 455686048 /nfs/dbraw/zinc/68/60/48/455686048.db2.gz YGJIZHVVHQRZGF-SFHVURJKSA-N 2 1 333.439 3.022 40 0 EGABMP CC[NH+](CC)CC[C@@H]1Cn2nccc2C[N@H+](Cc2ccsc2)C1 ZINC000248252915 455701523 /nfs/dbraw/zinc/70/15/23/455701523.db2.gz MZVHBCYYTYDRDX-INIZCTEOSA-N 2 1 332.517 3.309 40 0 EGABMP CC[NH+](CC)CC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccsc2)C1 ZINC000248252915 455701527 /nfs/dbraw/zinc/70/15/27/455701527.db2.gz MZVHBCYYTYDRDX-INIZCTEOSA-N 2 1 332.517 3.309 40 0 EGABMP CCOc1ccccc1CN1CCC[C@@H]1c1nccc(CN(C)C)n1 ZINC000257301983 455886567 /nfs/dbraw/zinc/88/65/67/455886567.db2.gz SAWYUFBTEUGMNQ-GOSISDBHSA-N 2 1 340.471 3.274 40 0 EGABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](CC1CCC1)CC2 ZINC000585104270 459824178 /nfs/dbraw/zinc/82/41/78/459824178.db2.gz XMOSREMKVUGHPK-GOSISDBHSA-N 2 1 332.488 3.240 40 0 EGABMP COC[C@H]1C[N@@H+](Cc2cccnc2)CC12CC[NH+](CC1CCC1)CC2 ZINC000585103845 459824372 /nfs/dbraw/zinc/82/43/72/459824372.db2.gz SBQAAWYQNFDEBK-HXUWFJFHSA-N 2 1 343.515 3.042 40 0 EGABMP Cc1[nH+]cc2cc(C3(C)CC[NH+](Cc4cscn4)CC3)nc(C)n21 ZINC000257201107 244122604 /nfs/dbraw/zinc/12/26/04/244122604.db2.gz AGIDJZKFFWWHNK-UHFFFAOYSA-N 2 1 341.484 3.356 40 0 EGABMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096048000 454271789 /nfs/dbraw/zinc/27/17/89/454271789.db2.gz RHNJGEROFFUWCM-QGZVFWFLSA-N 2 1 330.428 3.128 40 0 EGABMP C[N@@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC000096220899 454309240 /nfs/dbraw/zinc/30/92/40/454309240.db2.gz KJSFYPNDNXZLHY-HXUWFJFHSA-N 2 1 343.515 3.327 40 0 EGABMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000195553916 455983665 /nfs/dbraw/zinc/98/36/65/455983665.db2.gz PAXSWWDWSTWKIY-SUNKGSAMSA-N 2 1 344.425 3.338 40 0 EGABMP CCOC(=O)[C@H](C[NH3+])[C@@]1([NH+]2CCCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216352112 456029688 /nfs/dbraw/zinc/02/96/88/456029688.db2.gz YDFIKGOBEHXAQA-FVCZOJIISA-N 2 1 336.520 3.195 40 0 EGABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](CC1CCC1)CC2 ZINC000585104271 459824208 /nfs/dbraw/zinc/82/42/08/459824208.db2.gz XMOSREMKVUGHPK-SFHVURJKSA-N 2 1 332.488 3.240 40 0 EGABMP Cc1ncsc1C[NH+]1CCC2(C[N@@H+](C)C[C@@H]2COCC2CC2)CC1 ZINC000585102656 459824338 /nfs/dbraw/zinc/82/43/38/459824338.db2.gz ABSUOFCCRYORMA-QGZVFWFLSA-N 2 1 349.544 3.022 40 0 EGABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1cccnc1)Cc1ccccc1O2 ZINC000019591993 212048685 /nfs/dbraw/zinc/04/86/85/212048685.db2.gz RYBQTQLKSATEFE-UHFFFAOYSA-N 2 1 337.467 3.377 40 0 EGABMP c1csc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC000096046621 454270214 /nfs/dbraw/zinc/27/02/14/454270214.db2.gz UVVGJLWFNPJBOF-UHFFFAOYSA-N 2 1 328.485 3.026 40 0 EGABMP c1csc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC000096046621 454270219 /nfs/dbraw/zinc/27/02/19/454270219.db2.gz UVVGJLWFNPJBOF-UHFFFAOYSA-N 2 1 328.485 3.026 40 0 EGABMP C[N@@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[NH+](Cc3cccs3)C[C@@H]21 ZINC000096056293 454274183 /nfs/dbraw/zinc/27/41/83/454274183.db2.gz SWBADJJFMJTEKB-ZYSHUDEJSA-N 2 1 346.496 3.310 40 0 EGABMP C[N@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[NH+](Cc3cccs3)C[C@@H]21 ZINC000096056293 454274187 /nfs/dbraw/zinc/27/41/87/454274187.db2.gz SWBADJJFMJTEKB-ZYSHUDEJSA-N 2 1 346.496 3.310 40 0 EGABMP C[NH+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@H+](Cc3cccs3)C[C@@H]21 ZINC000096056293 454274191 /nfs/dbraw/zinc/27/41/91/454274191.db2.gz SWBADJJFMJTEKB-ZYSHUDEJSA-N 2 1 346.496 3.310 40 0 EGABMP C[NH+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3cccs3)C[C@@H]21 ZINC000096056293 454274195 /nfs/dbraw/zinc/27/41/95/454274195.db2.gz SWBADJJFMJTEKB-ZYSHUDEJSA-N 2 1 346.496 3.310 40 0 EGABMP Cc1nc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cccn2C)CC3)cs1 ZINC000096062853 454277924 /nfs/dbraw/zinc/27/79/24/454277924.db2.gz YBGDBEINNGSSSP-UHFFFAOYSA-N 2 1 344.528 3.278 40 0 EGABMP Cc1ccc(C[N@H+]2CCc3c(COCC[NH+](C)C)cncc3C2)s1 ZINC000096189338 454299773 /nfs/dbraw/zinc/29/97/73/454299773.db2.gz HQYAXMMXQOEVKE-UHFFFAOYSA-N 2 1 345.512 3.088 40 0 EGABMP Cc1ccc(C[N@@H+]2CCc3c(COCC[NH+](C)C)cncc3C2)s1 ZINC000096189338 454299777 /nfs/dbraw/zinc/29/97/77/454299777.db2.gz HQYAXMMXQOEVKE-UHFFFAOYSA-N 2 1 345.512 3.088 40 0 EGABMP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096215680 454305417 /nfs/dbraw/zinc/30/54/17/454305417.db2.gz DOMCWLGWBUQYER-OAQYLSRUSA-N 2 1 344.499 3.162 40 0 EGABMP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096215680 454305419 /nfs/dbraw/zinc/30/54/19/454305419.db2.gz DOMCWLGWBUQYER-OAQYLSRUSA-N 2 1 344.499 3.162 40 0 EGABMP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)c1 ZINC000096215680 454305421 /nfs/dbraw/zinc/30/54/21/454305421.db2.gz DOMCWLGWBUQYER-OAQYLSRUSA-N 2 1 344.499 3.162 40 0 EGABMP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000096215680 454305422 /nfs/dbraw/zinc/30/54/22/454305422.db2.gz DOMCWLGWBUQYER-OAQYLSRUSA-N 2 1 344.499 3.162 40 0 EGABMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc(C)c1O ZINC000252536801 455820981 /nfs/dbraw/zinc/82/09/81/455820981.db2.gz JPDFASFMXVBQCQ-MISYRCLQSA-N 2 1 346.515 3.031 40 0 EGABMP C[C@@](O)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccsc1 ZINC000095423042 218365066 /nfs/dbraw/zinc/36/50/66/218365066.db2.gz AKIUXOLKOYKSIB-HXUWFJFHSA-N 2 1 344.524 3.252 40 0 EGABMP C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[NH2+]CC[NH3+] ZINC000118918955 221204295 /nfs/dbraw/zinc/20/42/95/221204295.db2.gz UCLYPBSPTCWPOQ-OIFNNXFWSA-N 2 1 334.548 3.307 40 0 EGABMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000022462544 453692753 /nfs/dbraw/zinc/69/27/53/453692753.db2.gz VHHKQPAMKPAGAC-QFIPXVFZSA-N 2 1 335.495 3.079 40 0 EGABMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000022462544 453692759 /nfs/dbraw/zinc/69/27/59/453692759.db2.gz VHHKQPAMKPAGAC-QFIPXVFZSA-N 2 1 335.495 3.079 40 0 EGABMP CCc1nc(C)cc(N2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)n1 ZINC000252495011 455813091 /nfs/dbraw/zinc/81/30/91/455813091.db2.gz OKPDHPODWOFFTD-SFHVURJKSA-N 2 1 339.487 3.233 40 0 EGABMP CCc1nc(N2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)cc(C)[nH+]1 ZINC000252495011 455813101 /nfs/dbraw/zinc/81/31/01/455813101.db2.gz OKPDHPODWOFFTD-SFHVURJKSA-N 2 1 339.487 3.233 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C(C)C)CC1 ZINC000242543515 455271662 /nfs/dbraw/zinc/27/16/62/455271662.db2.gz KDBUBLSKJNCTJU-UFYCRDLUSA-N 2 1 345.531 3.308 40 0 EGABMP C[NH+](C)Cc1nccnc1C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000257324784 455891983 /nfs/dbraw/zinc/89/19/83/455891983.db2.gz WQDGEQBUGUMLNM-UHFFFAOYSA-N 2 1 342.462 3.099 40 0 EGABMP C[C@H](CC[N@H+]1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1)c1ccccc1 ZINC000019455733 212029834 /nfs/dbraw/zinc/02/98/34/212029834.db2.gz OOFAILVYZMZMAE-SJLPKXTDSA-N 2 1 336.483 3.105 40 0 EGABMP COc1ccccc1[C@@H](O)C(C[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000001689365 286510197 /nfs/dbraw/zinc/51/01/97/286510197.db2.gz MECOWGVOIJNFCT-NRFANRHFSA-N 2 1 346.515 3.317 40 0 EGABMP C[C@H](O)[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000219773584 278301149 /nfs/dbraw/zinc/30/11/49/278301149.db2.gz VYLVOHNDVSEGOP-UPZYVNNASA-N 2 1 336.479 3.220 40 0 EGABMP C[NH2+]CCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000008377218 453198951 /nfs/dbraw/zinc/19/89/51/453198951.db2.gz QMLAAWMLNSDGFY-UHFFFAOYSA-N 2 1 332.419 3.112 40 0 EGABMP Cc1nc(COC[C@H]2CN(C3CCCC3)Cc3cncn32)cs1 ZINC000248019205 455670389 /nfs/dbraw/zinc/67/03/89/455670389.db2.gz IMLUVXACNQAGEH-QGZVFWFLSA-N 2 1 332.473 3.164 40 0 EGABMP Nc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccn1 ZINC000248654572 455725310 /nfs/dbraw/zinc/72/53/10/455725310.db2.gz AHKXTCYGHZPTFY-VQTJNVASSA-N 2 1 336.483 3.150 40 0 EGABMP Fc1ccccc1C[NH+]1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252485838 455809357 /nfs/dbraw/zinc/80/93/57/455809357.db2.gz AZVIYRVPZGGFPZ-PMACEKPBSA-N 3 1 345.506 3.254 40 0 EGABMP C[N@H+]1CCCN(Cc2ccc(C[NH2+]Cc3cccs3)cc2)CC1 ZINC000078553016 217073110 /nfs/dbraw/zinc/07/31/10/217073110.db2.gz FPBHOBMNXUMYMG-UHFFFAOYSA-N 2 1 329.513 3.175 40 0 EGABMP CN1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cccs3)cc2)CC1 ZINC000078553016 217073113 /nfs/dbraw/zinc/07/31/13/217073113.db2.gz FPBHOBMNXUMYMG-UHFFFAOYSA-N 2 1 329.513 3.175 40 0 EGABMP CN1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cccs3)cc2)CC1 ZINC000078553016 217073117 /nfs/dbraw/zinc/07/31/17/217073117.db2.gz FPBHOBMNXUMYMG-UHFFFAOYSA-N 2 1 329.513 3.175 40 0 EGABMP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](C3CCCC3)CC2)cs1 ZINC000225462818 279139001 /nfs/dbraw/zinc/13/90/01/279139001.db2.gz HNDQCLIKNFSURL-UHFFFAOYSA-N 2 1 337.533 3.211 40 0 biogenic,in-vitro EGABMP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](CCC(C)C)CC2)cs1 ZINC000225463063 279139142 /nfs/dbraw/zinc/13/91/42/279139142.db2.gz GKKVDAGXBOYGMP-UHFFFAOYSA-N 2 1 339.549 3.314 40 0 biogenic,in-vitro EGABMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC000096183042 454298430 /nfs/dbraw/zinc/29/84/30/454298430.db2.gz OQPMANAZTODYKP-HLAWJBBLSA-N 2 1 336.483 3.209 40 0 EGABMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC000096183042 454298433 /nfs/dbraw/zinc/29/84/33/454298433.db2.gz OQPMANAZTODYKP-HLAWJBBLSA-N 2 1 336.483 3.209 40 0 EGABMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096183042 454298438 /nfs/dbraw/zinc/29/84/38/454298438.db2.gz OQPMANAZTODYKP-HLAWJBBLSA-N 2 1 336.483 3.209 40 0 EGABMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096183042 454298442 /nfs/dbraw/zinc/29/84/42/454298442.db2.gz OQPMANAZTODYKP-HLAWJBBLSA-N 2 1 336.483 3.209 40 0 EGABMP CC1(C)Cc2occc2[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000096477951 454364435 /nfs/dbraw/zinc/36/44/35/454364435.db2.gz FBLWURCRERIRCJ-MAUKXSAKSA-N 2 1 332.488 3.384 40 0 EGABMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC1CC[NH2+]CC1 ZINC000252503508 455816393 /nfs/dbraw/zinc/81/63/93/455816393.db2.gz VECVEHZRRPOFLJ-UHFFFAOYSA-N 2 1 330.451 3.080 40 0 EGABMP FC(F)(F)CO[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245289563 303115799 /nfs/dbraw/zinc/11/57/99/303115799.db2.gz CRVXSOWJFNCXPI-LVQVYYBASA-N 2 1 334.426 3.341 40 0 EGABMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)o1 ZINC000096046509 454270128 /nfs/dbraw/zinc/27/01/28/454270128.db2.gz LNHUNLHDJLTGKP-UHFFFAOYSA-N 2 1 325.456 3.471 40 0 EGABMP CC(C)[N@@H+](C)C[C@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)CO1 ZINC000096224943 454309486 /nfs/dbraw/zinc/30/94/86/454309486.db2.gz VVFUYQOBPSHTAB-LJQANCHMSA-N 2 1 331.504 3.183 40 0 EGABMP CC1(C)Cc2occc2[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000096477953 454363809 /nfs/dbraw/zinc/36/38/09/454363809.db2.gz FBLWURCRERIRCJ-YJBOKZPZSA-N 2 1 332.488 3.384 40 0 EGABMP Nc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccn1 ZINC000225614712 456098997 /nfs/dbraw/zinc/09/89/97/456098997.db2.gz AHKXTCYGHZPTFY-WOJBJXKFSA-N 2 1 336.483 3.150 40 0 EGABMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc4c(c3)OCO4)CC2)[nH+]c1 ZINC000095423129 218365458 /nfs/dbraw/zinc/36/54/58/218365458.db2.gz NYDQPQHHXATYNR-OAHLLOKOSA-N 2 1 339.439 3.438 40 0 EGABMP NC(=[NH2+])c1ccc2oc(C=Cc3nc4ccc(C(N)=[NH2+])cc4[nH]3)cc2c1 ZINC000005479130 452877190 /nfs/dbraw/zinc/87/71/90/452877190.db2.gz OOKWWPFCCCMWIS-UTCJRWHESA-N 2 1 344.378 3.048 40 0 EGABMP CCOc1cc(C[NH2+]CCC[NH2+]C)ccc1OCc1ccccc1 ZINC000008254625 453182270 /nfs/dbraw/zinc/18/22/70/453182270.db2.gz JONYHKZQQXWILN-UHFFFAOYSA-N 2 1 328.456 3.363 40 0 EGABMP C[N@@H+](C[C@H]1CO[C@]2(C1)CCC[NH+](CCc1ccccc1)C2)C1CC1 ZINC000248090557 455680343 /nfs/dbraw/zinc/68/03/43/455680343.db2.gz XQAZPTWCEAUBDZ-FPOVZHCZSA-N 2 1 328.500 3.194 40 0 EGABMP C[NH+](C[C@H]1CO[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2)C1CC1 ZINC000248090557 455680349 /nfs/dbraw/zinc/68/03/49/455680349.db2.gz XQAZPTWCEAUBDZ-FPOVZHCZSA-N 2 1 328.500 3.194 40 0 EGABMP C[NH+](C[C@H]1CO[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2)C1CC1 ZINC000248090557 455680352 /nfs/dbraw/zinc/68/03/52/455680352.db2.gz XQAZPTWCEAUBDZ-FPOVZHCZSA-N 2 1 328.500 3.194 40 0 EGABMP C[C@H](C[N@H+]1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1)c1ccccc1 ZINC000248168728 455692928 /nfs/dbraw/zinc/69/29/28/455692928.db2.gz QFPMVKDOFNKWCF-OXQOHEQNSA-N 2 1 336.483 3.453 40 0 EGABMP C[C@@H](CC[N@H+]1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1)c1ccccc1 ZINC000019455730 212029348 /nfs/dbraw/zinc/02/93/48/212029348.db2.gz OOFAILVYZMZMAE-FUHWJXTLSA-N 2 1 336.483 3.105 40 0 EGABMP C[C@@](O)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccs1 ZINC000095422983 218364928 /nfs/dbraw/zinc/36/49/28/218364928.db2.gz QLWWFMZHSRRYKW-HXUWFJFHSA-N 2 1 344.524 3.252 40 0 EGABMP Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(O[C@H]2CCOC2)c1 ZINC000095423758 218366275 /nfs/dbraw/zinc/36/62/75/218366275.db2.gz XHTICHZVVUIYSP-FQEVSTJZSA-N 2 1 344.499 3.127 40 0 EGABMP Cc1cc(N2CCC([NH2+][C@@H](C)Cc3ccsc3)CC2)nc(C)[nH+]1 ZINC000096479070 218855116 /nfs/dbraw/zinc/85/51/16/218855116.db2.gz QPGLAMFEUWYZLG-ZDUSSCGKSA-N 2 1 330.501 3.345 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[N@@H+](Cc1ccccc1)C(C)C ZINC000079415913 276019881 /nfs/dbraw/zinc/01/98/81/276019881.db2.gz NQYRQKSOZFSDLG-PMACEKPBSA-N 2 1 345.531 3.261 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[N@@H+](Cc1ccccc1)C1CC1 ZINC000079415963 280275376 /nfs/dbraw/zinc/27/53/76/280275376.db2.gz SHIQZZNATFIIEU-ZCNNSNEGSA-N 2 1 343.515 3.062 40 0 EGABMP CC(C)Oc1ccc(C[NH2+]CC[C@@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013765782 453488381 /nfs/dbraw/zinc/48/83/81/453488381.db2.gz VTZLVAXMWLFFNO-SQGPQFPESA-N 2 1 334.504 3.045 40 0 EGABMP C[C@@H](C[N@H+]1CCc2nc([C@H]3CCCC[NH2+]3)ncc2C1)c1ccccc1 ZINC000248168725 455692820 /nfs/dbraw/zinc/69/28/20/455692820.db2.gz QFPMVKDOFNKWCF-OXJNMPFZSA-N 2 1 336.483 3.453 40 0 EGABMP CCC[N@@H+](CC[C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000257362185 455898248 /nfs/dbraw/zinc/89/82/48/455898248.db2.gz CJSNSEJQHILRQM-KKUMJFAQSA-N 2 1 336.549 3.202 40 0 EGABMP C[N@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000585104249 459823718 /nfs/dbraw/zinc/82/37/18/459823718.db2.gz XHXKJSCUBTUAHP-GOSISDBHSA-N 2 1 334.529 3.319 40 0 EGABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1ccco1)CC2 ZINC000585102787 459824141 /nfs/dbraw/zinc/82/41/41/459824141.db2.gz FSBDZKLKNYHDMM-QGZVFWFLSA-N 2 1 344.455 3.233 40 0 EGABMP CC1(C)CC([N@H+](Cc2ccccn2)C[C@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000036740497 453930783 /nfs/dbraw/zinc/93/07/83/453930783.db2.gz AOLJFMHOBITAEO-MRXNPFEDSA-N 2 1 331.504 3.229 40 0 EGABMP C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[NH2+]CC[NH3+] ZINC000095858021 454232209 /nfs/dbraw/zinc/23/22/09/454232209.db2.gz UCLYPBSPTCWPOQ-QKSWPAOXSA-N 2 1 334.548 3.307 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](Cc2ccccc2)C(C)C)CC1 ZINC000079391070 217217704 /nfs/dbraw/zinc/21/77/04/217217704.db2.gz LUDDDOBGGBGOFE-FQEVSTJZSA-N 2 1 345.531 3.119 40 0 EGABMP CC(C)[NH+]1CCC2(C[C@@H]([NH2+]Cc3nccn3C)c3ccccc32)CC1 ZINC000096078986 454279539 /nfs/dbraw/zinc/27/95/39/454279539.db2.gz JOYWLXXWVLPMDZ-LJQANCHMSA-N 2 1 338.499 3.397 40 0 EGABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](C1CCCC1)CC2 ZINC000585103856 459824200 /nfs/dbraw/zinc/82/42/00/459824200.db2.gz SFEWJZAOFNPITN-KRWDZBQOSA-N 2 1 332.488 3.383 40 0 EGABMP C[N@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000585102748 459824442 /nfs/dbraw/zinc/82/44/42/459824442.db2.gz CWGIEORXMUQOIH-KRWDZBQOSA-N 2 1 334.529 3.319 40 0 EGABMP C[NH+](C)C1CCC2(CC1)C[N@H+](Cc1c[nH]cn1)Cc1ccccc1O2 ZINC000019583950 212047027 /nfs/dbraw/zinc/04/70/27/212047027.db2.gz TUWWHFXYWJDMIH-UHFFFAOYSA-N 2 1 340.471 3.047 40 0 EGABMP C[NH+](C)C1CCC2(CC1)C[N@@H+](Cc1c[nH]cn1)Cc1ccccc1O2 ZINC000019583950 212047030 /nfs/dbraw/zinc/04/70/30/212047030.db2.gz TUWWHFXYWJDMIH-UHFFFAOYSA-N 2 1 340.471 3.047 40 0 EGABMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000090723577 323214785 /nfs/dbraw/zinc/21/47/85/323214785.db2.gz DRGLEBUWCZBKTR-CBGDNZLLSA-N 2 1 346.515 3.201 40 0 EGABMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCOC2)CC3)c1 ZINC000096062862 454278167 /nfs/dbraw/zinc/27/81/67/454278167.db2.gz FUPIABQJQUZLSV-IBGZPJMESA-N 2 1 344.499 3.020 40 0 EGABMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4nccn4C)C3)CC2)cc1 ZINC000096157618 454294248 /nfs/dbraw/zinc/29/42/48/454294248.db2.gz SMUIYENUZDDFIU-UHFFFAOYSA-N 2 1 338.499 3.217 40 0 EGABMP Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4nccn4C)C3)CC2)cc1 ZINC000096157618 454294250 /nfs/dbraw/zinc/29/42/50/454294250.db2.gz SMUIYENUZDDFIU-UHFFFAOYSA-N 2 1 338.499 3.217 40 0 EGABMP Cn1cccc1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccco3)C2)CC1 ZINC000096159253 454295878 /nfs/dbraw/zinc/29/58/78/454295878.db2.gz KBCZBTMFRLNRPC-UHFFFAOYSA-N 2 1 327.472 3.495 40 0 EGABMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1sccc1C)C2 ZINC000096220160 454307263 /nfs/dbraw/zinc/30/72/63/454307263.db2.gz DAVWRANARBXOEN-HKUYNNGSSA-N 2 1 334.529 3.237 40 0 EGABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1sccc1C)C2 ZINC000096220160 454307264 /nfs/dbraw/zinc/30/72/64/454307264.db2.gz DAVWRANARBXOEN-HKUYNNGSSA-N 2 1 334.529 3.237 40 0 EGABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1sccc1C)C2 ZINC000096220160 454307270 /nfs/dbraw/zinc/30/72/70/454307270.db2.gz DAVWRANARBXOEN-HKUYNNGSSA-N 2 1 334.529 3.237 40 0 EGABMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccc(Cl)cc1 ZINC000150759693 454887412 /nfs/dbraw/zinc/88/74/12/454887412.db2.gz UMQGJAIKDMWZRC-HNNXBMFYSA-N 2 1 335.879 3.086 40 0 EGABMP CC[NH+](CC)CC[C@H]1Cn2nccc2C[N@H+](Cc2ccsc2)C1 ZINC000248252916 455701203 /nfs/dbraw/zinc/70/12/03/455701203.db2.gz MZVHBCYYTYDRDX-MRXNPFEDSA-N 2 1 332.517 3.309 40 0 EGABMP CC[NH+](CC)CC[C@H]1Cn2nccc2C[N@@H+](Cc2ccsc2)C1 ZINC000248252916 455701208 /nfs/dbraw/zinc/70/12/08/455701208.db2.gz MZVHBCYYTYDRDX-MRXNPFEDSA-N 2 1 332.517 3.309 40 0 EGABMP COc1ccccc1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000195540644 455982933 /nfs/dbraw/zinc/98/29/33/455982933.db2.gz NUZPKECEMMKQQK-DOADOZAASA-N 2 1 346.515 3.278 40 0 EGABMP CNc1ccc(C)cc1C[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000902207950 1317545058 /nfs/dbraw/zinc/54/50/58/1317545058.db2.gz CPTVUIKCXJJPRA-SFHVURJKSA-N 2 1 339.487 3.202 40 0 EGABMP Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(O[C@@H]2CCOC2)c1 ZINC000095423757 218365743 /nfs/dbraw/zinc/36/57/43/218365743.db2.gz XHTICHZVVUIYSP-HXUWFJFHSA-N 2 1 344.499 3.127 40 0 EGABMP CCOc1cc(C[NH2+]CCC[NH2+]C)ccc1OCc1cccs1 ZINC000007523856 257864737 /nfs/dbraw/zinc/86/47/37/257864737.db2.gz VLWWCUFGJJEVJV-UHFFFAOYSA-N 2 1 334.485 3.425 40 0 EGABMP c1csc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC000096046620 454270548 /nfs/dbraw/zinc/27/05/48/454270548.db2.gz URCNXNFEFBOAEZ-UHFFFAOYSA-N 2 1 328.485 3.026 40 0 EGABMP c1csc(C[NH+]2CCC3(CC[N@H+](Cc4ccccn4)C3)CC2)n1 ZINC000096046620 454270552 /nfs/dbraw/zinc/27/05/52/454270552.db2.gz URCNXNFEFBOAEZ-UHFFFAOYSA-N 2 1 328.485 3.026 40 0 EGABMP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096215678 454305918 /nfs/dbraw/zinc/30/59/18/454305918.db2.gz DOMCWLGWBUQYER-NRFANRHFSA-N 2 1 344.499 3.162 40 0 EGABMP COc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096215678 454305923 /nfs/dbraw/zinc/30/59/23/454305923.db2.gz DOMCWLGWBUQYER-NRFANRHFSA-N 2 1 344.499 3.162 40 0 EGABMP COc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)c1 ZINC000096215678 454305927 /nfs/dbraw/zinc/30/59/27/454305927.db2.gz DOMCWLGWBUQYER-NRFANRHFSA-N 2 1 344.499 3.162 40 0 EGABMP COc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000096215678 454305932 /nfs/dbraw/zinc/30/59/32/454305932.db2.gz DOMCWLGWBUQYER-NRFANRHFSA-N 2 1 344.499 3.162 40 0 EGABMP Fc1ccccc1C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000096484337 454366329 /nfs/dbraw/zinc/36/63/29/454366329.db2.gz AZVIYRVPZGGFPZ-WOJBJXKFSA-N 3 1 345.506 3.254 40 0 EGABMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000090723575 323214744 /nfs/dbraw/zinc/21/47/44/323214744.db2.gz DRGLEBUWCZBKTR-LZJOCLMNSA-N 2 1 346.515 3.201 40 0 EGABMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096047997 454271638 /nfs/dbraw/zinc/27/16/38/454271638.db2.gz YCMVVDRBPHZKPO-INIZCTEOSA-N 2 1 330.428 3.128 40 0 EGABMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1sccc1C)C2 ZINC000096217775 454307635 /nfs/dbraw/zinc/30/76/35/454307635.db2.gz DAVWRANARBXOEN-MJGOQNOKSA-N 2 1 334.529 3.237 40 0 EGABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1sccc1C)C2 ZINC000096217775 454307640 /nfs/dbraw/zinc/30/76/40/454307640.db2.gz DAVWRANARBXOEN-MJGOQNOKSA-N 2 1 334.529 3.237 40 0 EGABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1sccc1C)C2 ZINC000096217775 454307645 /nfs/dbraw/zinc/30/76/45/454307645.db2.gz DAVWRANARBXOEN-MJGOQNOKSA-N 2 1 334.529 3.237 40 0 EGABMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(F)c1)C2 ZINC000096220661 454307982 /nfs/dbraw/zinc/30/79/82/454307982.db2.gz QOORRGIOAFSQPD-ICSRJNTNSA-N 2 1 332.463 3.006 40 0 EGABMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(F)c1)C2 ZINC000096220661 454307987 /nfs/dbraw/zinc/30/79/87/454307987.db2.gz QOORRGIOAFSQPD-ICSRJNTNSA-N 2 1 332.463 3.006 40 0 EGABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(F)c1)C2 ZINC000096220661 454307992 /nfs/dbraw/zinc/30/79/92/454307992.db2.gz QOORRGIOAFSQPD-ICSRJNTNSA-N 2 1 332.463 3.006 40 0 EGABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000096220661 454307995 /nfs/dbraw/zinc/30/79/95/454307995.db2.gz QOORRGIOAFSQPD-ICSRJNTNSA-N 2 1 332.463 3.006 40 0 EGABMP FC(F)(F)CO[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484343 454366500 /nfs/dbraw/zinc/36/65/00/454366500.db2.gz CRVXSOWJFNCXPI-FPCVCCKLSA-N 2 1 334.426 3.341 40 0 EGABMP FC(F)(F)CO[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484341 454366738 /nfs/dbraw/zinc/36/67/38/454366738.db2.gz CRVXSOWJFNCXPI-JJXSEGSLSA-N 2 1 334.426 3.341 40 0 EGABMP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252487478 455810857 /nfs/dbraw/zinc/81/08/57/455810857.db2.gz YKNYBBXOYYPXBJ-MSOLQXFVSA-N 2 1 330.472 3.358 40 0 EGABMP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000252487478 455810860 /nfs/dbraw/zinc/81/08/60/455810860.db2.gz YKNYBBXOYYPXBJ-MSOLQXFVSA-N 2 1 330.472 3.358 40 0 EGABMP Cc1cccc(NC[C@H]2CC[N@H+](CC3CCC4(CC3)OCCO4)C2)[nH+]1 ZINC000190242567 238326173 /nfs/dbraw/zinc/32/61/73/238326173.db2.gz LEEVFKWXUKBRLM-GOSISDBHSA-N 2 1 345.487 3.057 40 0 EGABMP Cc1cccc(NC[C@H]2CC[N@@H+](CC3CCC4(CC3)OCCO4)C2)[nH+]1 ZINC000190242567 238326179 /nfs/dbraw/zinc/32/61/79/238326179.db2.gz LEEVFKWXUKBRLM-GOSISDBHSA-N 2 1 345.487 3.057 40 0 EGABMP Cc1ccc(C[NH+]2CCC3(CC[N@H+](C4CCOCC4)C3)CC2)cc1 ZINC000096157620 454294755 /nfs/dbraw/zinc/29/47/55/454294755.db2.gz RLCGFZCRIWHPHI-UHFFFAOYSA-N 2 1 328.500 3.462 40 0 EGABMP C[N@@H+](Cc1ccccn1)C1CC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096159261 454295847 /nfs/dbraw/zinc/29/58/47/454295847.db2.gz ORXQFGVPLZJZNI-UHFFFAOYSA-N 2 1 336.483 3.353 40 0 EGABMP Cc1cccc(NC[C@@H]2CC[N@H+](CC3CCC4(CC3)OCCO4)C2)[nH+]1 ZINC000190242553 238326804 /nfs/dbraw/zinc/32/68/04/238326804.db2.gz LEEVFKWXUKBRLM-SFHVURJKSA-N 2 1 345.487 3.057 40 0 EGABMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC3CCC4(CC3)OCCO4)C2)[nH+]1 ZINC000190242553 238326807 /nfs/dbraw/zinc/32/68/07/238326807.db2.gz LEEVFKWXUKBRLM-SFHVURJKSA-N 2 1 345.487 3.057 40 0 EGABMP C[C@@H](C[N@H+]1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1)c1ccccc1 ZINC000019456385 212029260 /nfs/dbraw/zinc/02/92/60/212029260.db2.gz QFPMVKDOFNKWCF-JXFKEZNVSA-N 2 1 336.483 3.453 40 0 EGABMP Cc1[nH+]ccn1-c1ccc(CN(CC[NH+](C)C)Cc2ccccn2)cc1 ZINC000019288250 453655433 /nfs/dbraw/zinc/65/54/33/453655433.db2.gz ANWIUFWQAKCAAM-UHFFFAOYSA-N 2 1 349.482 3.140 40 0 EGABMP c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC000072216308 454274113 /nfs/dbraw/zinc/27/41/13/454274113.db2.gz DIADBPAAACHMEZ-HXUWFJFHSA-N 2 1 336.483 3.218 40 0 EGABMP Cc1noc(C)c1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096157406 454293792 /nfs/dbraw/zinc/29/37/92/454293792.db2.gz BKZMHNRZGQIVDZ-UHFFFAOYSA-N 2 1 340.471 3.175 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000079391065 454407455 /nfs/dbraw/zinc/40/74/55/454407455.db2.gz QOKZJPPMIXCQIK-UXHICEINSA-N 2 1 345.531 3.119 40 0 EGABMP N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000141184104 454827169 /nfs/dbraw/zinc/82/71/69/454827169.db2.gz JORFOQFEPOWZMD-SJORKVTESA-N 2 1 331.257 3.376 40 0 EGABMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc(C)c1O ZINC000252536802 455820637 /nfs/dbraw/zinc/82/06/37/455820637.db2.gz JPDFASFMXVBQCQ-YSIASYRMSA-N 2 1 346.515 3.031 40 0 EGABMP COC[C@@H]1C[N@@H+](Cc2cccnc2)CC12CC[NH+](CC1CCC1)CC2 ZINC000585103842 459824159 /nfs/dbraw/zinc/82/41/59/459824159.db2.gz SBQAAWYQNFDEBK-FQEVSTJZSA-N 2 1 343.515 3.042 40 0 EGABMP CSCC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(C[NH+](C)C)cc1 ZINC000019583576 212047448 /nfs/dbraw/zinc/04/74/48/212047448.db2.gz SORKLGIZSMTPTC-VQTJNVASSA-N 2 1 347.572 3.150 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2)C(C)C)C1 ZINC000079391062 217217278 /nfs/dbraw/zinc/21/72/78/217217278.db2.gz QOKZJPPMIXCQIK-PMACEKPBSA-N 2 1 345.531 3.119 40 0 EGABMP FC(F)(F)CO[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484342 454366629 /nfs/dbraw/zinc/36/66/29/454366629.db2.gz CRVXSOWJFNCXPI-ZJIFWQFVSA-N 2 1 334.426 3.341 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[N@@H+](Cc1ccccc1)C1CC1 ZINC000079415956 454412186 /nfs/dbraw/zinc/41/21/86/454412186.db2.gz SHIQZZNATFIIEU-UFYCRDLUSA-N 2 1 343.515 3.062 40 0 EGABMP Cc1ccc(C[NH+]2CCC3(C[N@@H+](C)C[C@@H]3COCC3CC3)CC2)o1 ZINC000248122990 455682835 /nfs/dbraw/zinc/68/28/35/455682835.db2.gz KRBGZWOZGCOUAA-GOSISDBHSA-N 2 1 332.488 3.158 40 0 EGABMP COc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1OC1CC1 ZINC000623352788 460505815 /nfs/dbraw/zinc/50/58/15/460505815.db2.gz NSFLSWLCBGHYQL-UHFFFAOYSA-N 2 1 332.488 3.446 40 0 EGABMP Cc1noc(C)c1C[NH+]1CCC2(C[C@@H](COCC3CC3)[N@@H+](C)C2)CC1 ZINC000096215283 454305546 /nfs/dbraw/zinc/30/55/46/454305546.db2.gz JAVWBJCJEBBLSH-SFHVURJKSA-N 2 1 347.503 3.004 40 0 EGABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1ccccn1)Cc1ccccc1O2 ZINC000019591992 202012723 /nfs/dbraw/zinc/01/27/23/202012723.db2.gz SYDREEZOOVWOOU-UHFFFAOYSA-N 2 1 337.467 3.377 40 0 EGABMP Cc1[nH+]ccn1-c1cccc(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000072379060 203210321 /nfs/dbraw/zinc/21/03/21/203210321.db2.gz FAIXPKMTDJSSFC-UHFFFAOYSA-N 2 1 333.439 3.350 40 0 EGABMP CC[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1CCOC1)Cc1cc(C)ccc1O2 ZINC000072394198 276360487 /nfs/dbraw/zinc/36/04/87/276360487.db2.gz NGUDKTYCSQSNLN-GOSISDBHSA-N 2 1 344.499 3.080 40 0 EGABMP FCC[NH+]1CCC2(CC1)C[C@@H]([NH2+]C1CCOCC1)c1ccccc1O2 ZINC000096242735 279455196 /nfs/dbraw/zinc/45/51/96/279455196.db2.gz QOXHMROPQIKQRN-GOSISDBHSA-N 2 1 348.462 3.083 40 0 EGABMP Cc1[nH+]ccn1Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC000096427197 454340558 /nfs/dbraw/zinc/34/05/58/454340558.db2.gz UICMZCRIEZLHII-LJQANCHMSA-N 2 1 340.471 3.441 40 0 EGABMP Cc1[nH+]ccn1Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC000096427197 454340565 /nfs/dbraw/zinc/34/05/65/454340565.db2.gz UICMZCRIEZLHII-LJQANCHMSA-N 2 1 340.471 3.441 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[N@@H+](Cc1ccccc1)C(C)C ZINC000079391074 454407012 /nfs/dbraw/zinc/40/70/12/454407012.db2.gz NOQGYEHQDWULFR-UFYCRDLUSA-N 2 1 345.531 3.308 40 0 EGABMP Cc1ccc(C[NH+]2CCC3(C[N@@H+](C)C[C@H]3COCC3CC3)CC2)o1 ZINC000248122994 455682695 /nfs/dbraw/zinc/68/26/95/455682695.db2.gz KRBGZWOZGCOUAA-SFHVURJKSA-N 2 1 332.488 3.158 40 0 EGABMP C[N@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000585102749 459823999 /nfs/dbraw/zinc/82/39/99/459823999.db2.gz CWGIEORXMUQOIH-QGZVFWFLSA-N 2 1 334.529 3.319 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[N@@H+](Cc1ccccc1)C1CC1 ZINC000079415961 280274722 /nfs/dbraw/zinc/27/47/22/280274722.db2.gz SHIQZZNATFIIEU-AQNXPRMDSA-N 2 1 343.515 3.062 40 0 EGABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)C1 ZINC000044913497 454126340 /nfs/dbraw/zinc/12/63/40/454126340.db2.gz UGNFZCIVUXREEA-GOSISDBHSA-N 2 1 343.515 3.134 40 0 EGABMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](CC1CCOCC1)CC2 ZINC000096051599 454273264 /nfs/dbraw/zinc/27/32/64/454273264.db2.gz ZVZIVEMSLMFUAB-IBGZPJMESA-N 2 1 332.488 3.383 40 0 EGABMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)s1)C2 ZINC000096218493 454306716 /nfs/dbraw/zinc/30/67/16/454306716.db2.gz FXTNJINXNBLFDT-MJGOQNOKSA-N 2 1 334.529 3.237 40 0 EGABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096218493 454306722 /nfs/dbraw/zinc/30/67/22/454306722.db2.gz FXTNJINXNBLFDT-MJGOQNOKSA-N 2 1 334.529 3.237 40 0 EGABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096218493 454306727 /nfs/dbraw/zinc/30/67/27/454306727.db2.gz FXTNJINXNBLFDT-MJGOQNOKSA-N 2 1 334.529 3.237 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)NC1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079415946 454411778 /nfs/dbraw/zinc/41/17/78/454411778.db2.gz JGEKEQILVNKWPR-QLOJAFMTSA-N 2 1 343.515 3.062 40 0 EGABMP Cc1cccc(NC2CC[NH+](C[C@@H](O)c3cccc(F)c3)CC2)[nH+]1 ZINC000077316499 202391846 /nfs/dbraw/zinc/39/18/46/202391846.db2.gz ZWQNRZHMVIMGQY-GOSISDBHSA-N 2 1 329.419 3.139 40 0 EGABMP c1cc2c(cccc2C[NH+]2CC3(C2)CC[C@H](C[NH+]2CCCC2)CO3)[nH]1 ZINC000248104482 243524660 /nfs/dbraw/zinc/52/46/60/243524660.db2.gz QFJUGKVWJPMJNG-QGZVFWFLSA-N 2 1 339.483 3.245 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000242538772 455271223 /nfs/dbraw/zinc/27/12/23/455271223.db2.gz JGEKEQILVNKWPR-BJLQDIEVSA-N 2 1 343.515 3.062 40 0 EGABMP COc1ccc([C@H](CNC(=[NH2+])NC2CCCC2)[NH+]2CCCCC2)cc1 ZINC000058064453 454163094 /nfs/dbraw/zinc/16/30/94/454163094.db2.gz PSXLFRPDHLAKTO-IBGZPJMESA-N 2 1 344.503 3.279 40 0 EGABMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C)s1)C2 ZINC000096218463 454307891 /nfs/dbraw/zinc/30/78/91/454307891.db2.gz FXTNJINXNBLFDT-HKUYNNGSSA-N 2 1 334.529 3.237 40 0 EGABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096218463 454307894 /nfs/dbraw/zinc/30/78/94/454307894.db2.gz FXTNJINXNBLFDT-HKUYNNGSSA-N 2 1 334.529 3.237 40 0 EGABMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096218463 454307898 /nfs/dbraw/zinc/30/78/98/454307898.db2.gz FXTNJINXNBLFDT-HKUYNNGSSA-N 2 1 334.529 3.237 40 0 EGABMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000225723920 535199614 /nfs/dbraw/zinc/19/96/14/535199614.db2.gz IXTPBBGJRCVTGM-UHFFFAOYSA-N 2 1 328.504 3.016 40 0 EGABMP FC(F)(F)CO[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000245289564 303115768 /nfs/dbraw/zinc/11/57/68/303115768.db2.gz CRVXSOWJFNCXPI-QKPAOTATSA-N 2 1 334.426 3.341 40 0 EGABMP CC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000133061355 323220554 /nfs/dbraw/zinc/22/05/54/323220554.db2.gz VCNPZRXRDLDBEX-LOTPSLMQSA-N 2 1 349.544 3.168 40 0 EGABMP CC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000133061355 323220556 /nfs/dbraw/zinc/22/05/56/323220556.db2.gz VCNPZRXRDLDBEX-LOTPSLMQSA-N 2 1 349.544 3.168 40 0 EGABMP C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@H]2[NH2+]CC[NH3+] ZINC000252462548 455805446 /nfs/dbraw/zinc/80/54/46/455805446.db2.gz UCLYPBSPTCWPOQ-BNNPQOHJSA-N 2 1 334.548 3.307 40 0 biogenic EGABMP CCOc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cc1 ZINC000596684516 459728339 /nfs/dbraw/zinc/72/83/39/459728339.db2.gz SOKAVLAGOWESPR-SFHVURJKSA-N 2 1 340.471 3.251 40 0 EGABMP C[C@H](CC[N@H+]1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1)c1ccccc1 ZINC000019455724 202009336 /nfs/dbraw/zinc/00/93/36/202009336.db2.gz MHPFOXIEDHMHNR-UZLBHIALSA-N 2 1 336.483 3.453 40 0 EGABMP Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@H](Cn2cc[nH+]c2C)C1 ZINC000019659015 202015604 /nfs/dbraw/zinc/01/56/04/202015604.db2.gz UYJOLYAYVHWBQF-SFHVURJKSA-N 2 1 337.471 3.368 40 0 EGABMP Cc1nc2cc(C)ccn2c1C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2C)C1 ZINC000019659015 202015607 /nfs/dbraw/zinc/01/56/07/202015607.db2.gz UYJOLYAYVHWBQF-SFHVURJKSA-N 2 1 337.471 3.368 40 0 EGABMP CC1(C)CC([N@H+](Cc2ccccn2)C[C@@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000036740496 202330347 /nfs/dbraw/zinc/33/03/47/202330347.db2.gz AOLJFMHOBITAEO-INIZCTEOSA-N 2 1 331.504 3.229 40 0 EGABMP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](CC2CCOCC2)CC3)c1 ZINC000096046534 454270305 /nfs/dbraw/zinc/27/03/05/454270305.db2.gz IRVXOYFGPQYGFL-UHFFFAOYSA-N 2 1 334.529 3.463 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[N@@H+](Cc1ccccc1)C(C)C ZINC000079391076 454406993 /nfs/dbraw/zinc/40/69/93/454406993.db2.gz NOQGYEHQDWULFR-ZCNNSNEGSA-N 2 1 345.531 3.308 40 0 EGABMP CC1(C)CC([N@H+](Cc2cccnc2)C[C@@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000036740533 202330549 /nfs/dbraw/zinc/33/05/49/202330549.db2.gz ZNPDZBXOURCDQN-KRWDZBQOSA-N 2 1 331.504 3.229 40 0 EGABMP C[N@H+](Cc1ccccn1)[C@H]1CCC[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC000096183045 454298506 /nfs/dbraw/zinc/29/85/06/454298506.db2.gz OQPMANAZTODYKP-GIVPXCGWSA-N 2 1 336.483 3.209 40 0 EGABMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC000096183045 454298508 /nfs/dbraw/zinc/29/85/08/454298508.db2.gz OQPMANAZTODYKP-GIVPXCGWSA-N 2 1 336.483 3.209 40 0 EGABMP C[NH+](Cc1ccccn1)[C@H]1CCC[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096183045 454298512 /nfs/dbraw/zinc/29/85/12/454298512.db2.gz OQPMANAZTODYKP-GIVPXCGWSA-N 2 1 336.483 3.209 40 0 EGABMP C[NH+](Cc1ccccn1)[C@H]1CCC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096183045 454298514 /nfs/dbraw/zinc/29/85/14/454298514.db2.gz OQPMANAZTODYKP-GIVPXCGWSA-N 2 1 336.483 3.209 40 0 EGABMP C[NH+](C)[C@H]1CCO[C@]2(CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096218315 454307727 /nfs/dbraw/zinc/30/77/27/454307727.db2.gz WZBKJHDAOLESMV-WMLDXEAASA-N 2 1 326.843 3.164 40 0 EGABMP C[NH+](C)[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096218315 454307730 /nfs/dbraw/zinc/30/77/30/454307730.db2.gz WZBKJHDAOLESMV-WMLDXEAASA-N 2 1 326.843 3.164 40 0 EGABMP FC(F)(F)c1c[nH]c(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000097103371 454407051 /nfs/dbraw/zinc/40/70/51/454407051.db2.gz OYHKNDJBVPBNPW-UHFFFAOYSA-N 2 1 344.425 3.484 40 0 EGABMP CCc1nnc(CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000252584909 455822438 /nfs/dbraw/zinc/82/24/38/455822438.db2.gz DSVBGXQXCLBIEQ-QWHZDKJVSA-N 2 1 344.528 3.347 40 0 EGABMP CC(=O)Nc1cccc(C[NH+]2CCC(Nc3cccc(C)[nH+]3)CC2)c1 ZINC000077316491 202391665 /nfs/dbraw/zinc/39/16/65/202391665.db2.gz BPYHOHSGMUKWPS-UHFFFAOYSA-N 2 1 338.455 3.425 40 0 EGABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072379054 203211169 /nfs/dbraw/zinc/21/11/69/203211169.db2.gz YSFTUYYNDGVBFN-KRWDZBQOSA-N 2 1 333.439 3.350 40 0 EGABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072379054 203211173 /nfs/dbraw/zinc/21/11/73/203211173.db2.gz YSFTUYYNDGVBFN-KRWDZBQOSA-N 2 1 333.439 3.350 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(C)C ZINC000079404723 280271751 /nfs/dbraw/zinc/27/17/51/280271751.db2.gz CTWWLNINKDQWDL-PMACEKPBSA-N 2 1 345.531 3.261 40 0 EGABMP COC[C@@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000096051759 454272975 /nfs/dbraw/zinc/27/29/75/454272975.db2.gz JPOACAZTTNCJSI-IBGZPJMESA-N 2 1 346.515 3.407 40 0 EGABMP C[N@@H+](Cc1cccnc1)C[C@H]1CC12CC[NH+](Cc1nccs1)CC2 ZINC000096238319 454310656 /nfs/dbraw/zinc/31/06/56/454310656.db2.gz YFOJHPXRILZTBA-QGZVFWFLSA-N 2 1 342.512 3.272 40 0 EGABMP C[N@H+](Cc1cccnc1)C[C@H]1CC12CC[NH+](Cc1nccs1)CC2 ZINC000096238319 454310659 /nfs/dbraw/zinc/31/06/59/454310659.db2.gz YFOJHPXRILZTBA-QGZVFWFLSA-N 2 1 342.512 3.272 40 0 EGABMP COC[C@@H]1C[N@@H+](Cc2csc(C)n2)CC12CC[NH+](C(C)C)CC2 ZINC000585103807 459824249 /nfs/dbraw/zinc/82/42/49/459824249.db2.gz RPFRLWICVJCGGY-INIZCTEOSA-N 2 1 337.533 3.020 40 0 EGABMP C[NH+](C)Cc1cc(C[C@@H]2C[C@H]([NH2+]Cc3ccccc3)C2(C)C)no1 ZINC000072320757 216149265 /nfs/dbraw/zinc/14/92/65/216149265.db2.gz GJDKSTSSCYIXLA-APWZRJJASA-N 2 1 327.472 3.483 40 0 biogenic,in-vitro EGABMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[N@@H+](Cc1ccccc1)C(C)C ZINC000079391075 217217057 /nfs/dbraw/zinc/21/70/57/217217057.db2.gz NOQGYEHQDWULFR-AQNXPRMDSA-N 2 1 345.531 3.308 40 0 EGABMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(C)(C)c1ccc(Cl)cc1 ZINC000022581699 453694632 /nfs/dbraw/zinc/69/46/32/453694632.db2.gz DJDCWJOMQNEEAI-UHFFFAOYSA-N 2 1 337.939 3.187 40 0 EGABMP c1ccc(C[N@H+]2CCCC[C@H]2c2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC000072216309 454273755 /nfs/dbraw/zinc/27/37/55/454273755.db2.gz DIADBPAAACHMEZ-FQEVSTJZSA-N 2 1 336.483 3.218 40 0 EGABMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000090723576 454337546 /nfs/dbraw/zinc/33/75/46/454337546.db2.gz DRGLEBUWCZBKTR-WWMYMODYSA-N 2 1 346.515 3.201 40 0 EGABMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1C[NH+]1CCCC1 ZINC000096491550 454368534 /nfs/dbraw/zinc/36/85/34/454368534.db2.gz IACTURIARCDKFI-MRXNPFEDSA-N 3 1 331.504 3.036 40 0 EGABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000247849481 455650111 /nfs/dbraw/zinc/65/01/11/455650111.db2.gz OBDSXHLQKCXSKS-GOSISDBHSA-N 2 1 344.455 3.233 40 0 EGABMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000195553912 455984135 /nfs/dbraw/zinc/98/41/35/455984135.db2.gz PAXSWWDWSTWKIY-UHIISALHSA-N 2 1 344.425 3.338 40 0 EGABMP C[C@H](O)[C@@]12C[NH2+][C@@H](c3ccccc3)[C@@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000248382117 1296411292 /nfs/dbraw/zinc/41/12/92/1296411292.db2.gz VYLVOHNDVSEGOP-AGOPTVSRSA-N 2 1 336.479 3.220 40 0 EGABMP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1 ZINC000072395188 216192588 /nfs/dbraw/zinc/19/25/88/216192588.db2.gz JHGHYCRXMWPSCN-ZWKOTPCHSA-N 2 1 326.488 3.181 40 0 EGABMP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2CCOc2ccccc2)n1 ZINC000257202819 244123372 /nfs/dbraw/zinc/12/33/72/244123372.db2.gz ANOPCTOSGDBELV-IBGZPJMESA-N 2 1 340.471 3.063 40 0 EGABMP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2CCOc2ccccc2)n1 ZINC000257202819 244123376 /nfs/dbraw/zinc/12/33/76/244123376.db2.gz ANOPCTOSGDBELV-IBGZPJMESA-N 2 1 340.471 3.063 40 0 EGABMP C[C@](O)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccs1 ZINC000095422984 218364915 /nfs/dbraw/zinc/36/49/15/218364915.db2.gz QLWWFMZHSRRYKW-FQEVSTJZSA-N 2 1 344.524 3.252 40 0 EGABMP COC[C@@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1scnc1C)CC2 ZINC000096206568 454304649 /nfs/dbraw/zinc/30/46/49/454304649.db2.gz HMORYCYXHVTLFR-INIZCTEOSA-N 2 1 337.533 3.163 40 0 EGABMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000195557274 455984845 /nfs/dbraw/zinc/98/48/45/455984845.db2.gz WSVZFJVBUTWITC-CEXWTWQISA-N 2 1 349.563 3.410 40 0 EGABMP NC(=[NH2+])c1ccc2oc(C=Cc3nc4ccc(C(N)=[NH2+])cc4[nH]3)cc2c1 ZINC000005974293 210570565 /nfs/dbraw/zinc/57/05/65/210570565.db2.gz OOKWWPFCCCMWIS-ZZXKWVIFSA-N 2 1 344.378 3.048 40 0 in-vivo EGABMP COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1ccccc1 ZINC000008373860 453197561 /nfs/dbraw/zinc/19/75/61/453197561.db2.gz BXUJTTKNKMBPGL-UHFFFAOYSA-N 2 1 328.456 3.316 40 0 EGABMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096048001 454271841 /nfs/dbraw/zinc/27/18/41/454271841.db2.gz RHNJGEROFFUWCM-KRWDZBQOSA-N 2 1 330.428 3.128 40 0 EGABMP COC[C@H]1CC2(C[N@H+]1Cc1csc(C)n1)CC[NH+](CC1CC1)CC2 ZINC000096240357 454311713 /nfs/dbraw/zinc/31/17/13/454311713.db2.gz NEQQWLCRQGXVHS-GOSISDBHSA-N 2 1 349.544 3.164 40 0 EGABMP C[NH+]1CCN(c2ncccc2[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000072216572 454274093 /nfs/dbraw/zinc/27/40/93/454274093.db2.gz BYMDSLYMXAZQPL-HXUWFJFHSA-N 2 1 336.483 3.171 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[N@@H+](Cc1ccccc1)C(C)C ZINC000079415909 454411494 /nfs/dbraw/zinc/41/14/94/454411494.db2.gz NQYRQKSOZFSDLG-UXHICEINSA-N 2 1 345.531 3.261 40 0 EGABMP C[N@@H+](C[C@@H]1CO[C@]2(C1)CCC[NH+](CCc1ccccc1)C2)C1CC1 ZINC000248090555 455680475 /nfs/dbraw/zinc/68/04/75/455680475.db2.gz XQAZPTWCEAUBDZ-CTNGQTDRSA-N 2 1 328.500 3.194 40 0 EGABMP C[NH+](C[C@@H]1CO[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2)C1CC1 ZINC000248090555 455680478 /nfs/dbraw/zinc/68/04/78/455680478.db2.gz XQAZPTWCEAUBDZ-CTNGQTDRSA-N 2 1 328.500 3.194 40 0 EGABMP C[NH+](C[C@@H]1CO[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2)C1CC1 ZINC000248090555 455680480 /nfs/dbraw/zinc/68/04/80/455680480.db2.gz XQAZPTWCEAUBDZ-CTNGQTDRSA-N 2 1 328.500 3.194 40 0 EGABMP C[C@H](CC[N@H+]1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1)c1ccccc1 ZINC000248235432 455700555 /nfs/dbraw/zinc/70/05/55/455700555.db2.gz MHPFOXIEDHMHNR-OXQOHEQNSA-N 2 1 336.483 3.453 40 0 EGABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](C1CCCC1)CC2 ZINC000585103859 459824473 /nfs/dbraw/zinc/82/44/73/459824473.db2.gz SFEWJZAOFNPITN-QGZVFWFLSA-N 2 1 332.488 3.383 40 0 EGABMP C[N@@H+](C[C@H]1CO[C@@]2(C1)CCC[NH+](CCc1ccccc1)C2)C1CC1 ZINC000096075655 454280017 /nfs/dbraw/zinc/28/00/17/454280017.db2.gz XQAZPTWCEAUBDZ-PZJWPPBQSA-N 2 1 328.500 3.194 40 0 EGABMP C[NH+](C[C@H]1CO[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2)C1CC1 ZINC000096075655 454280021 /nfs/dbraw/zinc/28/00/21/454280021.db2.gz XQAZPTWCEAUBDZ-PZJWPPBQSA-N 2 1 328.500 3.194 40 0 EGABMP C[NH+](C[C@H]1CO[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2)C1CC1 ZINC000096075655 454280023 /nfs/dbraw/zinc/28/00/23/454280023.db2.gz XQAZPTWCEAUBDZ-PZJWPPBQSA-N 2 1 328.500 3.194 40 0 EGABMP COc1ccccc1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000252586149 455823048 /nfs/dbraw/zinc/82/30/48/455823048.db2.gz NUZPKECEMMKQQK-FTEYMNFISA-N 2 1 346.515 3.278 40 0 EGABMP COc1ccc(C[N@H+]2CCOC[C@@H](CC[NH+]3CCCC3)[C@@H]2C)cc1 ZINC000306139438 456568000 /nfs/dbraw/zinc/56/80/00/456568000.db2.gz SXFDQKFJTQUJEL-PKOBYXMFSA-N 2 1 332.488 3.018 40 0 EGABMP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2CCc2ccc(F)cc2)n1 ZINC000257215395 244163221 /nfs/dbraw/zinc/16/32/21/244163221.db2.gz CPYFTDCSGHUIJD-IBGZPJMESA-N 2 1 342.462 3.365 40 0 EGABMP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2CCc2ccc(F)cc2)n1 ZINC000257215395 244163228 /nfs/dbraw/zinc/16/32/28/244163228.db2.gz CPYFTDCSGHUIJD-IBGZPJMESA-N 2 1 342.462 3.365 40 0 EGABMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1N(C)C ZINC000096477959 278254464 /nfs/dbraw/zinc/25/44/64/278254464.db2.gz LKZOPQAXVQNFDE-HOTGVXAUSA-N 2 1 349.494 3.043 40 0 EGABMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2c(C)noc2C)CC1 ZINC000088693246 454116353 /nfs/dbraw/zinc/11/63/53/454116353.db2.gz PAJIGPPPUZJDGX-UHFFFAOYSA-N 2 1 342.487 3.113 40 0 EGABMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](C[C@H]4CCOC4)C3)CC2)c1 ZINC000096062889 454277951 /nfs/dbraw/zinc/27/79/51/454277951.db2.gz VBGXKGYQAMDWDB-LJQANCHMSA-N 2 1 344.499 3.020 40 0 EGABMP COC[C@H]1C[N@@H+](Cc2csc(C)n2)CC12CC[NH+](C1CCC1)CC2 ZINC000585102739 459824113 /nfs/dbraw/zinc/82/41/13/459824113.db2.gz CPAUKTVCCDWDCL-MRXNPFEDSA-N 2 1 349.544 3.164 40 0 EGABMP CNc1ccc(C)cc1C[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000902207948 1317544613 /nfs/dbraw/zinc/54/46/13/1317544613.db2.gz CPTVUIKCXJJPRA-GOSISDBHSA-N 2 1 339.487 3.202 40 0 EGABMP C[N@@H+](CCSc1ccccc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000095398355 218331097 /nfs/dbraw/zinc/33/10/97/218331097.db2.gz ATOILTXTIUMCNM-UHFFFAOYSA-N 2 1 334.529 3.354 40 0 EGABMP COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCCc1ccccc1 ZINC000007540133 453085262 /nfs/dbraw/zinc/08/52/62/453085262.db2.gz ITHRXQALSHHLFE-UHFFFAOYSA-N 2 1 342.483 3.358 40 0 EGABMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CCCCc2ccccc2)c1 ZINC000017418881 453635081 /nfs/dbraw/zinc/63/50/81/453635081.db2.gz HIMYFSLMYAONKN-UHFFFAOYSA-N 2 1 349.482 3.438 40 0 EGABMP COC[C@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000096051758 454273084 /nfs/dbraw/zinc/27/30/84/454273084.db2.gz JPOACAZTTNCJSI-LJQANCHMSA-N 2 1 346.515 3.407 40 0 EGABMP C[NH+]1CCN(c2ccc([C@H]3CCC[N@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216512 454273450 /nfs/dbraw/zinc/27/34/50/454273450.db2.gz OYOLBOTZYZOWTI-HXUWFJFHSA-N 2 1 336.483 3.171 40 0 EGABMP c1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2N2CC[NH2+]CC2)cc1 ZINC000072216369 454274190 /nfs/dbraw/zinc/27/41/90/454274190.db2.gz QZLMWDVOBILXFU-FQEVSTJZSA-N 2 1 336.483 3.218 40 0 EGABMP CCC[NH+]1CCC(NC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)CC1 ZINC000096403379 454322728 /nfs/dbraw/zinc/32/27/28/454322728.db2.gz UEWUREYFGAYKNZ-UHFFFAOYSA-N 2 1 343.515 3.275 40 0 EGABMP CC(C)[N@H+]1CCOC[C@@]2(CC[C@H](C[NH2+]C[C@H](C)c3ccccc3)O2)C1 ZINC000248163860 455692490 /nfs/dbraw/zinc/69/24/90/455692490.db2.gz NBLPXLWSQCHNKV-CEWLAPEOSA-N 2 1 346.515 3.038 40 0 EGABMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000195557277 455984870 /nfs/dbraw/zinc/98/48/70/455984870.db2.gz WSVZFJVBUTWITC-GUDVDZBRSA-N 2 1 349.563 3.410 40 0 EGABMP CCOC(=O)[C@H](C[NH3+])[C@]1([NH+]2CCCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216352026 456029100 /nfs/dbraw/zinc/02/91/00/456029100.db2.gz YDFIKGOBEHXAQA-CPLUKWAASA-N 2 1 336.520 3.195 40 0 EGABMP C[C@H](CC[N@H+]1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1)c1ccccc1 ZINC000248241377 455700616 /nfs/dbraw/zinc/70/06/16/455700616.db2.gz OOFAILVYZMZMAE-AEFFLSMTSA-N 2 1 336.483 3.105 40 0 EGABMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](CC1CCOCC1)CC2 ZINC000096051598 454272870 /nfs/dbraw/zinc/27/28/70/454272870.db2.gz ZVZIVEMSLMFUAB-LJQANCHMSA-N 2 1 332.488 3.383 40 0 EGABMP C[N@@H+](Cc1ccccn1)C1CC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096159262 454295292 /nfs/dbraw/zinc/29/52/92/454295292.db2.gz CTIJFPAWJIAPDT-UHFFFAOYSA-N 2 1 336.483 3.353 40 0 EGABMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000096489097 454368847 /nfs/dbraw/zinc/36/88/47/454368847.db2.gz ANSOOMIMEOGEIE-UHFFFAOYSA-N 2 1 325.412 3.128 40 0 EGABMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000096489097 454368849 /nfs/dbraw/zinc/36/88/49/454368849.db2.gz ANSOOMIMEOGEIE-UHFFFAOYSA-N 2 1 325.412 3.128 40 0 EGABMP COc1ccccc1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000252586148 455822906 /nfs/dbraw/zinc/82/29/06/455822906.db2.gz NUZPKECEMMKQQK-AJYBTWMASA-N 2 1 346.515 3.278 40 0 EGABMP c1cc2n(n1)C[C@H](CNc1ccccn1)C[N@@H+](Cc1ccccc1)C2 ZINC000248133475 455685770 /nfs/dbraw/zinc/68/57/70/455685770.db2.gz YGJIZHVVHQRZGF-GOSISDBHSA-N 2 1 333.439 3.022 40 0 EGABMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc[nH]c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000585141363 459829933 /nfs/dbraw/zinc/82/99/33/459829933.db2.gz UNSFVKAQYZODTA-APWZRJJASA-N 2 1 325.456 3.272 40 0 EGABMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc[nH]c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000585141363 459829938 /nfs/dbraw/zinc/82/99/38/459829938.db2.gz UNSFVKAQYZODTA-APWZRJJASA-N 2 1 325.456 3.272 40 0 EGABMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc[nH]c(=O)c2)CC[NH+]1Cc1ccccc1 ZINC000585141363 459829941 /nfs/dbraw/zinc/82/99/41/459829941.db2.gz UNSFVKAQYZODTA-APWZRJJASA-N 2 1 325.456 3.272 40 0 EGABMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc[nH]c(=O)c2)CC[NH+]1Cc1ccccc1 ZINC000585141363 459829946 /nfs/dbraw/zinc/82/99/46/459829946.db2.gz UNSFVKAQYZODTA-APWZRJJASA-N 2 1 325.456 3.272 40 0 EGABMP c1cc2c(cccc2C[NH+]2CC3(C2)CC[C@@H](C[NH+]2CCCC2)CO3)[nH]1 ZINC000248104480 455681489 /nfs/dbraw/zinc/68/14/89/455681489.db2.gz QFJUGKVWJPMJNG-KRWDZBQOSA-N 2 1 339.483 3.245 40 0 EGABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)C1 ZINC000044913501 454126592 /nfs/dbraw/zinc/12/65/92/454126592.db2.gz UGNFZCIVUXREEA-SFHVURJKSA-N 2 1 343.515 3.134 40 0 EGABMP COC[C@@H]1CC2(C[N@H+]1Cc1csc(C)n1)CC[NH+](CC1CC1)CC2 ZINC000096240358 454312048 /nfs/dbraw/zinc/31/20/48/454312048.db2.gz NEQQWLCRQGXVHS-SFHVURJKSA-N 2 1 349.544 3.164 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](Cc1ccccc1)C1CC1 ZINC000079415949 454411324 /nfs/dbraw/zinc/41/13/24/454411324.db2.gz SHIQZZNATFIIEU-AABGKKOBSA-N 2 1 343.515 3.062 40 0 EGABMP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2CCc2ccc(F)cc2)n1 ZINC000257215396 455879931 /nfs/dbraw/zinc/87/99/31/455879931.db2.gz CPYFTDCSGHUIJD-LJQANCHMSA-N 2 1 342.462 3.365 40 0 EGABMP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2CCc2ccc(F)cc2)n1 ZINC000257215396 455879937 /nfs/dbraw/zinc/87/99/37/455879937.db2.gz CPYFTDCSGHUIJD-LJQANCHMSA-N 2 1 342.462 3.365 40 0 EGABMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 ZINC000009861942 211128257 /nfs/dbraw/zinc/12/82/57/211128257.db2.gz QUWLSGPWMDGNIT-HRAATJIYSA-N 2 1 340.467 3.068 40 0 EGABMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CSc2ccccc2)c1 ZINC000001587054 452670490 /nfs/dbraw/zinc/67/04/90/452670490.db2.gz HDYMWGSIFNKZLQ-UHFFFAOYSA-N 2 1 339.468 3.164 40 0 in-vitro EGABMP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000096484348 454366000 /nfs/dbraw/zinc/36/60/00/454366000.db2.gz YKNYBBXOYYPXBJ-ZWKOTPCHSA-N 2 1 330.472 3.358 40 0 EGABMP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000096484348 454366004 /nfs/dbraw/zinc/36/60/04/454366004.db2.gz YKNYBBXOYYPXBJ-ZWKOTPCHSA-N 2 1 330.472 3.358 40 0 EGABMP COc1ccccc1[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192731607 455681303 /nfs/dbraw/zinc/68/13/03/455681303.db2.gz XTRNFXAXXTWGNE-FQEVSTJZSA-N 2 1 345.531 3.248 40 0 EGABMP COc1ccccc1[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000252586150 455822772 /nfs/dbraw/zinc/82/27/72/455822772.db2.gz NUZPKECEMMKQQK-SOAMZJECSA-N 2 1 346.515 3.278 40 0 EGABMP C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@H]2[NH2+]CC[NH3+] ZINC000253531187 455851341 /nfs/dbraw/zinc/85/13/41/455851341.db2.gz UCLYPBSPTCWPOQ-GAJPOIFQSA-N 2 1 334.548 3.307 40 0 biogenic EGABMP C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(C[NH+](CC3CCCC3)C2)OC1 ZINC000585104940 459825059 /nfs/dbraw/zinc/82/50/59/459825059.db2.gz MQGNAMOURQFESF-FQEVSTJZSA-N 2 1 343.515 3.185 40 0 EGABMP C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[NH2+]CC[NH3+] ZINC000118918954 221204260 /nfs/dbraw/zinc/20/42/60/221204260.db2.gz UCLYPBSPTCWPOQ-LWYCANNGSA-N 2 1 334.548 3.307 40 0 EGABMP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+](C2CCCC2)CC1 ZINC000479911046 459172784 /nfs/dbraw/zinc/17/27/84/459172784.db2.gz MPNJTJHPPROJQJ-UHFFFAOYSA-N 2 1 329.419 3.447 40 0 EGABMP CC(C)c1ccc(C[N@@H+]2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)cc1 ZINC000019453302 212027897 /nfs/dbraw/zinc/02/78/97/212027897.db2.gz OLZQPASQMAOHBG-SFHVURJKSA-N 2 1 336.483 3.235 40 0 EGABMP CC(C)c1ccc(C[N@H+]2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)cc1 ZINC000019453302 212027903 /nfs/dbraw/zinc/02/79/03/212027903.db2.gz OLZQPASQMAOHBG-SFHVURJKSA-N 2 1 336.483 3.235 40 0 EGABMP COc1ccc([C@@H](CNC(=[NH2+])NC2CCCC2)[NH+]2CCCCC2)cc1 ZINC000058064450 454163045 /nfs/dbraw/zinc/16/30/45/454163045.db2.gz PSXLFRPDHLAKTO-LJQANCHMSA-N 2 1 344.503 3.279 40 0 EGABMP Cn1ccnc1C[NH+]1CCC2(CC([N@@H+](C)Cc3cccs3)C2)CC1 ZINC000096063168 454279064 /nfs/dbraw/zinc/27/90/64/454279064.db2.gz WUIVYFOAKOWNBH-UHFFFAOYSA-N 2 1 344.528 3.358 40 0 EGABMP CC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000250119951 455785774 /nfs/dbraw/zinc/78/57/74/455785774.db2.gz VCNPZRXRDLDBEX-BOMAWHNGSA-N 2 1 349.544 3.168 40 0 EGABMP CC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000250119951 455785776 /nfs/dbraw/zinc/78/57/76/455785776.db2.gz VCNPZRXRDLDBEX-BOMAWHNGSA-N 2 1 349.544 3.168 40 0 EGABMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc(C)c1O ZINC000252536803 455820955 /nfs/dbraw/zinc/82/09/55/455820955.db2.gz JPDFASFMXVBQCQ-YZGWKJHDSA-N 2 1 346.515 3.031 40 0 EGABMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000253370823 455836322 /nfs/dbraw/zinc/83/63/22/455836322.db2.gz WSVZFJVBUTWITC-QYZOEREBSA-N 2 1 349.563 3.410 40 0 EGABMP C[N@@H+](Cc1ccccc1CNC(=O)C1CC[NH2+]CC1)C1CCCCC1 ZINC000195543766 455982089 /nfs/dbraw/zinc/98/20/89/455982089.db2.gz MTNJTWXEVXDTDO-UHFFFAOYSA-N 2 1 343.515 3.067 40 0 EGABMP Cc1[nH+]ccn1-c1nccnc1C1CC[NH+](CCc2ccccc2)CC1 ZINC000072350540 216162572 /nfs/dbraw/zinc/16/25/72/216162572.db2.gz XBHWPRUXRLAWKM-UHFFFAOYSA-N 2 1 347.466 3.393 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](Cc1ccccc1)C(C)C ZINC000079391072 217217596 /nfs/dbraw/zinc/21/75/96/217217596.db2.gz NOQGYEHQDWULFR-AABGKKOBSA-N 2 1 345.531 3.308 40 0 EGABMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnc(N3CCCCC3)nc2)CC1 ZINC000057811518 454148276 /nfs/dbraw/zinc/14/82/76/454148276.db2.gz OWPBNAZMZPBPGC-UHFFFAOYSA-N 2 1 345.535 3.019 40 0 EGABMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](C[C@@H]4CCOC4)C3)CC2)c1 ZINC000096062888 454278154 /nfs/dbraw/zinc/27/81/54/454278154.db2.gz VBGXKGYQAMDWDB-IBGZPJMESA-N 2 1 344.499 3.020 40 0 EGABMP C[N@@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC000096220901 454308417 /nfs/dbraw/zinc/30/84/17/454308417.db2.gz KJSFYPNDNXZLHY-FQEVSTJZSA-N 2 1 343.515 3.327 40 0 EGABMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccc(Cl)cc1 ZINC000150759672 454887786 /nfs/dbraw/zinc/88/77/86/454887786.db2.gz UMQGJAIKDMWZRC-OAHLLOKOSA-N 2 1 335.879 3.086 40 0 EGABMP CCOc1ccccc1CN1CCC[C@H]1c1nccc(CN(C)C)n1 ZINC000257301984 455887053 /nfs/dbraw/zinc/88/70/53/455887053.db2.gz SAWYUFBTEUGMNQ-SFHVURJKSA-N 2 1 340.471 3.274 40 0 EGABMP Cc1cc(N2CCC([NH2+][C@@H]3CCc4ccccc4C3)CC2)nc(C)[nH+]1 ZINC000095423617 218366421 /nfs/dbraw/zinc/36/64/21/218366421.db2.gz FNXJOYSBKJOHNJ-HXUWFJFHSA-N 2 1 336.483 3.209 40 0 EGABMP COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1ccccc1F ZINC000008373862 453197670 /nfs/dbraw/zinc/19/76/70/453197670.db2.gz HIUPCAQZOXBSOE-UHFFFAOYSA-N 2 1 346.446 3.455 40 0 EGABMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(F)c1)C2 ZINC000096220706 454308664 /nfs/dbraw/zinc/30/86/64/454308664.db2.gz QOORRGIOAFSQPD-QUCCMNQESA-N 2 1 332.463 3.006 40 0 EGABMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(F)c1)C2 ZINC000096220706 454308670 /nfs/dbraw/zinc/30/86/70/454308670.db2.gz QOORRGIOAFSQPD-QUCCMNQESA-N 2 1 332.463 3.006 40 0 EGABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(F)c1)C2 ZINC000096220706 454308675 /nfs/dbraw/zinc/30/86/75/454308675.db2.gz QOORRGIOAFSQPD-QUCCMNQESA-N 2 1 332.463 3.006 40 0 EGABMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000096220706 454308680 /nfs/dbraw/zinc/30/86/80/454308680.db2.gz QOORRGIOAFSQPD-QUCCMNQESA-N 2 1 332.463 3.006 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000079415926 454411657 /nfs/dbraw/zinc/41/16/57/454411657.db2.gz NNFKSZFXRBHDER-PMACEKPBSA-N 2 1 343.515 3.015 40 0 EGABMP C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@@H]2[NH2+]CC[NH3+] ZINC000252462549 455805534 /nfs/dbraw/zinc/80/55/34/455805534.db2.gz UCLYPBSPTCWPOQ-FLFMNZAJSA-N 2 1 334.548 3.307 40 0 biogenic EGABMP C[N@H+](Cc1cccnc1)C[C@H]1CCC2(C[NH+](CC3CCCC3)C2)OC1 ZINC000585104942 459825198 /nfs/dbraw/zinc/82/51/98/459825198.db2.gz MQGNAMOURQFESF-HXUWFJFHSA-N 2 1 343.515 3.185 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000079404732 217220415 /nfs/dbraw/zinc/22/04/15/217220415.db2.gz YTJQUBBWFAJGCS-UXHICEINSA-N 2 1 345.531 3.119 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)NC1CCC([N@@H+](Cc2ccccc2)C(C)C)CC1 ZINC000079391068 217217509 /nfs/dbraw/zinc/21/75/09/217217509.db2.gz KDBUBLSKJNCTJU-MHJFOBGBSA-N 2 1 345.531 3.308 40 0 EGABMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 ZINC000009861946 211128280 /nfs/dbraw/zinc/12/82/80/211128280.db2.gz QUWLSGPWMDGNIT-IIBYNOLFSA-N 2 1 340.467 3.068 40 0 EGABMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H](O)c1ccc(O)cc1 ZINC000009861935 211128135 /nfs/dbraw/zinc/12/81/35/211128135.db2.gz QUWLSGPWMDGNIT-KKSFZXQISA-N 2 1 340.467 3.068 40 0 EGABMP Cc1ccc2c(c1)C[N@H+](Cc1ccncc1)CC1(CC[NH+](C)CC1)O2 ZINC000072394184 281071560 /nfs/dbraw/zinc/07/15/60/281071560.db2.gz GXBWSFATXQDAHE-UHFFFAOYSA-N 2 1 337.467 3.249 40 0 EGABMP C[NH2+]CCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000008377233 453198994 /nfs/dbraw/zinc/19/89/94/453198994.db2.gz BIXURFCFEZTSOB-UHFFFAOYSA-N 2 1 332.419 3.112 40 0 EGABMP CC(=O)[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000095951351 454237316 /nfs/dbraw/zinc/23/73/16/454237316.db2.gz NAQDPPKYOPYIBF-VSKRKVRLSA-N 2 1 334.463 3.428 40 0 biogenic EGABMP CC(=O)[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000095951351 454237321 /nfs/dbraw/zinc/23/73/21/454237321.db2.gz NAQDPPKYOPYIBF-VSKRKVRLSA-N 2 1 334.463 3.428 40 0 biogenic EGABMP c1csc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccn2)CC3)n1 ZINC000096047198 454269533 /nfs/dbraw/zinc/26/95/33/454269533.db2.gz VSAPSQQCWBSETJ-UHFFFAOYSA-N 2 1 342.512 3.416 40 0 EGABMP Cc1ccc(C[NH+]2CC[C@H]3CO[C@H](C[N@H+](C)Cc4ccco4)[C@H]3C2)o1 ZINC000096056296 454274995 /nfs/dbraw/zinc/27/49/95/454274995.db2.gz SUOVYLXQAPOCBZ-FFZOFVMBSA-N 2 1 344.455 3.150 40 0 EGABMP Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+](C)Cc4ccco4)[C@H]3C2)o1 ZINC000096056296 454275000 /nfs/dbraw/zinc/27/50/00/454275000.db2.gz SUOVYLXQAPOCBZ-FFZOFVMBSA-N 2 1 344.455 3.150 40 0 EGABMP Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+](C)Cc4ccco4)[C@H]3C2)o1 ZINC000096056296 454275004 /nfs/dbraw/zinc/27/50/04/454275004.db2.gz SUOVYLXQAPOCBZ-FFZOFVMBSA-N 2 1 344.455 3.150 40 0 EGABMP C[NH+]1CCC([N@@H+]2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000049169431 454537567 /nfs/dbraw/zinc/53/75/67/454537567.db2.gz PFZJKDIVITVONW-AWEZNQCLSA-N 2 1 346.862 3.274 40 0 biogenic,in-vitro EGABMP C[NH+]1CCC([N@H+]2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000049169431 454537573 /nfs/dbraw/zinc/53/75/73/454537573.db2.gz PFZJKDIVITVONW-AWEZNQCLSA-N 2 1 346.862 3.274 40 0 biogenic,in-vitro EGABMP Cc1ncsc1C[NH+]1CCC2(C[N@@H+](C)C[C@H]2COCC2CC2)CC1 ZINC000585102655 459824225 /nfs/dbraw/zinc/82/42/25/459824225.db2.gz ABSUOFCCRYORMA-KRWDZBQOSA-N 2 1 349.544 3.022 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404784 217220147 /nfs/dbraw/zinc/22/01/47/217220147.db2.gz OMSGEDAVEHNOTB-PMACEKPBSA-N 2 1 343.515 3.015 40 0 EGABMP C[NH+]1CCN(c2ncccc2[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000072216571 257688217 /nfs/dbraw/zinc/68/82/17/257688217.db2.gz BYMDSLYMXAZQPL-FQEVSTJZSA-N 2 1 336.483 3.171 40 0 EGABMP C[N@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000585104251 459824344 /nfs/dbraw/zinc/82/43/44/459824344.db2.gz XHXKJSCUBTUAHP-SFHVURJKSA-N 2 1 334.529 3.319 40 0 EGABMP C[C@H]1C[C@@H]([NH+](C)Cc2cc[nH]c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000585141365 459830039 /nfs/dbraw/zinc/83/00/39/459830039.db2.gz UNSFVKAQYZODTA-LPHOPBHVSA-N 2 1 325.456 3.272 40 0 EGABMP C[C@H]1C[C@@H]([NH+](C)Cc2cc[nH]c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000585141365 459830041 /nfs/dbraw/zinc/83/00/41/459830041.db2.gz UNSFVKAQYZODTA-LPHOPBHVSA-N 2 1 325.456 3.272 40 0 EGABMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc[nH]c(=O)c2)CC[NH+]1Cc1ccccc1 ZINC000585141365 459830046 /nfs/dbraw/zinc/83/00/46/459830046.db2.gz UNSFVKAQYZODTA-LPHOPBHVSA-N 2 1 325.456 3.272 40 0 EGABMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc[nH]c(=O)c2)CC[NH+]1Cc1ccccc1 ZINC000585141365 459830049 /nfs/dbraw/zinc/83/00/49/459830049.db2.gz UNSFVKAQYZODTA-LPHOPBHVSA-N 2 1 325.456 3.272 40 0 EGABMP CC1(C)CC([N@H+](Cc2cccnc2)C[C@H]2CCOC2)CC(C)(C)[NH2+]1 ZINC000036740534 213114253 /nfs/dbraw/zinc/11/42/53/213114253.db2.gz ZNPDZBXOURCDQN-QGZVFWFLSA-N 2 1 331.504 3.229 40 0 EGABMP CC(C)c1ccc(C[N@@H+]2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)cc1 ZINC000019453300 212028468 /nfs/dbraw/zinc/02/84/68/212028468.db2.gz OLZQPASQMAOHBG-GOSISDBHSA-N 2 1 336.483 3.235 40 0 EGABMP CC(C)c1ccc(C[N@H+]2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)cc1 ZINC000019453300 212028471 /nfs/dbraw/zinc/02/84/71/212028471.db2.gz OLZQPASQMAOHBG-GOSISDBHSA-N 2 1 336.483 3.235 40 0 EGABMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H]2CCOC2)CC3)c1 ZINC000096062863 218557079 /nfs/dbraw/zinc/55/70/79/218557079.db2.gz FUPIABQJQUZLSV-LJQANCHMSA-N 2 1 344.499 3.020 40 0 EGABMP CC(C)[NH+]1CCC2(C[C@H]([NH2+]Cc3nccn3C)c3ccccc32)CC1 ZINC000096078985 273529921 /nfs/dbraw/zinc/52/99/21/273529921.db2.gz JOYWLXXWVLPMDZ-IBGZPJMESA-N 2 1 338.499 3.397 40 0 EGABMP OCC[N@H+]1Cc2ccccc2C2(CC[NH+](Cc3cccs3)CC2)C1 ZINC000096079569 275047196 /nfs/dbraw/zinc/04/71/96/275047196.db2.gz GEZXTESZIDQOFE-UHFFFAOYSA-N 2 1 342.508 3.090 40 0 EGABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000079404737 280271853 /nfs/dbraw/zinc/27/18/53/280271853.db2.gz YTJQUBBWFAJGCS-PMACEKPBSA-N 2 1 345.531 3.119 40 0 EGABMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096047996 454271620 /nfs/dbraw/zinc/27/16/20/454271620.db2.gz YCMVVDRBPHZKPO-MRXNPFEDSA-N 2 1 330.428 3.128 40 0 EGABMP Cn1ccnc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096157582 454293924 /nfs/dbraw/zinc/29/39/24/454293924.db2.gz KAVDDWFPFHNSRJ-UHFFFAOYSA-N 2 1 342.462 3.047 40 0 EGABMP Cn1ccnc1C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096157582 454293926 /nfs/dbraw/zinc/29/39/26/454293926.db2.gz KAVDDWFPFHNSRJ-UHFFFAOYSA-N 2 1 342.462 3.047 40 0 EGABMP Cc1csc(C[NH+]2CCC3(C[C@H](COCC4CC4)[N@H+](C)C3)CC2)n1 ZINC000096207678 454303689 /nfs/dbraw/zinc/30/36/89/454303689.db2.gz LRYMHLPWEKAPLY-QGZVFWFLSA-N 2 1 349.544 3.164 40 0 EGABMP Cc1csc(C[NH+]2CCC3(C[C@H](COCC4CC4)[N@@H+](C)C3)CC2)n1 ZINC000096207678 454303693 /nfs/dbraw/zinc/30/36/93/454303693.db2.gz LRYMHLPWEKAPLY-QGZVFWFLSA-N 2 1 349.544 3.164 40 0 EGABMP Cc1csc(C[NH+]2CCC3(C[C@@H](COCC4CC4)[N@H+](C)C3)CC2)n1 ZINC000096207679 454304494 /nfs/dbraw/zinc/30/44/94/454304494.db2.gz LRYMHLPWEKAPLY-KRWDZBQOSA-N 2 1 349.544 3.164 40 0 EGABMP Cc1csc(C[NH+]2CCC3(C[C@@H](COCC4CC4)[N@@H+](C)C3)CC2)n1 ZINC000096207679 454304497 /nfs/dbraw/zinc/30/44/97/454304497.db2.gz LRYMHLPWEKAPLY-KRWDZBQOSA-N 2 1 349.544 3.164 40 0 EGABMP COC[C@H]1C[N@@H+](Cc2csc(C)n2)CC12CC[NH+](C(C)C)CC2 ZINC000585103808 459823978 /nfs/dbraw/zinc/82/39/78/459823978.db2.gz RPFRLWICVJCGGY-MRXNPFEDSA-N 2 1 337.533 3.020 40 0 EGABMP CSCC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(C[NH+](C)C)cc1 ZINC000019583573 212047577 /nfs/dbraw/zinc/04/75/77/212047577.db2.gz SORKLGIZSMTPTC-PMACEKPBSA-N 2 1 347.572 3.150 40 0 EGABMP CC(C)[N@H+]1Cc2ccccc2OC2(CCC([NH+]3CCOCC3)CC2)C1 ZINC000019448645 212028825 /nfs/dbraw/zinc/02/88/25/212028825.db2.gz JJCQNJQREZLTDU-UHFFFAOYSA-N 2 1 344.499 3.303 40 0 EGABMP CC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000133061562 323220545 /nfs/dbraw/zinc/22/05/45/323220545.db2.gz VCNPZRXRDLDBEX-JIZBTBOESA-N 2 1 349.544 3.168 40 0 EGABMP CC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000133061562 323220548 /nfs/dbraw/zinc/22/05/48/323220548.db2.gz VCNPZRXRDLDBEX-JIZBTBOESA-N 2 1 349.544 3.168 40 0 EGABMP C[NH+]1CCN(c2ccc([C@@H]3CCC[N@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216511 454273266 /nfs/dbraw/zinc/27/32/66/454273266.db2.gz OYOLBOTZYZOWTI-FQEVSTJZSA-N 2 1 336.483 3.171 40 0 EGABMP C[N@@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[NH+](Cc3ccsc3)C[C@@H]21 ZINC000096056295 454275496 /nfs/dbraw/zinc/27/54/96/454275496.db2.gz SCMLNPXUYUIPOE-YTQUADARSA-N 2 1 346.496 3.310 40 0 EGABMP C[N@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[NH+](Cc3ccsc3)C[C@@H]21 ZINC000096056295 454275500 /nfs/dbraw/zinc/27/55/00/454275500.db2.gz SCMLNPXUYUIPOE-YTQUADARSA-N 2 1 346.496 3.310 40 0 EGABMP C[NH+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000096056295 454275506 /nfs/dbraw/zinc/27/55/06/454275506.db2.gz SCMLNPXUYUIPOE-YTQUADARSA-N 2 1 346.496 3.310 40 0 EGABMP C[NH+](Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000096056295 454275512 /nfs/dbraw/zinc/27/55/12/454275512.db2.gz SCMLNPXUYUIPOE-YTQUADARSA-N 2 1 346.496 3.310 40 0 EGABMP Cc1ncsc1C[NH+]1CCC2(C[C@@H](COCC3CC3)[N@@H+](C)C2)CC1 ZINC000096208939 454305629 /nfs/dbraw/zinc/30/56/29/454305629.db2.gz WFRCSQMGZUGUSP-KRWDZBQOSA-N 2 1 349.544 3.164 40 0 EGABMP Cc1cc(N2CCC([NH2+][C@H](C)Cc3ccsc3)CC2)nc(C)[nH+]1 ZINC000096479072 454364180 /nfs/dbraw/zinc/36/41/80/454364180.db2.gz QPGLAMFEUWYZLG-CYBMUJFWSA-N 2 1 330.501 3.345 40 0 EGABMP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000096484346 454366171 /nfs/dbraw/zinc/36/61/71/454366171.db2.gz YKNYBBXOYYPXBJ-QZTJIDSGSA-N 2 1 330.472 3.358 40 0 EGABMP CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000096484346 454366174 /nfs/dbraw/zinc/36/61/74/454366174.db2.gz YKNYBBXOYYPXBJ-QZTJIDSGSA-N 2 1 330.472 3.358 40 0 EGABMP COc1ccccc1[C@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192731595 455681280 /nfs/dbraw/zinc/68/12/80/455681280.db2.gz XTRNFXAXXTWGNE-HXUWFJFHSA-N 2 1 345.531 3.248 40 0 EGABMP Cc1[nH+]ccn1-c1nccnc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000072350482 216161526 /nfs/dbraw/zinc/16/15/26/216161526.db2.gz XNQZFTZKKPBGHQ-UHFFFAOYSA-N 2 1 333.439 3.350 40 0 EGABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072379053 216181056 /nfs/dbraw/zinc/18/10/56/216181056.db2.gz YSFTUYYNDGVBFN-QGZVFWFLSA-N 2 1 333.439 3.350 40 0 EGABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072379053 216181060 /nfs/dbraw/zinc/18/10/60/216181060.db2.gz YSFTUYYNDGVBFN-QGZVFWFLSA-N 2 1 333.439 3.350 40 0 EGABMP C[C@@H](CC[N@H+]1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1)c1ccccc1 ZINC000019455722 212029899 /nfs/dbraw/zinc/02/98/99/212029899.db2.gz MHPFOXIEDHMHNR-JXFKEZNVSA-N 2 1 336.483 3.453 40 0 EGABMP C[C@](O)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccsc1 ZINC000095423043 218364725 /nfs/dbraw/zinc/36/47/25/218364725.db2.gz AKIUXOLKOYKSIB-FQEVSTJZSA-N 2 1 344.524 3.252 40 0 EGABMP CCOc1cccc(C[NH2+]CCC[NH2+]C)c1OCc1ccccc1 ZINC000008325503 453191720 /nfs/dbraw/zinc/19/17/20/453191720.db2.gz UNOZXQUUHRLDLR-UHFFFAOYSA-N 2 1 328.456 3.363 40 0 EGABMP CC(C)Oc1ccc(C[NH2+]CC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013765788 453488519 /nfs/dbraw/zinc/48/85/19/453488519.db2.gz VTZLVAXMWLFFNO-ABSDTBQOSA-N 2 1 334.504 3.045 40 0 EGABMP Cn1cccc1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccccn3)C2)CC1 ZINC000096159258 454295177 /nfs/dbraw/zinc/29/51/77/454295177.db2.gz SNPCBDRGUVZYRY-UHFFFAOYSA-N 2 1 338.499 3.297 40 0 EGABMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096159272 454295994 /nfs/dbraw/zinc/29/59/94/454295994.db2.gz SHFKKMJHQVLQQP-UHFFFAOYSA-N 2 1 336.483 3.353 40 0 EGABMP CC(C)N1[C@H](C[NH+]2CCCC2)C[C@@H]2C[N@H+](Cc3ccoc3)CC[C@@H]21 ZINC000096185592 454300167 /nfs/dbraw/zinc/30/01/67/454300167.db2.gz BMPPEKBDOZYNHO-AABGKKOBSA-N 2 1 331.504 3.049 40 0 EGABMP CC(C)N1[C@H](C[NH+]2CCCC2)C[C@@H]2C[N@@H+](Cc3ccoc3)CC[C@@H]21 ZINC000096185592 454300176 /nfs/dbraw/zinc/30/01/76/454300176.db2.gz BMPPEKBDOZYNHO-AABGKKOBSA-N 2 1 331.504 3.049 40 0 EGABMP COC[C@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1scnc1C)CC2 ZINC000096206567 454304588 /nfs/dbraw/zinc/30/45/88/454304588.db2.gz HMORYCYXHVTLFR-MRXNPFEDSA-N 2 1 337.533 3.163 40 0 EGABMP CC[N@@H+]1C[C@H](COC)[C@]2(CC[NH+](Cc3ccc4ccccc4n3)C2)C1 ZINC000096220192 454307391 /nfs/dbraw/zinc/30/73/91/454307391.db2.gz POZAFCPGXNVRHJ-WIYYLYMNSA-N 2 1 339.483 3.025 40 0 EGABMP CC[N@H+]1C[C@H](COC)[C@]2(CC[NH+](Cc3ccc4ccccc4n3)C2)C1 ZINC000096220192 454307397 /nfs/dbraw/zinc/30/73/97/454307397.db2.gz POZAFCPGXNVRHJ-WIYYLYMNSA-N 2 1 339.483 3.025 40 0 EGABMP CC[NH+]1C[C@H](COC)[C@]2(CC[N@H+](Cc3ccc4ccccc4n3)C2)C1 ZINC000096220192 454307401 /nfs/dbraw/zinc/30/74/01/454307401.db2.gz POZAFCPGXNVRHJ-WIYYLYMNSA-N 2 1 339.483 3.025 40 0 EGABMP CC[NH+]1C[C@H](COC)[C@]2(CC[N@@H+](Cc3ccc4ccccc4n3)C2)C1 ZINC000096220192 454307406 /nfs/dbraw/zinc/30/74/06/454307406.db2.gz POZAFCPGXNVRHJ-WIYYLYMNSA-N 2 1 339.483 3.025 40 0 EGABMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC12CC[NH+](Cc1nccs1)CC2 ZINC000096238318 454310129 /nfs/dbraw/zinc/31/01/29/454310129.db2.gz YFOJHPXRILZTBA-KRWDZBQOSA-N 2 1 342.512 3.272 40 0 EGABMP C[N@H+](Cc1cccnc1)C[C@@H]1CC12CC[NH+](Cc1nccs1)CC2 ZINC000096238318 454310135 /nfs/dbraw/zinc/31/01/35/454310135.db2.gz YFOJHPXRILZTBA-KRWDZBQOSA-N 2 1 342.512 3.272 40 0 EGABMP CC1(C)Cc2occc2[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000096477957 454363611 /nfs/dbraw/zinc/36/36/11/454363611.db2.gz FBLWURCRERIRCJ-QAPCUYQASA-N 2 1 332.488 3.384 40 0 EGABMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccccn2)CC1 ZINC000078553364 217075297 /nfs/dbraw/zinc/07/52/97/217075297.db2.gz RREDJWFVTHHMPD-INIZCTEOSA-N 2 1 342.462 3.213 40 0 EGABMP C/C(=C\c1ccccc1)C[N@H+]1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019014427 453653083 /nfs/dbraw/zinc/65/30/83/453653083.db2.gz NMCPAYHOYOUTND-ZRNYNZGJSA-N 2 1 334.467 3.363 40 0 EGABMP C/C(=C\c1ccccc1)C[N@H+]1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019014425 453653207 /nfs/dbraw/zinc/65/32/07/453653207.db2.gz NMCPAYHOYOUTND-GRFAERAESA-N 2 1 334.467 3.363 40 0 EGABMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000022462538 453692880 /nfs/dbraw/zinc/69/28/80/453692880.db2.gz VHHKQPAMKPAGAC-JOCHJYFZSA-N 2 1 335.495 3.079 40 0 EGABMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000022462538 453692881 /nfs/dbraw/zinc/69/28/81/453692881.db2.gz VHHKQPAMKPAGAC-JOCHJYFZSA-N 2 1 335.495 3.079 40 0 EGABMP