smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCC([NH2+][C@H](C)CCn3cccn3)CC2)nc(C)[nH+]1 ZINC000158930822 206216495 /nfs/dbraw/zinc/21/64/95/206216495.db2.gz MBSTYJIAJBGEFC-CQSZACIVSA-N 2 1 328.464 2.327 40 0 EEABMP C[N@@H+](CCC(=O)N1CC[C@H]2[NH2+]CCCCC[C@H]21)Cc1cccnc1 ZINC000257343774 463788190 /nfs/dbraw/zinc/78/81/90/463788190.db2.gz ZUIXIFWIYMOWGV-QZTJIDSGSA-N 2 1 330.476 2.037 40 0 EEABMP Cc1cccc(N2CCO[C@@H]3C[C@@H](COCC[NH+]4CCCC4)C[C@H]32)[nH+]1 ZINC000248093364 464729495 /nfs/dbraw/zinc/72/94/95/464729495.db2.gz MCLPXFRMIUXOPW-IPMKNSEASA-N 2 1 345.487 2.486 40 0 EEABMP c1ccc(CC[N@@H+]2CCc3nnc([C@@H]4CCCC[NH2+]4)n3CC2)cc1 ZINC000072372838 203209815 /nfs/dbraw/zinc/20/98/15/203209815.db2.gz YOYLBXCPIOLNJU-KRWDZBQOSA-N 2 1 325.460 2.194 40 0 EEABMP O[C@H]1C[N@H+](C2CCCCC2)C[C@H]1[C@]1(O)CC[NH+](C2CCCCC2)C1 ZINC000004783193 285367517 /nfs/dbraw/zinc/36/75/17/285367517.db2.gz OHHVXRZTKRYDRS-AABGKKOBSA-N 2 1 336.520 2.381 40 0 EEABMP O[C@H]1C[NH+](C2CCCCC2)C[C@H]1[C@]1(O)CC[N@@H+](C2CCCCC2)C1 ZINC000004783193 285367519 /nfs/dbraw/zinc/36/75/19/285367519.db2.gz OHHVXRZTKRYDRS-AABGKKOBSA-N 2 1 336.520 2.381 40 0 EEABMP O[C@H]1C[NH+](C2CCCCC2)C[C@H]1[C@]1(O)CC[N@H+](C2CCCCC2)C1 ZINC000004783193 285367521 /nfs/dbraw/zinc/36/75/21/285367521.db2.gz OHHVXRZTKRYDRS-AABGKKOBSA-N 2 1 336.520 2.381 40 0 EEABMP C[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163993824 463611969 /nfs/dbraw/zinc/61/19/69/463611969.db2.gz RVDAVLLFCILEJT-GFCCVEGCSA-N 2 1 329.366 2.087 40 0 EEABMP C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163993824 463611972 /nfs/dbraw/zinc/61/19/72/463611972.db2.gz RVDAVLLFCILEJT-GFCCVEGCSA-N 2 1 329.366 2.087 40 0 EEABMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000245338968 464471487 /nfs/dbraw/zinc/47/14/87/464471487.db2.gz PSGYVYOJTRTZGP-QHAWAJNXSA-N 3 1 342.531 2.192 40 0 EEABMP C[NH+]1CCN(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000245338968 464471492 /nfs/dbraw/zinc/47/14/92/464471492.db2.gz PSGYVYOJTRTZGP-QHAWAJNXSA-N 3 1 342.531 2.192 40 0 EEABMP C[NH+]1CCN(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000245338968 464471494 /nfs/dbraw/zinc/47/14/94/464471494.db2.gz PSGYVYOJTRTZGP-QHAWAJNXSA-N 3 1 342.531 2.192 40 0 EEABMP CN1CCN(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000245338968 464471501 /nfs/dbraw/zinc/47/15/01/464471501.db2.gz PSGYVYOJTRTZGP-QHAWAJNXSA-N 2 1 342.531 2.192 40 0 EEABMP CN1CCN(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000245338968 464471505 /nfs/dbraw/zinc/47/15/05/464471505.db2.gz PSGYVYOJTRTZGP-QHAWAJNXSA-N 2 1 342.531 2.192 40 0 EEABMP CCC1(CC)C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC[S@]1=O ZINC000192801399 465000742 /nfs/dbraw/zinc/00/07/42/465000742.db2.gz CPVFEBOFKSPEDZ-HSZRJFAPSA-N 2 1 343.581 2.026 40 0 EEABMP CCC1(CC)C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC[S@]1=O ZINC000192801399 465000750 /nfs/dbraw/zinc/00/07/50/465000750.db2.gz CPVFEBOFKSPEDZ-HSZRJFAPSA-N 2 1 343.581 2.026 40 0 EEABMP C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000012195150 462847628 /nfs/dbraw/zinc/84/76/28/462847628.db2.gz BFVSFTWBCZTGKR-GOSISDBHSA-N 2 1 333.451 2.248 40 0 EEABMP c1cnc(N2CC[NH+]([C@@H]3CCC[C@@H]4C[N@@H+](CC5CC5)C[C@@H]43)CC2)nc1 ZINC000096183137 463194686 /nfs/dbraw/zinc/19/46/86/463194686.db2.gz QYKBHUSGSYXIEG-CEXWTWQISA-N 2 1 341.503 2.109 40 0 EEABMP c1cnc(N2CC[NH+]([C@@H]3CCC[C@@H]4C[N@H+](CC5CC5)C[C@@H]43)CC2)nc1 ZINC000096183137 463194692 /nfs/dbraw/zinc/19/46/92/463194692.db2.gz QYKBHUSGSYXIEG-CEXWTWQISA-N 2 1 341.503 2.109 40 0 EEABMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000096484314 463282373 /nfs/dbraw/zinc/28/23/73/463282373.db2.gz PSGYVYOJTRTZGP-NJYVYQBISA-N 3 1 342.531 2.192 40 0 EEABMP C[NH+]1CCN(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000096484314 463282377 /nfs/dbraw/zinc/28/23/77/463282377.db2.gz PSGYVYOJTRTZGP-NJYVYQBISA-N 3 1 342.531 2.192 40 0 EEABMP C[NH+]1CCN(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000096484314 463282382 /nfs/dbraw/zinc/28/23/82/463282382.db2.gz PSGYVYOJTRTZGP-NJYVYQBISA-N 3 1 342.531 2.192 40 0 EEABMP CN1CCN(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000096484314 463282387 /nfs/dbraw/zinc/28/23/87/463282387.db2.gz PSGYVYOJTRTZGP-NJYVYQBISA-N 2 1 342.531 2.192 40 0 EEABMP CN1CCN(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000096484314 463282394 /nfs/dbraw/zinc/28/23/94/463282394.db2.gz PSGYVYOJTRTZGP-NJYVYQBISA-N 2 1 342.531 2.192 40 0 EEABMP CC(C)[NH+]1CCC([NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)CC1 ZINC000097238299 463352962 /nfs/dbraw/zinc/35/29/62/463352962.db2.gz YRKBWBZAZMOSGC-HNNXBMFYSA-N 2 1 328.460 2.247 40 0 EEABMP CC(C)[N@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccccn1)C2 ZINC000107738687 204244949 /nfs/dbraw/zinc/24/49/49/204244949.db2.gz ZDEYKZYGZUELCP-PKOBYXMFSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[N@@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccccn1)C2 ZINC000107738687 204244953 /nfs/dbraw/zinc/24/49/53/204244953.db2.gz ZDEYKZYGZUELCP-PKOBYXMFSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC000107738687 204244958 /nfs/dbraw/zinc/24/49/58/204244958.db2.gz ZDEYKZYGZUELCP-PKOBYXMFSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000107738687 204244963 /nfs/dbraw/zinc/24/49/63/204244963.db2.gz ZDEYKZYGZUELCP-PKOBYXMFSA-N 2 1 333.476 2.029 40 0 EEABMP C[N@H+]1C[C@H](COCc2cccnc2)[C@]2(CC[NH+](C3CCOCC3)C2)C1 ZINC000096215790 463213678 /nfs/dbraw/zinc/21/36/78/463213678.db2.gz XOKQKZAQZDKOIO-UYAOXDASSA-N 2 1 345.487 2.031 40 0 EEABMP C[NH+]1C[C@H](COCc2cccnc2)[C@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000096215790 463213681 /nfs/dbraw/zinc/21/36/81/463213681.db2.gz XOKQKZAQZDKOIO-UYAOXDASSA-N 2 1 345.487 2.031 40 0 EEABMP C[NH+]1C[C@H](COCc2cccnc2)[C@]2(CC[N@H+](C3CCOCC3)C2)C1 ZINC000096215790 463213686 /nfs/dbraw/zinc/21/36/86/463213686.db2.gz XOKQKZAQZDKOIO-UYAOXDASSA-N 2 1 345.487 2.031 40 0 EEABMP CC(C)[N@@H+](C)CCCCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000252476777 464957811 /nfs/dbraw/zinc/95/78/11/464957811.db2.gz BEXBXLGHZUUJGD-OKZBNKHCSA-N 2 1 336.524 2.233 40 0 EEABMP CC(C)[NH+](C)CCCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000252476777 464957814 /nfs/dbraw/zinc/95/78/14/464957814.db2.gz BEXBXLGHZUUJGD-OKZBNKHCSA-N 2 1 336.524 2.233 40 0 EEABMP CC(C)[NH+](C)CCCCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000252476777 464957815 /nfs/dbraw/zinc/95/78/15/464957815.db2.gz BEXBXLGHZUUJGD-OKZBNKHCSA-N 2 1 336.524 2.233 40 0 EEABMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000078552951 202396483 /nfs/dbraw/zinc/39/64/83/202396483.db2.gz NUOIPQHLRTWYIY-UHFFFAOYSA-N 2 1 347.503 2.211 40 0 EEABMP CC(C)[N@@H+](C)CCCCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000096421482 279354271 /nfs/dbraw/zinc/35/42/71/279354271.db2.gz BEXBXLGHZUUJGD-RCCFBDPRSA-N 2 1 336.524 2.233 40 0 EEABMP CC(C)[NH+](C)CCCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000096421482 279354273 /nfs/dbraw/zinc/35/42/73/279354273.db2.gz BEXBXLGHZUUJGD-RCCFBDPRSA-N 2 1 336.524 2.233 40 0 EEABMP CC(C)[NH+](C)CCCCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000096421482 279354274 /nfs/dbraw/zinc/35/42/74/279354274.db2.gz BEXBXLGHZUUJGD-RCCFBDPRSA-N 2 1 336.524 2.233 40 0 EEABMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000090467132 462793726 /nfs/dbraw/zinc/79/37/26/462793726.db2.gz VQDKHQMLRYECNV-SUMWQHHRSA-N 2 1 333.457 2.409 40 0 EEABMP CC[NH+]1C[C@H](C)N(C/C=C/CN2C[C@H](C)[N@@H+](CC)C[C@H]2C)C[C@H]1C ZINC000253418333 465005880 /nfs/dbraw/zinc/00/58/80/465005880.db2.gz JDRCZTUHLZBKII-MXNWFCGFSA-N 2 1 336.568 2.372 40 0 EEABMP CC[NH+]1C[C@@H](C)N(C/C=C/CN2C[C@@H](C)[N@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000253418333 465005887 /nfs/dbraw/zinc/00/58/87/465005887.db2.gz JDRCZTUHLZBKII-MXNWFCGFSA-N 2 1 336.568 2.372 40 0 EEABMP CC[NH+]1C[C@@H](C)N(C/C=C/CN2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000253418333 465005892 /nfs/dbraw/zinc/00/58/92/465005892.db2.gz JDRCZTUHLZBKII-MXNWFCGFSA-N 2 1 336.568 2.372 40 0 EEABMP c1ccc(CC[N@@H+]2CCc3nnc([C@H]4CCCC[NH2+]4)n3CC2)cc1 ZINC000072372839 203208856 /nfs/dbraw/zinc/20/88/56/203208856.db2.gz YOYLBXCPIOLNJU-QGZVFWFLSA-N 2 1 325.460 2.194 40 0 EEABMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000252585966 464984368 /nfs/dbraw/zinc/98/43/68/464984368.db2.gz MMEZOPIAQKQLAW-KBAYOESNSA-N 2 1 346.471 2.437 40 0 EEABMP Cc1nnc2n1C1(CC[NH+](Cc3cccc(C)c3)CC1)C[N@H+](C)C2 ZINC000306131303 466491158 /nfs/dbraw/zinc/49/11/58/466491158.db2.gz KATFYQPMHRQIAK-UHFFFAOYSA-N 2 1 325.460 2.332 40 0 EEABMP Cc1nnc2n1C1(CC[NH+](Cc3cccc(C)c3)CC1)C[N@@H+](C)C2 ZINC000306131303 466491163 /nfs/dbraw/zinc/49/11/63/466491163.db2.gz KATFYQPMHRQIAK-UHFFFAOYSA-N 2 1 325.460 2.332 40 0 EEABMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCO[C@H]3CCCCO3)C2)CC1 ZINC000241926473 243005086 /nfs/dbraw/zinc/00/50/86/243005086.db2.gz UGMMGEDRZMULCY-OALUTQOASA-N 2 1 339.524 2.022 40 0 EEABMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCO[C@H]3CCCCO3)C2)CC1 ZINC000241926473 243005093 /nfs/dbraw/zinc/00/50/93/243005093.db2.gz UGMMGEDRZMULCY-OALUTQOASA-N 2 1 339.524 2.022 40 0 EEABMP C[NH+]1CCN([C@@H]2COC3(C2)CC[NH+](Cc2cccs2)CC3)CC1 ZINC000096048839 463152790 /nfs/dbraw/zinc/15/27/90/463152790.db2.gz ONPNBMVRPWPYMW-INIZCTEOSA-N 2 1 335.517 2.119 40 0 EEABMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)s1 ZINC000096185607 463196843 /nfs/dbraw/zinc/19/68/43/463196843.db2.gz KGKVKIBPWMZGQM-VYDXJSESSA-N 2 1 331.489 2.243 40 0 EEABMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)s1 ZINC000096185607 463196849 /nfs/dbraw/zinc/19/68/49/463196849.db2.gz KGKVKIBPWMZGQM-VYDXJSESSA-N 2 1 331.489 2.243 40 0 EEABMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)s1 ZINC000096185607 463196852 /nfs/dbraw/zinc/19/68/52/463196852.db2.gz KGKVKIBPWMZGQM-VYDXJSESSA-N 2 1 331.489 2.243 40 0 EEABMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)s1 ZINC000096185607 463196854 /nfs/dbraw/zinc/19/68/54/463196854.db2.gz KGKVKIBPWMZGQM-VYDXJSESSA-N 2 1 331.489 2.243 40 0 EEABMP C[N@H+](Cc1ccco1)C[C@@H]1OC[C@H]2C[NH+](C[C@@H]3CCOC3)CC[C@@H]12 ZINC000248017819 464724747 /nfs/dbraw/zinc/72/47/47/464724747.db2.gz QSFKPQSJLWCLGO-ISARSNTHSA-N 2 1 334.460 2.085 40 0 EEABMP C[NH+](Cc1ccco1)C[C@@H]1OC[C@H]2C[N@H+](C[C@@H]3CCOC3)CC[C@@H]12 ZINC000248017819 464724749 /nfs/dbraw/zinc/72/47/49/464724749.db2.gz QSFKPQSJLWCLGO-ISARSNTHSA-N 2 1 334.460 2.085 40 0 EEABMP C[NH+](Cc1ccco1)C[C@@H]1OC[C@H]2C[N@@H+](C[C@@H]3CCOC3)CC[C@@H]12 ZINC000248017819 464724752 /nfs/dbraw/zinc/72/47/52/464724752.db2.gz QSFKPQSJLWCLGO-ISARSNTHSA-N 2 1 334.460 2.085 40 0 EEABMP CC(C)[N@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1cccnc1)C2 ZINC000096051994 463154628 /nfs/dbraw/zinc/15/46/28/463154628.db2.gz RIODWSKZRJJPQA-MOPGFXCFSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[N@@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1cccnc1)C2 ZINC000096051994 463154630 /nfs/dbraw/zinc/15/46/30/463154630.db2.gz RIODWSKZRJJPQA-MOPGFXCFSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096051994 463154634 /nfs/dbraw/zinc/15/46/34/463154634.db2.gz RIODWSKZRJJPQA-MOPGFXCFSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096051994 463154636 /nfs/dbraw/zinc/15/46/36/463154636.db2.gz RIODWSKZRJJPQA-MOPGFXCFSA-N 2 1 333.476 2.029 40 0 EEABMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+]([C@H]4CCOC4)CC3)C2)c1 ZINC000096158876 463191210 /nfs/dbraw/zinc/19/12/10/463191210.db2.gz MCEVQHPLODVETR-SFHVURJKSA-N 2 1 346.471 2.151 40 0 EEABMP COc1cccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4CCOC4)CC3)C2)c1 ZINC000096158876 463191212 /nfs/dbraw/zinc/19/12/12/463191212.db2.gz MCEVQHPLODVETR-SFHVURJKSA-N 2 1 346.471 2.151 40 0 EEABMP Cc1cccc(C[N@@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000096240651 463225360 /nfs/dbraw/zinc/22/53/60/463225360.db2.gz SUELMVMUFZWUCW-QUCCMNQESA-N 2 1 345.487 2.093 40 0 EEABMP Cc1cccc(C[N@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000096240651 463225367 /nfs/dbraw/zinc/22/53/67/463225367.db2.gz SUELMVMUFZWUCW-QUCCMNQESA-N 2 1 345.487 2.093 40 0 EEABMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000189102159 464434121 /nfs/dbraw/zinc/43/41/21/464434121.db2.gz ZVTYUWJWSDSZTG-UHFFFAOYSA-N 2 1 341.858 2.369 40 0 EEABMP Cn1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cn1 ZINC000096048005 463152188 /nfs/dbraw/zinc/15/21/88/463152188.db2.gz PFCMQPDUKVQWFP-QGZVFWFLSA-N 2 1 344.459 2.269 40 0 EEABMP Cc1ccc(C[NH+]2CCC3(C[C@@H](N4CC[NH+](C)CC4)CO3)CC2)s1 ZINC000096048845 463153639 /nfs/dbraw/zinc/15/36/39/463153639.db2.gz OMSPEQSWXMTEGU-QGZVFWFLSA-N 2 1 349.544 2.427 40 0 EEABMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000096489059 463285633 /nfs/dbraw/zinc/28/56/33/463285633.db2.gz RCJDLHDRVJOOPQ-LJQANCHMSA-N 2 1 329.488 2.499 40 0 EEABMP COC(=O)c1cccc2nc([C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)oc21 ZINC000035446951 213028617 /nfs/dbraw/zinc/02/86/17/213028617.db2.gz AEHPJVIAFJFBES-ZDUSSCGKSA-N 2 1 343.427 2.498 40 0 biogenic,in-vitro EEABMP COC(=O)c1cccc2nc([C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)oc21 ZINC000035446951 213028621 /nfs/dbraw/zinc/02/86/21/213028621.db2.gz AEHPJVIAFJFBES-ZDUSSCGKSA-N 2 1 343.427 2.498 40 0 biogenic,in-vitro EEABMP C[NH+]1CCN(CCC[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000097235630 219002574 /nfs/dbraw/zinc/00/25/74/219002574.db2.gz WIDMVUXUAXBYQQ-SFHVURJKSA-N 2 1 337.895 2.431 40 0 EEABMP Cc1ccc(C[NH+]2CCC3(C[C@H](N4CC[NH+](C)CC4)CO3)CC2)s1 ZINC000096048844 463152864 /nfs/dbraw/zinc/15/28/64/463152864.db2.gz OMSPEQSWXMTEGU-KRWDZBQOSA-N 2 1 349.544 2.427 40 0 EEABMP CC(C)[N@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1ccncc1)C2 ZINC000096051995 463154939 /nfs/dbraw/zinc/15/49/39/463154939.db2.gz RFTJGMYKMQFISP-OALUTQOASA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[N@@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1ccncc1)C2 ZINC000096051995 463154945 /nfs/dbraw/zinc/15/49/45/463154945.db2.gz RFTJGMYKMQFISP-OALUTQOASA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096051995 463154950 /nfs/dbraw/zinc/15/49/50/463154950.db2.gz RFTJGMYKMQFISP-OALUTQOASA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096051995 463154955 /nfs/dbraw/zinc/15/49/55/463154955.db2.gz RFTJGMYKMQFISP-OALUTQOASA-N 2 1 333.476 2.029 40 0 EEABMP COc1ccc(C[NH+]2CCC(O)(Cn3cc[nH+]c3C)CC2)cc1OC ZINC000019287971 463015377 /nfs/dbraw/zinc/01/53/77/463015377.db2.gz YNEWDSHZSZPLJF-UHFFFAOYSA-N 2 1 345.443 2.236 40 0 EEABMP COCC[N@@H+](C)C[C@H]1CO[C@@]2(C1)CCC[NH+](Cc1cccc(C)n1)C2 ZINC000107790623 463583754 /nfs/dbraw/zinc/58/37/54/463583754.db2.gz SQBBBTJPPHPKKK-AZUAARDMSA-N 2 1 347.503 2.339 40 0 EEABMP COCC[NH+](C)C[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(C)n1)C2 ZINC000107790623 463583758 /nfs/dbraw/zinc/58/37/58/463583758.db2.gz SQBBBTJPPHPKKK-AZUAARDMSA-N 2 1 347.503 2.339 40 0 EEABMP COCC[NH+](C)C[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(C)n1)C2 ZINC000107790623 463583764 /nfs/dbraw/zinc/58/37/64/463583764.db2.gz SQBBBTJPPHPKKK-AZUAARDMSA-N 2 1 347.503 2.339 40 0 EEABMP CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000195560320 464075919 /nfs/dbraw/zinc/07/59/19/464075919.db2.gz LOQLKIUWMZZKFG-CEXWTWQISA-N 2 1 344.503 2.100 40 0 EEABMP CC(C)[N@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1cccnc1)C2 ZINC000096051993 463155063 /nfs/dbraw/zinc/15/50/63/463155063.db2.gz RIODWSKZRJJPQA-OALUTQOASA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[N@@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1cccnc1)C2 ZINC000096051993 463155065 /nfs/dbraw/zinc/15/50/65/463155065.db2.gz RIODWSKZRJJPQA-OALUTQOASA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096051993 463155066 /nfs/dbraw/zinc/15/50/66/463155066.db2.gz RIODWSKZRJJPQA-OALUTQOASA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096051993 463155067 /nfs/dbraw/zinc/15/50/67/463155067.db2.gz RIODWSKZRJJPQA-OALUTQOASA-N 2 1 333.476 2.029 40 0 EEABMP c1cncc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC000096055168 463156183 /nfs/dbraw/zinc/15/61/83/463156183.db2.gz UNICZXQEFNOIJX-WOJBJXKFSA-N 2 1 338.455 2.200 40 0 EEABMP c1cncc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC000096055168 463156188 /nfs/dbraw/zinc/15/61/88/463156188.db2.gz UNICZXQEFNOIJX-WOJBJXKFSA-N 2 1 338.455 2.200 40 0 EEABMP c1cncc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccncc4)CC[C@@H]3C2)c1 ZINC000096055168 463156191 /nfs/dbraw/zinc/15/61/91/463156191.db2.gz UNICZXQEFNOIJX-WOJBJXKFSA-N 2 1 338.455 2.200 40 0 EEABMP CC[NH+](CC)Cc1cnc2n1CC[N@H+](Cc1c(C)noc1C)CC2 ZINC000096196825 463202881 /nfs/dbraw/zinc/20/28/81/463202881.db2.gz QECLOUIAPDPCPQ-UHFFFAOYSA-N 2 1 331.464 2.388 40 0 EEABMP c1cc(C[N@@H+]2CC[C@H]3OCCN(CC[NH+]4CCCC4)[C@@H]3CC2)co1 ZINC000096249348 463226679 /nfs/dbraw/zinc/22/66/79/463226679.db2.gz OJMSOMSZUNXOIH-RTBURBONSA-N 2 1 333.476 2.041 40 0 EEABMP Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+]2CCCC2)s1 ZINC000096248718 463227219 /nfs/dbraw/zinc/22/72/19/463227219.db2.gz HHPMEQAOEVREFZ-MSOLQXFVSA-N 2 1 335.517 2.037 40 0 EEABMP CNC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)ccc2Cl)CC1 ZINC000225461649 464162726 /nfs/dbraw/zinc/16/27/26/464162726.db2.gz XHROCXIGTIMDQN-UHFFFAOYSA-N 2 1 341.858 2.369 40 0 EEABMP CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000253370071 464995262 /nfs/dbraw/zinc/99/52/62/464995262.db2.gz LOQLKIUWMZZKFG-IPMKNSEASA-N 2 1 344.503 2.100 40 0 EEABMP CCN1CC[NH+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)CC1 ZINC000072394683 216192401 /nfs/dbraw/zinc/19/24/01/216192401.db2.gz CEXGZUNLNBRSKE-UHFFFAOYSA-N 2 1 327.476 2.167 40 0 EEABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)o1 ZINC000096052334 463156545 /nfs/dbraw/zinc/15/65/45/463156545.db2.gz VFMPYBXEYILCLD-RTBURBONSA-N 2 1 334.460 2.434 40 0 EEABMP Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)o1 ZINC000096052334 463156546 /nfs/dbraw/zinc/15/65/46/463156546.db2.gz VFMPYBXEYILCLD-RTBURBONSA-N 2 1 334.460 2.434 40 0 EEABMP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000097229706 463350907 /nfs/dbraw/zinc/35/09/07/463350907.db2.gz PSQPNUJGBWLTSM-VQTJNVASSA-N 3 1 343.515 2.360 40 0 EEABMP OC1CC[NH+](Cc2ccc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000097229706 463350909 /nfs/dbraw/zinc/35/09/09/463350909.db2.gz PSQPNUJGBWLTSM-VQTJNVASSA-N 2 1 343.515 2.360 40 0 EEABMP OC1CC[NH+](Cc2ccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000097229706 463350912 /nfs/dbraw/zinc/35/09/12/463350912.db2.gz PSQPNUJGBWLTSM-VQTJNVASSA-N 2 1 343.515 2.360 40 0 EEABMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)Cc2nnc(C)n23)s1 ZINC000306136273 466491088 /nfs/dbraw/zinc/49/10/88/466491088.db2.gz POKSNLNVRADAAK-UHFFFAOYSA-N 2 1 331.489 2.393 40 0 EEABMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C)Cc2nnc(C)n23)s1 ZINC000306136273 466491094 /nfs/dbraw/zinc/49/10/94/466491094.db2.gz POKSNLNVRADAAK-UHFFFAOYSA-N 2 1 331.489 2.393 40 0 EEABMP C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000012195156 211317120 /nfs/dbraw/zinc/31/71/20/211317120.db2.gz BFVSFTWBCZTGKR-SFHVURJKSA-N 2 1 333.451 2.248 40 0 EEABMP C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N3CC[NH+](Cc4ccccc4)CC3)ncc12 ZINC000012326168 277215594 /nfs/dbraw/zinc/21/55/94/277215594.db2.gz HTOSMPSWYWSIKK-FXAWDEMLSA-N 2 1 349.482 2.490 40 0 EEABMP COc1ccc(C[N@H+]2CC[C@@H]3O[C@H](COCC[NH+](C)C)CC[C@@H]32)cc1 ZINC000096186067 463198121 /nfs/dbraw/zinc/19/81/21/463198121.db2.gz JWRXWRIUDSWRKE-UFYCRDLUSA-N 2 1 348.487 2.395 40 0 EEABMP CC(C)[C@@H](O)C[NH+]1CCCC2(CCC[N@H+](C[C@H](O)C(C)C)C2)C1 ZINC000366586754 465818852 /nfs/dbraw/zinc/81/88/52/465818852.db2.gz AWBYNCSPTOKVKS-ADUPEVMXSA-N 2 1 326.525 2.198 40 0 EEABMP Cc1ccc(C)c([C@@H](O)C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000072637017 216285830 /nfs/dbraw/zinc/28/58/30/216285830.db2.gz WDJGIFIVEKNYAT-QUCCMNQESA-N 2 1 331.504 2.049 40 0 EEABMP Cc1ccc(C)c([C@@H](O)C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000072637017 216285832 /nfs/dbraw/zinc/28/58/32/216285832.db2.gz WDJGIFIVEKNYAT-QUCCMNQESA-N 2 1 331.504 2.049 40 0 EEABMP Cc1[nH+]ccn1CCCC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000078394401 217046549 /nfs/dbraw/zinc/04/65/49/217046549.db2.gz VIYITNCGJCURHV-UHFFFAOYSA-N 2 1 344.459 2.229 40 0 EEABMP Cc1cccc(C[N@H+]2CC[C@@H]3C[NH+](C4CCOCC4)CCO[C@@H]3C2)n1 ZINC000096249668 463227146 /nfs/dbraw/zinc/22/71/46/463227146.db2.gz UVZNMZGKAGPRNO-YLJYHZDGSA-N 2 1 345.487 2.092 40 0 EEABMP Cc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCOCC4)CCO[C@@H]3C2)n1 ZINC000096249668 463227153 /nfs/dbraw/zinc/22/71/53/463227153.db2.gz UVZNMZGKAGPRNO-YLJYHZDGSA-N 2 1 345.487 2.092 40 0 EEABMP Cc1cccc(C[NH+]2CC[C@@H]3C[N@H+](C4CCOCC4)CCO[C@@H]3C2)n1 ZINC000096249668 463227159 /nfs/dbraw/zinc/22/71/59/463227159.db2.gz UVZNMZGKAGPRNO-YLJYHZDGSA-N 2 1 345.487 2.092 40 0 EEABMP CNC(=O)C[NH+]1CCC(C[N@@H+](C)CCSc2ccccc2)CC1 ZINC000096414998 463247327 /nfs/dbraw/zinc/24/73/27/463247327.db2.gz JHTDOVSRGMQMFX-UHFFFAOYSA-N 2 1 335.517 2.169 40 0 EEABMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000195560651 464077000 /nfs/dbraw/zinc/07/70/00/464077000.db2.gz UFCDWAOWOVJUHS-UYAOXDASSA-N 2 1 331.504 2.300 40 0 EEABMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000195560651 464077006 /nfs/dbraw/zinc/07/70/06/464077006.db2.gz UFCDWAOWOVJUHS-UYAOXDASSA-N 2 1 331.504 2.300 40 0 EEABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@H]1CCOC1)CC2 ZINC000096051800 277250209 /nfs/dbraw/zinc/25/02/09/277250209.db2.gz ZHGHOJCZMQELQS-OALUTQOASA-N 2 1 345.487 2.173 40 0 EEABMP c1cncc(C[N@@H+]2CCOC3(CC[NH+](CC4CCOCC4)CC3)C2)c1 ZINC000096048943 463152589 /nfs/dbraw/zinc/15/25/89/463152589.db2.gz VDFFGKBOSSUCFB-UHFFFAOYSA-N 2 1 345.487 2.175 40 0 EEABMP c1cncc(C[N@H+]2CCOC3(CC[NH+](CC4CCOCC4)CC3)C2)c1 ZINC000096048943 463152590 /nfs/dbraw/zinc/15/25/90/463152590.db2.gz VDFFGKBOSSUCFB-UHFFFAOYSA-N 2 1 345.487 2.175 40 0 EEABMP CC(C)[N@H+](C)C[C@H]1CC[C@@]2(COCC[NH+](Cc3ccccn3)C2)O1 ZINC000096052318 463157174 /nfs/dbraw/zinc/15/71/74/463157174.db2.gz CROLVWPJRVEDGQ-RTBURBONSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[N@@H+](C)C[C@H]1CC[C@@]2(COCC[NH+](Cc3ccccn3)C2)O1 ZINC000096052318 463157176 /nfs/dbraw/zinc/15/71/76/463157176.db2.gz CROLVWPJRVEDGQ-RTBURBONSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccccn3)C2)O1 ZINC000096052318 463157180 /nfs/dbraw/zinc/15/71/80/463157180.db2.gz CROLVWPJRVEDGQ-RTBURBONSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3ccccn3)C2)O1 ZINC000096052318 463157183 /nfs/dbraw/zinc/15/71/83/463157183.db2.gz CROLVWPJRVEDGQ-RTBURBONSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[N@H+](C)C[C@H]1CC[C@]2(COCC[NH+](Cc3cccnc3)C2)O1 ZINC000107739592 463580703 /nfs/dbraw/zinc/58/07/03/463580703.db2.gz ILCYKQGOUBPGJT-MOPGFXCFSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[N@@H+](C)C[C@H]1CC[C@]2(COCC[NH+](Cc3cccnc3)C2)O1 ZINC000107739592 463580708 /nfs/dbraw/zinc/58/07/08/463580708.db2.gz ILCYKQGOUBPGJT-MOPGFXCFSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3cccnc3)C2)O1 ZINC000107739592 463580713 /nfs/dbraw/zinc/58/07/13/463580713.db2.gz ILCYKQGOUBPGJT-MOPGFXCFSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3cccnc3)C2)O1 ZINC000107739592 463580714 /nfs/dbraw/zinc/58/07/14/463580714.db2.gz ILCYKQGOUBPGJT-MOPGFXCFSA-N 2 1 333.476 2.172 40 0 EEABMP C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000257309970 463772622 /nfs/dbraw/zinc/77/26/22/463772622.db2.gz UDCYMMLQUOZFRD-UHFFFAOYSA-N 2 1 347.478 2.244 40 0 EEABMP [NH3+][C@@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]([NH+]2CCC(F)(F)CC2)[C@@H]1O ZINC000257321108 463777067 /nfs/dbraw/zinc/77/70/67/463777067.db2.gz WACKHZZDYBEEQK-KLHDSHLOSA-N 2 1 344.377 2.155 40 0 EEABMP CC[NH+]1C[C@H](C)N(C/C=C/CN2C[C@H](C)[N@@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000253418330 276249912 /nfs/dbraw/zinc/24/99/12/276249912.db2.gz JDRCZTUHLZBKII-FZXOEOEMSA-N 2 1 336.568 2.372 40 0 EEABMP CC[N@@H+]1CCC[C@@](O)(C[NH+]2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000046087872 462646575 /nfs/dbraw/zinc/64/65/75/462646575.db2.gz XLCBOXGEIJWDNX-FQEVSTJZSA-N 2 1 340.471 2.499 40 0 EEABMP CC[N@H+]1CCC[C@@](O)(C[NH+]2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000046087872 462646580 /nfs/dbraw/zinc/64/65/80/462646580.db2.gz XLCBOXGEIJWDNX-FQEVSTJZSA-N 2 1 340.471 2.499 40 0 EEABMP CC[NH+]1CCC[C@@](O)(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000046087872 462646582 /nfs/dbraw/zinc/64/65/82/462646582.db2.gz XLCBOXGEIJWDNX-FQEVSTJZSA-N 2 1 340.471 2.499 40 0 EEABMP CC[NH+]1CCC[C@@](O)(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000046087872 462646586 /nfs/dbraw/zinc/64/65/86/462646586.db2.gz XLCBOXGEIJWDNX-FQEVSTJZSA-N 2 1 340.471 2.499 40 0 EEABMP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000095406330 463078094 /nfs/dbraw/zinc/07/80/94/463078094.db2.gz JIXOXLWLOAXZOX-ROUUACIJSA-N 2 1 332.492 2.273 40 0 EEABMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)s1 ZINC000096223872 463219597 /nfs/dbraw/zinc/21/95/97/463219597.db2.gz JQAIUEAYPWMJMH-GOSISDBHSA-N 2 1 335.517 2.433 40 0 EEABMP c1cc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCCC4)[C@H]3C2)cc2c1OCO2 ZINC000096185414 463197381 /nfs/dbraw/zinc/19/73/81/463197381.db2.gz CARLFCBCKCRDHO-ABSDTBQOSA-N 2 1 344.455 2.348 40 0 EEABMP CC[C@@H]([NH2+]Cc1cccc(NC(=O)C[NH+](C)C)c1)c1cnn(C)c1 ZINC000097228275 463351358 /nfs/dbraw/zinc/35/13/58/463351358.db2.gz YYCUNRGWWKNQFJ-QGZVFWFLSA-N 2 1 329.448 2.161 40 0 EEABMP Cc1cccc(N2CCO[C@@H]3C[C@H](COCC[NH+]4CCCC4)C[C@@H]32)[nH+]1 ZINC000248093352 464729168 /nfs/dbraw/zinc/72/91/68/464729168.db2.gz MCLPXFRMIUXOPW-CEXWTWQISA-N 2 1 345.487 2.486 40 0 EEABMP COc1cccc(C[NH+]2CCC(O)(Cn3cc[nH+]c3C)CC2)c1OC ZINC000019287997 212011064 /nfs/dbraw/zinc/01/10/64/212011064.db2.gz UXUGGCDVXFBBOI-UHFFFAOYSA-N 2 1 345.443 2.236 40 0 EEABMP Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@@H+]2C2CCN(C)CC2)n1 ZINC000257263031 463757936 /nfs/dbraw/zinc/75/79/36/463757936.db2.gz LOBWXLLAJAYHJG-INIZCTEOSA-N 2 1 326.448 2.406 40 0 EEABMP C[N@H+]1CCC[C@@H](CNC(=O)c2ncccc2-c2cccc(C[NH3+])c2)C1 ZINC000257223029 536364143 /nfs/dbraw/zinc/36/41/43/536364143.db2.gz DVOQQGFJHAVLMG-INIZCTEOSA-N 2 1 338.455 2.279 40 0 EEABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)o1 ZINC000248121147 464731421 /nfs/dbraw/zinc/73/14/21/464731421.db2.gz VFMPYBXEYILCLD-OALUTQOASA-N 2 1 334.460 2.434 40 0 EEABMP Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)o1 ZINC000248121147 464731422 /nfs/dbraw/zinc/73/14/22/464731422.db2.gz VFMPYBXEYILCLD-OALUTQOASA-N 2 1 334.460 2.434 40 0 EEABMP C[NH+]1CCN(Cc2ccc(-c3c[nH]nc3[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000257222023 244188636 /nfs/dbraw/zinc/18/86/36/244188636.db2.gz DRORSTUXMJCMGG-GOSISDBHSA-N 2 1 339.487 2.291 40 0 EEABMP Cc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC000096249189 463227775 /nfs/dbraw/zinc/22/77/75/463227775.db2.gz VFBIRPYSLQYHTQ-QZTJIDSGSA-N 2 1 325.460 2.077 40 0 EEABMP Cc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC000096249189 463227781 /nfs/dbraw/zinc/22/77/81/463227781.db2.gz VFBIRPYSLQYHTQ-QZTJIDSGSA-N 2 1 325.460 2.077 40 0 EEABMP Cc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC000096249189 463227783 /nfs/dbraw/zinc/22/77/83/463227783.db2.gz VFBIRPYSLQYHTQ-QZTJIDSGSA-N 2 1 325.460 2.077 40 0 EEABMP Cc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC000096249189 463227789 /nfs/dbraw/zinc/22/77/89/463227789.db2.gz VFBIRPYSLQYHTQ-QZTJIDSGSA-N 2 1 325.460 2.077 40 0 EEABMP CC(C)[N@H+](C)C[C@@H]1CC[C@@]2(COCC[NH+](Cc3ccccn3)C2)O1 ZINC000096052317 463157154 /nfs/dbraw/zinc/15/71/54/463157154.db2.gz CROLVWPJRVEDGQ-RBUKOAKNSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[N@@H+](C)C[C@@H]1CC[C@@]2(COCC[NH+](Cc3ccccn3)C2)O1 ZINC000096052317 463157158 /nfs/dbraw/zinc/15/71/58/463157158.db2.gz CROLVWPJRVEDGQ-RBUKOAKNSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@H+](Cc3ccccn3)C2)O1 ZINC000096052317 463157162 /nfs/dbraw/zinc/15/71/62/463157162.db2.gz CROLVWPJRVEDGQ-RBUKOAKNSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3ccccn3)C2)O1 ZINC000096052317 463157165 /nfs/dbraw/zinc/15/71/65/463157165.db2.gz CROLVWPJRVEDGQ-RBUKOAKNSA-N 2 1 333.476 2.172 40 0 EEABMP CC(=O)N1[C@H](C[NH+](C)C)C[C@@H]2C[N@@H+](Cc3ccc(C)s3)CC[C@@H]21 ZINC000096185569 463198071 /nfs/dbraw/zinc/19/80/71/463198071.db2.gz NKSHMVKIKSUQOV-RYRKJORJSA-N 2 1 335.517 2.429 40 0 EEABMP C[NH+](C)CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccsc2)C1 ZINC000096188959 463200527 /nfs/dbraw/zinc/20/05/27/463200527.db2.gz TXOBISOSXHUOFJ-MRXNPFEDSA-N 2 1 334.489 2.155 40 0 EEABMP C[NH+](C)CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2ccsc2)C1 ZINC000096188959 463200532 /nfs/dbraw/zinc/20/05/32/463200532.db2.gz TXOBISOSXHUOFJ-MRXNPFEDSA-N 2 1 334.489 2.155 40 0 EEABMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1cccs1)CC2 ZINC000096196642 463201182 /nfs/dbraw/zinc/20/11/82/463201182.db2.gz OCYJWDXCJPFBBY-UHFFFAOYSA-N 2 1 331.485 2.072 40 0 EEABMP Cc1[nH+]ccn1-c1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CCO)cc1 ZINC000019288261 212011701 /nfs/dbraw/zinc/01/17/01/212011701.db2.gz KKNWIUWKISBNFJ-PMACEKPBSA-N 2 1 340.471 2.212 40 0 EEABMP Cc1[nH+]ccn1-c1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CCO)cc1 ZINC000019288261 212011703 /nfs/dbraw/zinc/01/17/03/212011703.db2.gz KKNWIUWKISBNFJ-PMACEKPBSA-N 2 1 340.471 2.212 40 0 EEABMP CO[C@]1(C)C[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000096443597 286164086 /nfs/dbraw/zinc/16/40/86/286164086.db2.gz CKBFGZXGFWHPEE-VQIMIIECSA-N 2 1 339.524 2.111 40 0 EEABMP CNC(=O)c1ccc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000066873690 215088520 /nfs/dbraw/zinc/08/85/20/215088520.db2.gz FLINEXPOCFDDAX-UHFFFAOYSA-N 2 1 345.487 2.121 40 0 EEABMP CNC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000066873690 215088522 /nfs/dbraw/zinc/08/85/22/215088522.db2.gz FLINEXPOCFDDAX-UHFFFAOYSA-N 2 1 345.487 2.121 40 0 EEABMP Cc1ccc(C)c([C@H](O)C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000072637019 216285990 /nfs/dbraw/zinc/28/59/90/216285990.db2.gz WDJGIFIVEKNYAT-AZUAARDMSA-N 2 1 331.504 2.049 40 0 EEABMP Cc1ccc(C)c([C@H](O)C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000072637019 216285992 /nfs/dbraw/zinc/28/59/92/216285992.db2.gz WDJGIFIVEKNYAT-AZUAARDMSA-N 2 1 331.504 2.049 40 0 EEABMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](CC(=O)N(C)C)C3)CC2)c1 ZINC000096157608 463189326 /nfs/dbraw/zinc/18/93/26/463189326.db2.gz SBDDFAGLWRFIOG-UHFFFAOYSA-N 2 1 345.487 2.071 40 0 EEABMP Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@H](COCC[NH+](C)C)C2)s1 ZINC000096188964 463200399 /nfs/dbraw/zinc/20/03/99/463200399.db2.gz VUQBLGQPNRFBDO-MRXNPFEDSA-N 2 1 348.516 2.463 40 0 EEABMP CC(C)[N@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccncc1)C2 ZINC000107738704 463580780 /nfs/dbraw/zinc/58/07/80/463580780.db2.gz RFTJGMYKMQFISP-RBUKOAKNSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[N@@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccncc1)C2 ZINC000107738704 463580783 /nfs/dbraw/zinc/58/07/83/463580783.db2.gz RFTJGMYKMQFISP-RBUKOAKNSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccncc1)C2 ZINC000107738704 463580786 /nfs/dbraw/zinc/58/07/86/463580786.db2.gz RFTJGMYKMQFISP-RBUKOAKNSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000107738704 463580790 /nfs/dbraw/zinc/58/07/90/463580790.db2.gz RFTJGMYKMQFISP-RBUKOAKNSA-N 2 1 333.476 2.029 40 0 EEABMP Cc1cccc(CN2CCOC[C@]3(C[C@@H](C[N@H+](C)C(C)C)CO3)C2)n1 ZINC000248114867 464731244 /nfs/dbraw/zinc/73/12/44/464731244.db2.gz LEKUUXOIBNPIGD-ICSRJNTNSA-N 2 1 347.503 2.338 40 0 EEABMP Cc1cccc(C[NH+]2CCOC[C@]3(C[C@@H](C[N@@H+](C)C(C)C)CO3)C2)n1 ZINC000248114867 464731248 /nfs/dbraw/zinc/73/12/48/464731248.db2.gz LEKUUXOIBNPIGD-ICSRJNTNSA-N 2 1 347.503 2.338 40 0 EEABMP Cc1cccc(C[NH+]2CCOC[C@]3(C[C@@H](C[N@H+](C)C(C)C)CO3)C2)n1 ZINC000248114867 464731254 /nfs/dbraw/zinc/73/12/54/464731254.db2.gz LEKUUXOIBNPIGD-ICSRJNTNSA-N 2 1 347.503 2.338 40 0 EEABMP Cc1cccc(C[N@H+]2CCOC[C@]3(C[C@@H](C[NH+](C)C(C)C)CO3)C2)n1 ZINC000248114867 464731259 /nfs/dbraw/zinc/73/12/59/464731259.db2.gz LEKUUXOIBNPIGD-ICSRJNTNSA-N 2 1 347.503 2.338 40 0 EEABMP Cc1cccc(C[N@@H+]2CCOC[C@]3(C[C@@H](C[NH+](C)C(C)C)CO3)C2)n1 ZINC000248114867 464731262 /nfs/dbraw/zinc/73/12/62/464731262.db2.gz LEKUUXOIBNPIGD-ICSRJNTNSA-N 2 1 347.503 2.338 40 0 EEABMP Cc1ccc(C[N@@H+]2CCCn3nnc(COCC[NH+](C)C)c3C2)s1 ZINC000096058826 463159329 /nfs/dbraw/zinc/15/93/29/463159329.db2.gz IQGYXZQUXYLASA-UHFFFAOYSA-N 2 1 349.504 2.132 40 0 EEABMP Cc1ccc(C[N@H+]2CCCn3nnc(COCC[NH+](C)C)c3C2)s1 ZINC000096058826 463159332 /nfs/dbraw/zinc/15/93/32/463159332.db2.gz IQGYXZQUXYLASA-UHFFFAOYSA-N 2 1 349.504 2.132 40 0 EEABMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](C4CCOCC4)CCO[C@@H]3C2)o1 ZINC000096249664 463227096 /nfs/dbraw/zinc/22/70/96/463227096.db2.gz LMUJUJNSTZUASO-VQIMIIECSA-N 2 1 334.460 2.290 40 0 EEABMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCOCC4)CCO[C@@H]3C2)o1 ZINC000096249664 463227104 /nfs/dbraw/zinc/22/71/04/463227104.db2.gz LMUJUJNSTZUASO-VQIMIIECSA-N 2 1 334.460 2.290 40 0 EEABMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](C4CCOCC4)CCO[C@@H]3C2)o1 ZINC000096249664 463227105 /nfs/dbraw/zinc/22/71/05/463227105.db2.gz LMUJUJNSTZUASO-VQIMIIECSA-N 2 1 334.460 2.290 40 0 EEABMP CC[NH+](CC)CCC[NH2+]Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012706458 462863212 /nfs/dbraw/zinc/86/32/12/462863212.db2.gz PTOYGSRZJTYUIG-UHFFFAOYSA-N 2 1 331.416 2.078 40 0 EEABMP O=C(C[NH2+]C1CC[NH+](CCc2cccs2)CC1)N1CCCCC1 ZINC000014000472 462907389 /nfs/dbraw/zinc/90/73/89/462907389.db2.gz JPTRGBQOGQSMHX-UHFFFAOYSA-N 2 1 335.517 2.357 40 0 EEABMP Cc1cccc(N2CCO[C@@H]3C[C@@H](COCC[NH+]4CCCC4)C[C@@H]32)[nH+]1 ZINC000096250528 463227593 /nfs/dbraw/zinc/22/75/93/463227593.db2.gz MCLPXFRMIUXOPW-GBESFXJTSA-N 2 1 345.487 2.486 40 0 EEABMP C[NH+]1CCC([NH2+]C[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)CC1 ZINC000096296380 463233747 /nfs/dbraw/zinc/23/37/47/463233747.db2.gz PWKKHSTXXITXGY-KRWDZBQOSA-N 2 1 344.434 2.272 40 0 biogenic,in-vitro EEABMP COCC[N@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585102962 468970922 /nfs/dbraw/zinc/97/09/22/468970922.db2.gz KCFACDMUUVGMKK-KRWDZBQOSA-N 2 1 336.476 2.395 40 0 EEABMP CCC[NH+]1CCC(N2CC[NH+](Cc3nc(C)ccc3O)CC2)CC1 ZINC000096490038 463286688 /nfs/dbraw/zinc/28/66/88/463286688.db2.gz KPVLREQKGUOPOM-UHFFFAOYSA-N 2 1 332.492 2.088 40 0 EEABMP CCc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@@H+]2C ZINC000257303551 463769969 /nfs/dbraw/zinc/76/99/69/463769969.db2.gz SHRFSTCTLNAIER-GGXPGOJBSA-N 2 1 330.476 2.309 40 0 EEABMP CCc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@H+]2C ZINC000257303551 463769976 /nfs/dbraw/zinc/76/99/76/463769976.db2.gz SHRFSTCTLNAIER-GGXPGOJBSA-N 2 1 330.476 2.309 40 0 EEABMP C[NH+](C)CCOCc1cncc2c1CC[N@H+](Cc1cccnc1)C2 ZINC000247973694 464719538 /nfs/dbraw/zinc/71/95/38/464719538.db2.gz IDCFPRSCQDTZBV-UHFFFAOYSA-N 2 1 326.444 2.113 40 0 EEABMP C[NH+](C)CCOCc1cncc2c1CC[N@@H+](Cc1cccnc1)C2 ZINC000247973694 464719545 /nfs/dbraw/zinc/71/95/45/464719545.db2.gz IDCFPRSCQDTZBV-UHFFFAOYSA-N 2 1 326.444 2.113 40 0 EEABMP Cc1ccsc1C[NH+]1CCN(C2=NO[C@H]3C[N@@H+](C(C)C)C[C@H]23)CC1 ZINC000306129344 466488355 /nfs/dbraw/zinc/48/83/55/466488355.db2.gz IBASQDVAOJDOPD-HOTGVXAUSA-N 2 1 348.516 2.227 40 0 EEABMP Cc1ccsc1C[NH+]1CCN(C2=NO[C@H]3C[N@H+](C(C)C)C[C@H]23)CC1 ZINC000306129344 466488364 /nfs/dbraw/zinc/48/83/64/466488364.db2.gz IBASQDVAOJDOPD-HOTGVXAUSA-N 2 1 348.516 2.227 40 0 EEABMP COC(=O)c1ccccc1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000096501247 463291291 /nfs/dbraw/zinc/29/12/91/463291291.db2.gz RUJVCVFHSMLTAI-RDJZCZTQSA-N 2 1 332.444 2.268 40 0 EEABMP COC(=O)c1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000096501247 463291299 /nfs/dbraw/zinc/29/12/99/463291299.db2.gz RUJVCVFHSMLTAI-RDJZCZTQSA-N 2 1 332.444 2.268 40 0 EEABMP COC(=O)c1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000096501247 463291304 /nfs/dbraw/zinc/29/13/04/463291304.db2.gz RUJVCVFHSMLTAI-RDJZCZTQSA-N 2 1 332.444 2.268 40 0 EEABMP CN(C)CC[N@@H+]1CCOCC2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000096239842 463224907 /nfs/dbraw/zinc/22/49/07/463224907.db2.gz HSETVLYKZZQGCX-UHFFFAOYSA-N 2 1 337.533 2.224 40 0 EEABMP CN(C)CC[N@H+]1CCOCC2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000096239842 463224911 /nfs/dbraw/zinc/22/49/11/463224911.db2.gz HSETVLYKZZQGCX-UHFFFAOYSA-N 2 1 337.533 2.224 40 0 EEABMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)nc1 ZINC000096249710 463226839 /nfs/dbraw/zinc/22/68/39/463226839.db2.gz XXRLBMQQKWAHHE-UYAOXDASSA-N 2 1 338.455 2.200 40 0 EEABMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)nc1 ZINC000096249710 463226844 /nfs/dbraw/zinc/22/68/44/463226844.db2.gz XXRLBMQQKWAHHE-UYAOXDASSA-N 2 1 338.455 2.200 40 0 EEABMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)nc1 ZINC000096249710 463226846 /nfs/dbraw/zinc/22/68/46/463226846.db2.gz XXRLBMQQKWAHHE-UYAOXDASSA-N 2 1 338.455 2.200 40 0 EEABMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)nc1 ZINC000096249710 463226850 /nfs/dbraw/zinc/22/68/50/463226850.db2.gz XXRLBMQQKWAHHE-UYAOXDASSA-N 2 1 338.455 2.200 40 0 EEABMP Cc1cccc(C[N@@H+]2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000107243873 463562713 /nfs/dbraw/zinc/56/27/13/463562713.db2.gz SUELMVMUFZWUCW-ICSRJNTNSA-N 2 1 345.487 2.093 40 0 EEABMP Cc1cccc(C[N@H+]2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000107243873 463562718 /nfs/dbraw/zinc/56/27/18/463562718.db2.gz SUELMVMUFZWUCW-ICSRJNTNSA-N 2 1 345.487 2.093 40 0 EEABMP CCOC(=O)[C@@H](C[NH3+])[C@@]1([NH+]2CCOCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216352244 464107340 /nfs/dbraw/zinc/10/73/40/464107340.db2.gz VFOGBNBRGRBLBX-QXGSTGNESA-N 2 1 338.492 2.042 40 0 EEABMP COCC[N@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000585104316 468971691 /nfs/dbraw/zinc/97/16/91/468971691.db2.gz YQCTWWCTYRENDE-IBGZPJMESA-N 2 1 332.488 2.493 40 0 EEABMP CN1CCC([NH2+][C@H]2C[C@@H](Cc3cc(C[NH+](C)C)on3)C2(C)C)CC1 ZINC000067889795 215242723 /nfs/dbraw/zinc/24/27/23/215242723.db2.gz RZKOEQGQKKDQJM-KDOFPFPSSA-N 2 1 334.508 2.377 40 0 biogenic,in-vitro EEABMP C[NH+]1CCC(Cc2ccccc2)(C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000257245871 244255550 /nfs/dbraw/zinc/25/55/50/244255550.db2.gz IRLAKEKJBSDVRQ-UHFFFAOYSA-N 2 1 329.488 2.105 40 0 EEABMP CC[NH+](CC)CCCNC(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020097913 212100331 /nfs/dbraw/zinc/10/03/31/212100331.db2.gz RDGMVINQNRBEMV-UHFFFAOYSA-N 2 1 348.560 2.411 40 0 EEABMP C[NH+](C)CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000096188967 463200465 /nfs/dbraw/zinc/20/04/65/463200465.db2.gz XYIUJXUNYPMEAG-QGZVFWFLSA-N 2 1 346.450 2.232 40 0 EEABMP C[NH+](C)CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000096188967 463200469 /nfs/dbraw/zinc/20/04/69/463200469.db2.gz XYIUJXUNYPMEAG-QGZVFWFLSA-N 2 1 346.450 2.232 40 0 EEABMP Cc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]C2CC[NH+](C)CC2)C3)cc1 ZINC000096269373 463233205 /nfs/dbraw/zinc/23/32/05/463233205.db2.gz OENYLPRFFIHSOK-SFHVURJKSA-N 2 1 340.471 2.441 40 0 biogenic,in-vitro EEABMP CC(=O)Nc1ccccc1CN1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000092703892 203086227 /nfs/dbraw/zinc/08/62/27/203086227.db2.gz ZZIJEAGWBCTSSR-UHFFFAOYSA-N 2 1 339.443 2.374 40 0 EEABMP Cc1cccc(C[N@H+]2CCC[C@@]3(C[C@H](C[NH+]4CCOCC4)CO3)C2)n1 ZINC000096075586 463169543 /nfs/dbraw/zinc/16/95/43/463169543.db2.gz WAUJAMRVEFMVGK-UYAOXDASSA-N 2 1 345.487 2.093 40 0 EEABMP Cc1nc(-c2ncc[nH]2)cc([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000257213823 463755949 /nfs/dbraw/zinc/75/59/49/463755949.db2.gz CJFKQGAXWJMYIS-AWEZNQCLSA-N 2 1 326.448 2.059 40 0 EEABMP Cc1nc(-c2ncc[nH]2)cc([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000257213823 463755954 /nfs/dbraw/zinc/75/59/54/463755954.db2.gz CJFKQGAXWJMYIS-AWEZNQCLSA-N 2 1 326.448 2.059 40 0 EEABMP c1ncn2c1C[N@H+](CC1CCOCC1)C[C@H]2COCc1ccncc1 ZINC000263621721 464135598 /nfs/dbraw/zinc/13/55/98/464135598.db2.gz BYICZFIPYPVNKA-IBGZPJMESA-N 2 1 342.443 2.278 40 0 EEABMP COCC[N@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1cccc(C)n1)CC2 ZINC000585102926 468970356 /nfs/dbraw/zinc/97/03/56/468970356.db2.gz IQRCAKJLIYCXSR-SFHVURJKSA-N 2 1 347.503 2.197 40 0 EEABMP c1cc(C[N@H+]2CC[C@@H]3[C@H](CC2)OCCN3CC[NH+]2CCCC2)co1 ZINC000107254996 204230543 /nfs/dbraw/zinc/23/05/43/204230543.db2.gz OJMSOMSZUNXOIH-MOPGFXCFSA-N 2 1 333.476 2.041 40 0 EEABMP CC(C)[N@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1cccnc1)C2 ZINC000107738694 204245825 /nfs/dbraw/zinc/24/58/25/204245825.db2.gz RIODWSKZRJJPQA-RBUKOAKNSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[N@@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1cccnc1)C2 ZINC000107738694 204245828 /nfs/dbraw/zinc/24/58/28/204245828.db2.gz RIODWSKZRJJPQA-RBUKOAKNSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC000107738694 204245831 /nfs/dbraw/zinc/24/58/31/204245831.db2.gz RIODWSKZRJJPQA-RBUKOAKNSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000107738694 204245834 /nfs/dbraw/zinc/24/58/34/204245834.db2.gz RIODWSKZRJJPQA-RBUKOAKNSA-N 2 1 333.476 2.029 40 0 EEABMP CNC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000093564862 463040971 /nfs/dbraw/zinc/04/09/71/463040971.db2.gz LFXWYKSZJHLOOP-UHFFFAOYSA-N 2 1 341.858 2.369 40 0 EEABMP CC(C)N1[C@H](C[NH+]2CCCC2)C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]21 ZINC000096185593 463197625 /nfs/dbraw/zinc/19/76/25/463197625.db2.gz JKENIISBHCUDQK-AABGKKOBSA-N 2 1 345.535 2.189 40 0 EEABMP CC(C)N1[C@H](C[NH+]2CCCC2)C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]21 ZINC000096185593 463197630 /nfs/dbraw/zinc/19/76/30/463197630.db2.gz JKENIISBHCUDQK-AABGKKOBSA-N 2 1 345.535 2.189 40 0 EEABMP COC[C@H]1CC2(C[N@H+]1C)CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096206923 463210626 /nfs/dbraw/zinc/21/06/26/463210626.db2.gz DJSKBDDYJJIKFB-MRXNPFEDSA-N 2 1 332.444 2.348 40 0 EEABMP CC[NH+](CC)CCCN[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC000057742186 463515488 /nfs/dbraw/zinc/51/54/88/463515488.db2.gz AHDVEEBDRNIBIQ-RTBURBONSA-N 2 1 337.483 2.082 40 0 EEABMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC000057742186 463515494 /nfs/dbraw/zinc/51/54/94/463515494.db2.gz AHDVEEBDRNIBIQ-RTBURBONSA-N 2 1 337.483 2.082 40 0 EEABMP COc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+](C)C)O3)C2)cc1 ZINC000096052289 463155814 /nfs/dbraw/zinc/15/58/14/463155814.db2.gz XZPJVHXPMILBAX-RBUKOAKNSA-N 2 1 334.460 2.007 40 0 EEABMP c1cc(C[NH+]2CCO[C@@H]3C[N@@H+](CC4CCOCC4)CC[C@@H]3C2)ccn1 ZINC000096082367 463170269 /nfs/dbraw/zinc/17/02/69/463170269.db2.gz JRHKQOFDUZNWFH-WOJBJXKFSA-N 2 1 345.487 2.031 40 0 EEABMP c1cc(C[N@@H+]2CCO[C@@H]3C[NH+](CC4CCOCC4)CC[C@@H]3C2)ccn1 ZINC000096082367 463170272 /nfs/dbraw/zinc/17/02/72/463170272.db2.gz JRHKQOFDUZNWFH-WOJBJXKFSA-N 2 1 345.487 2.031 40 0 EEABMP c1cc(C[N@H+]2CCO[C@@H]3C[NH+](CC4CCOCC4)CC[C@@H]3C2)ccn1 ZINC000096082367 463170276 /nfs/dbraw/zinc/17/02/76/463170276.db2.gz JRHKQOFDUZNWFH-WOJBJXKFSA-N 2 1 345.487 2.031 40 0 EEABMP C[NH+]1CCN(Cc2ccc(-c3c[nH]nc3[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000257222024 244188673 /nfs/dbraw/zinc/18/86/73/244188673.db2.gz DRORSTUXMJCMGG-SFHVURJKSA-N 2 1 339.487 2.291 40 0 EEABMP CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000095406329 463079003 /nfs/dbraw/zinc/07/90/03/463079003.db2.gz JIXOXLWLOAXZOX-MSOLQXFVSA-N 2 1 332.492 2.273 40 0 EEABMP c1cncc(C[N@@H+]2CC[C@@H]3O[C@H](COCC[NH+]4CCCC4)CC[C@@H]32)c1 ZINC000096186092 463197988 /nfs/dbraw/zinc/19/79/88/463197988.db2.gz IPSONUGHFBYKRI-UFYCRDLUSA-N 2 1 345.487 2.316 40 0 EEABMP C[NH+](C)CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000096188966 463200590 /nfs/dbraw/zinc/20/05/90/463200590.db2.gz XYIUJXUNYPMEAG-KRWDZBQOSA-N 2 1 346.450 2.232 40 0 EEABMP C[NH+](C)CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000096188966 463200593 /nfs/dbraw/zinc/20/05/93/463200593.db2.gz XYIUJXUNYPMEAG-KRWDZBQOSA-N 2 1 346.450 2.232 40 0 EEABMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000096489060 463285198 /nfs/dbraw/zinc/28/51/98/463285198.db2.gz RCJDLHDRVJOOPQ-IBGZPJMESA-N 2 1 329.488 2.499 40 0 EEABMP COc1cccc(C[NH+]2CCC3(CC2)C[N@H+](C)Cc2nnc(C)n23)c1 ZINC000306126923 466489770 /nfs/dbraw/zinc/48/97/70/466489770.db2.gz FJFSKKZQROSUCZ-UHFFFAOYSA-N 2 1 341.459 2.032 40 0 EEABMP COc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](C)Cc2nnc(C)n23)c1 ZINC000306126923 466489777 /nfs/dbraw/zinc/48/97/77/466489777.db2.gz FJFSKKZQROSUCZ-UHFFFAOYSA-N 2 1 341.459 2.032 40 0 EEABMP CC[N@@H+]1CCC[C@](O)(C[NH+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000041124071 285288920 /nfs/dbraw/zinc/28/89/20/285288920.db2.gz IOYRSYIQNYLCER-IBGZPJMESA-N 2 1 336.476 2.025 40 0 EEABMP CC[N@H+]1CCC[C@](O)(C[NH+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000041124071 285288926 /nfs/dbraw/zinc/28/89/26/285288926.db2.gz IOYRSYIQNYLCER-IBGZPJMESA-N 2 1 336.476 2.025 40 0 EEABMP CC[NH+]1CCC[C@](O)(C[N@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000041124071 285288932 /nfs/dbraw/zinc/28/89/32/285288932.db2.gz IOYRSYIQNYLCER-IBGZPJMESA-N 2 1 336.476 2.025 40 0 EEABMP CC[NH+]1CCC[C@](O)(C[N@@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000041124071 285288934 /nfs/dbraw/zinc/28/89/34/285288934.db2.gz IOYRSYIQNYLCER-IBGZPJMESA-N 2 1 336.476 2.025 40 0 EEABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404765 463212171 /nfs/dbraw/zinc/21/21/71/463212171.db2.gz HTPIXMZDHMKSNX-MJGOQNOKSA-N 2 1 329.488 2.483 40 0 EEABMP C[N@H+]1CCC[C@H](C(=O)N2CCN(C3CC3)C[C@H]2Cc2ccccc2)C1 ZINC000245026645 464466421 /nfs/dbraw/zinc/46/64/21/464466421.db2.gz NERJZRQOGRXWRW-AZUAARDMSA-N 2 1 341.499 2.246 40 0 EEABMP C[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](C3CC3)C[C@H]2Cc2ccccc2)C1 ZINC000245026645 464466424 /nfs/dbraw/zinc/46/64/24/464466424.db2.gz NERJZRQOGRXWRW-AZUAARDMSA-N 2 1 341.499 2.246 40 0 EEABMP C[N@H+]1CCC[C@H](C(=O)N2CC[NH+](C3CC3)C[C@H]2Cc2ccccc2)C1 ZINC000245026645 464466430 /nfs/dbraw/zinc/46/64/30/464466430.db2.gz NERJZRQOGRXWRW-AZUAARDMSA-N 2 1 341.499 2.246 40 0 EEABMP C[NH+]1CCC[C@H](C(=O)N2CC[N@@H+](C3CC3)C[C@H]2Cc2ccccc2)C1 ZINC000245026645 464466435 /nfs/dbraw/zinc/46/64/35/464466435.db2.gz NERJZRQOGRXWRW-AZUAARDMSA-N 2 1 341.499 2.246 40 0 EEABMP C[NH+]1CCC[C@H](C(=O)N2CC[N@H+](C3CC3)C[C@H]2Cc2ccccc2)C1 ZINC000245026645 464466438 /nfs/dbraw/zinc/46/64/38/464466438.db2.gz NERJZRQOGRXWRW-AZUAARDMSA-N 2 1 341.499 2.246 40 0 EEABMP CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000253370070 464994597 /nfs/dbraw/zinc/99/45/97/464994597.db2.gz LOQLKIUWMZZKFG-GUDVDZBRSA-N 2 1 344.503 2.100 40 0 EEABMP C[N@H+](Cc1ccco1)C[C@@H]1OC[C@H]2C[NH+](C[C@H]3CCOC3)CC[C@@H]12 ZINC000107202132 204227439 /nfs/dbraw/zinc/22/74/39/204227439.db2.gz QSFKPQSJLWCLGO-RWQQGDIJSA-N 2 1 334.460 2.085 40 0 EEABMP C[NH+](Cc1ccco1)C[C@@H]1OC[C@H]2C[N@H+](C[C@H]3CCOC3)CC[C@@H]12 ZINC000107202132 204227443 /nfs/dbraw/zinc/22/74/43/204227443.db2.gz QSFKPQSJLWCLGO-RWQQGDIJSA-N 2 1 334.460 2.085 40 0 EEABMP C[NH+](Cc1ccco1)C[C@@H]1OC[C@H]2C[N@@H+](C[C@H]3CCOC3)CC[C@@H]12 ZINC000107202132 204227446 /nfs/dbraw/zinc/22/74/46/204227446.db2.gz QSFKPQSJLWCLGO-RWQQGDIJSA-N 2 1 334.460 2.085 40 0 EEABMP CC(C)[N@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccncc1)C2 ZINC000107738699 204244812 /nfs/dbraw/zinc/24/48/12/204244812.db2.gz RFTJGMYKMQFISP-RTBURBONSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[N@@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccncc1)C2 ZINC000107738699 204244817 /nfs/dbraw/zinc/24/48/17/204244817.db2.gz RFTJGMYKMQFISP-RTBURBONSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccncc1)C2 ZINC000107738699 204244823 /nfs/dbraw/zinc/24/48/23/204244823.db2.gz RFTJGMYKMQFISP-RTBURBONSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000107738699 204244827 /nfs/dbraw/zinc/24/48/27/204244827.db2.gz RFTJGMYKMQFISP-RTBURBONSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[N@H+](C)C[C@@H]1CC[C@]2(COCC[NH+](Cc3ccccn3)C2)O1 ZINC000107739580 204246473 /nfs/dbraw/zinc/24/64/73/204246473.db2.gz CROLVWPJRVEDGQ-OALUTQOASA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[N@@H+](C)C[C@@H]1CC[C@]2(COCC[NH+](Cc3ccccn3)C2)O1 ZINC000107739580 204246477 /nfs/dbraw/zinc/24/64/77/204246477.db2.gz CROLVWPJRVEDGQ-OALUTQOASA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CC[C@]2(COCC[N@H+](Cc3ccccn3)C2)O1 ZINC000107739580 204246480 /nfs/dbraw/zinc/24/64/80/204246480.db2.gz CROLVWPJRVEDGQ-OALUTQOASA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3ccccn3)C2)O1 ZINC000107739580 204246483 /nfs/dbraw/zinc/24/64/83/204246483.db2.gz CROLVWPJRVEDGQ-OALUTQOASA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[N@H+](C)C[C@H]1CC[C@@]2(COCC[NH+](Cc3cccnc3)C2)O1 ZINC000096052320 463156115 /nfs/dbraw/zinc/15/61/15/463156115.db2.gz ILCYKQGOUBPGJT-RTBURBONSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[N@@H+](C)C[C@H]1CC[C@@]2(COCC[NH+](Cc3cccnc3)C2)O1 ZINC000096052320 463156120 /nfs/dbraw/zinc/15/61/20/463156120.db2.gz ILCYKQGOUBPGJT-RTBURBONSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CC[C@@]2(COCC[N@H+](Cc3cccnc3)C2)O1 ZINC000096052320 463156123 /nfs/dbraw/zinc/15/61/23/463156123.db2.gz ILCYKQGOUBPGJT-RTBURBONSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3cccnc3)C2)O1 ZINC000096052320 463156127 /nfs/dbraw/zinc/15/61/27/463156127.db2.gz ILCYKQGOUBPGJT-RTBURBONSA-N 2 1 333.476 2.172 40 0 EEABMP COc1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+](C)C)O3)C2)cc1 ZINC000096052292 463157201 /nfs/dbraw/zinc/15/72/01/463157201.db2.gz XZPJVHXPMILBAX-MOPGFXCFSA-N 2 1 334.460 2.007 40 0 EEABMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096196648 463202104 /nfs/dbraw/zinc/20/21/04/463202104.db2.gz VOLULPQWGQCWLH-UHFFFAOYSA-N 2 1 343.446 2.150 40 0 EEABMP COCC[NH+]1CCC2(C[C@H](COC)[N@H+](Cc3nccs3)C2)CC1 ZINC000096240343 463225264 /nfs/dbraw/zinc/22/52/64/463225264.db2.gz GUJUVFUOFJRFFR-OAHLLOKOSA-N 2 1 339.505 2.092 40 0 EEABMP COCC[NH+]1CCC2(C[C@H](COC)[N@@H+](Cc3nccs3)C2)CC1 ZINC000096240343 463225270 /nfs/dbraw/zinc/22/52/70/463225270.db2.gz GUJUVFUOFJRFFR-OAHLLOKOSA-N 2 1 339.505 2.092 40 0 EEABMP CNC(=O)C[NH+]1CCC(CN(C)c2cc[nH+]c3ccsc32)CC1 ZINC000096429545 463259017 /nfs/dbraw/zinc/25/90/17/463259017.db2.gz WFYJSEUXDMONSQ-UHFFFAOYSA-N 2 1 332.473 2.191 40 0 EEABMP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000097229704 463351483 /nfs/dbraw/zinc/35/14/83/463351483.db2.gz PSQPNUJGBWLTSM-WOJBJXKFSA-N 3 1 343.515 2.360 40 0 EEABMP OC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000097229704 463351491 /nfs/dbraw/zinc/35/14/91/463351491.db2.gz PSQPNUJGBWLTSM-WOJBJXKFSA-N 2 1 343.515 2.360 40 0 EEABMP OC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000097229704 463351500 /nfs/dbraw/zinc/35/15/00/463351500.db2.gz PSQPNUJGBWLTSM-WOJBJXKFSA-N 2 1 343.515 2.360 40 0 EEABMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000252585967 464984385 /nfs/dbraw/zinc/98/43/85/464984385.db2.gz MMEZOPIAQKQLAW-NXHRZFHOSA-N 2 1 346.471 2.437 40 0 EEABMP c1ccc(C[N@@H+]2CCOC3(CC[NH+](CC4CCOCC4)CC3)C2)nc1 ZINC000096048967 463153565 /nfs/dbraw/zinc/15/35/65/463153565.db2.gz OLWMHBLOMYCVDR-UHFFFAOYSA-N 2 1 345.487 2.175 40 0 EEABMP c1ccc(C[N@H+]2CCOC3(CC[NH+](CC4CCOCC4)CC3)C2)nc1 ZINC000096048967 463153569 /nfs/dbraw/zinc/15/35/69/463153569.db2.gz OLWMHBLOMYCVDR-UHFFFAOYSA-N 2 1 345.487 2.175 40 0 EEABMP Cc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC[NH+](C)C)CC2)n1 ZINC000096217717 463215551 /nfs/dbraw/zinc/21/55/51/463215551.db2.gz QNVQHFLNSODZEE-FQEVSTJZSA-N 2 1 344.503 2.299 40 0 EEABMP C[N@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](C3CCOCC3)C2)C1 ZINC000096209630 463213336 /nfs/dbraw/zinc/21/33/36/463213336.db2.gz PKBBEYDCXYPSQS-YLJYHZDGSA-N 2 1 345.487 2.031 40 0 EEABMP C[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000096209630 463213339 /nfs/dbraw/zinc/21/33/39/463213339.db2.gz PKBBEYDCXYPSQS-YLJYHZDGSA-N 2 1 345.487 2.031 40 0 EEABMP C[NH+]1C[C@H](COCc2ccccn2)[C@]2(CC[N@H+](C3CCOCC3)C2)C1 ZINC000096209630 463213342 /nfs/dbraw/zinc/21/33/42/463213342.db2.gz PKBBEYDCXYPSQS-YLJYHZDGSA-N 2 1 345.487 2.031 40 0 EEABMP Cn1cccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096038471 463142975 /nfs/dbraw/zinc/14/29/75/463142975.db2.gz SYVJPEIOCVGAQL-UHFFFAOYSA-N 2 1 340.471 2.287 40 0 EEABMP Cn1cccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096038471 463142979 /nfs/dbraw/zinc/14/29/79/463142979.db2.gz SYVJPEIOCVGAQL-UHFFFAOYSA-N 2 1 340.471 2.287 40 0 EEABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccc(F)cc1 ZINC000096055210 463157999 /nfs/dbraw/zinc/15/79/99/463157999.db2.gz ZRIRAWQRHWOJEO-YTQUADARSA-N 2 1 336.451 2.383 40 0 EEABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1ccc(F)cc1 ZINC000096055210 463158002 /nfs/dbraw/zinc/15/80/02/463158002.db2.gz ZRIRAWQRHWOJEO-YTQUADARSA-N 2 1 336.451 2.383 40 0 EEABMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000028220971 463219294 /nfs/dbraw/zinc/21/92/94/463219294.db2.gz JIGARXCIJZWIME-MRXNPFEDSA-N 2 1 335.879 2.326 40 0 EEABMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000028220971 463219299 /nfs/dbraw/zinc/21/92/99/463219299.db2.gz JIGARXCIJZWIME-MRXNPFEDSA-N 2 1 335.879 2.326 40 0 EEABMP Cc1ccc(CC[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000096412962 463245038 /nfs/dbraw/zinc/24/50/38/463245038.db2.gz OQVRTGJVXUKZOK-UHFFFAOYSA-N 2 1 343.515 2.414 40 0 EEABMP CC[NH+](CC)CCCN[C@@H]1CC[N@H+](Cc2cccc(F)c2)C[C@H]1O ZINC000057742201 463516031 /nfs/dbraw/zinc/51/60/31/463516031.db2.gz KXMMUYSBUXJHNJ-RTBURBONSA-N 2 1 337.483 2.082 40 0 EEABMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C[C@H]1O ZINC000057742201 463516038 /nfs/dbraw/zinc/51/60/38/463516038.db2.gz KXMMUYSBUXJHNJ-RTBURBONSA-N 2 1 337.483 2.082 40 0 EEABMP O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(F)cc2)N1CC[NH+]1CCCC1 ZINC000107198439 463560805 /nfs/dbraw/zinc/56/08/05/463560805.db2.gz HSMCIWNGOAOSLI-ZWKOTPCHSA-N 2 1 331.435 2.097 40 0 EEABMP CC(C)[N@H+](C)C[C@@H]1CC[C@]2(COCC[NH+](Cc3cccnc3)C2)O1 ZINC000107739588 463580671 /nfs/dbraw/zinc/58/06/71/463580671.db2.gz ILCYKQGOUBPGJT-OALUTQOASA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[N@@H+](C)C[C@@H]1CC[C@]2(COCC[NH+](Cc3cccnc3)C2)O1 ZINC000107739588 463580674 /nfs/dbraw/zinc/58/06/74/463580674.db2.gz ILCYKQGOUBPGJT-OALUTQOASA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CC[C@]2(COCC[N@H+](Cc3cccnc3)C2)O1 ZINC000107739588 463580677 /nfs/dbraw/zinc/58/06/77/463580677.db2.gz ILCYKQGOUBPGJT-OALUTQOASA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3cccnc3)C2)O1 ZINC000107739588 463580681 /nfs/dbraw/zinc/58/06/81/463580681.db2.gz ILCYKQGOUBPGJT-OALUTQOASA-N 2 1 333.476 2.172 40 0 EEABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)o1 ZINC000096052017 463154777 /nfs/dbraw/zinc/15/47/77/463154777.db2.gz QXSQGNSVZIVTGL-MJGOQNOKSA-N 2 1 334.460 2.291 40 0 EEABMP Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)o1 ZINC000096052017 463154781 /nfs/dbraw/zinc/15/47/81/463154781.db2.gz QXSQGNSVZIVTGL-MJGOQNOKSA-N 2 1 334.460 2.291 40 0 EEABMP c1cc(C[N@H+]2CC[C@@H]3[C@@H](C[NH+]4CCCC4)OC[C@@H]3C2)cc2c1OCO2 ZINC000096064295 463162629 /nfs/dbraw/zinc/16/26/29/463162629.db2.gz JZMQKPXJOUSYFY-ABSDTBQOSA-N 2 1 344.455 2.348 40 0 EEABMP C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000097101615 463324122 /nfs/dbraw/zinc/32/41/22/463324122.db2.gz NKXHMPSNPVVMJO-MOPGFXCFSA-N 2 1 344.503 2.244 40 0 EEABMP CNC(=O)COc1ccccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000195570904 464079266 /nfs/dbraw/zinc/07/92/66/464079266.db2.gz UTCYKMBPHKNAAK-UHFFFAOYSA-N 2 1 333.476 2.210 40 0 EEABMP Cc1nnc(CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000249293325 464860369 /nfs/dbraw/zinc/86/03/69/464860369.db2.gz MPTYZCMSSRRXMF-QWHZDKJVSA-N 2 1 327.476 2.370 40 0 EEABMP Cc1cnc(C[N@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cn1 ZINC000585171889 468994664 /nfs/dbraw/zinc/99/46/64/468994664.db2.gz PTXQUYPTGJTKMU-OAHLLOKOSA-N 2 1 335.415 2.140 40 0 EEABMP Cc1cnc(CN2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cn1 ZINC000585171889 468994669 /nfs/dbraw/zinc/99/46/69/468994669.db2.gz PTXQUYPTGJTKMU-OAHLLOKOSA-N 2 1 335.415 2.140 40 0 EEABMP CC(C)[N@H+](C)C[C@H]1CC[C@@]2(COCC[NH+](Cc3ccncc3)C2)O1 ZINC000096052322 463155892 /nfs/dbraw/zinc/15/58/92/463155892.db2.gz MERXWBOWQWLKRT-RTBURBONSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[N@@H+](C)C[C@H]1CC[C@@]2(COCC[NH+](Cc3ccncc3)C2)O1 ZINC000096052322 463155895 /nfs/dbraw/zinc/15/58/95/463155895.db2.gz MERXWBOWQWLKRT-RTBURBONSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccncc3)C2)O1 ZINC000096052322 463155899 /nfs/dbraw/zinc/15/58/99/463155899.db2.gz MERXWBOWQWLKRT-RTBURBONSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3ccncc3)C2)O1 ZINC000096052322 463155902 /nfs/dbraw/zinc/15/59/02/463155902.db2.gz MERXWBOWQWLKRT-RTBURBONSA-N 2 1 333.476 2.172 40 0 EEABMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(F)cc3)C2)C1=O ZINC000096223902 463219742 /nfs/dbraw/zinc/21/97/42/463219742.db2.gz ICEBMIWCZOUQGQ-IBGZPJMESA-N 2 1 333.451 2.202 40 0 EEABMP COc1cccc(CCC[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000096424369 463255328 /nfs/dbraw/zinc/25/53/28/463255328.db2.gz WIGKUFFABFMUPH-IBGZPJMESA-N 2 1 331.504 2.340 40 0 EEABMP Cc1cccc(NC2CCN(C(=O)C[N@@H+](C)[C@@H]3CCSC3)CC2)[nH+]1 ZINC000096486760 463285589 /nfs/dbraw/zinc/28/55/89/463285589.db2.gz QSJUITCURJONCR-MRXNPFEDSA-N 2 1 348.516 2.230 40 0 EEABMP Cc1cccc(NC2CCN(C(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)[nH+]1 ZINC000096486760 463285595 /nfs/dbraw/zinc/28/55/95/463285595.db2.gz QSJUITCURJONCR-MRXNPFEDSA-N 2 1 348.516 2.230 40 0 EEABMP Cc1cccc(C[N@H+]2CCC[C@]3(C[C@@H](C[NH+]4CCOCC4)CO3)C2)n1 ZINC000107790499 463583012 /nfs/dbraw/zinc/58/30/12/463583012.db2.gz WAUJAMRVEFMVGK-ICSRJNTNSA-N 2 1 345.487 2.093 40 0 EEABMP CCOC(=O)[C@H](C[NH3+])[C@@]1([NH+]2CCOCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216352289 464107119 /nfs/dbraw/zinc/10/71/19/464107119.db2.gz VFOGBNBRGRBLBX-LNMJFAINSA-N 2 1 338.492 2.042 40 0 EEABMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000245338967 464471175 /nfs/dbraw/zinc/47/11/75/464471175.db2.gz PSGYVYOJTRTZGP-HKBOAZHASA-N 3 1 342.531 2.192 40 0 EEABMP C[NH+]1CCN(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000245338967 464471184 /nfs/dbraw/zinc/47/11/84/464471184.db2.gz PSGYVYOJTRTZGP-HKBOAZHASA-N 3 1 342.531 2.192 40 0 EEABMP C[NH+]1CCN(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000245338967 464471190 /nfs/dbraw/zinc/47/11/90/464471190.db2.gz PSGYVYOJTRTZGP-HKBOAZHASA-N 3 1 342.531 2.192 40 0 EEABMP CN1CCN(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000245338967 464471194 /nfs/dbraw/zinc/47/11/94/464471194.db2.gz PSGYVYOJTRTZGP-HKBOAZHASA-N 2 1 342.531 2.192 40 0 EEABMP CN1CCN(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000245338967 464471200 /nfs/dbraw/zinc/47/12/00/464471200.db2.gz PSGYVYOJTRTZGP-HKBOAZHASA-N 2 1 342.531 2.192 40 0 EEABMP COC[C@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000248164503 464735860 /nfs/dbraw/zinc/73/58/60/464735860.db2.gz ZBKGURVMTXYGPJ-MRXNPFEDSA-N 2 1 332.444 2.206 40 0 EEABMP C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000113971951 462619667 /nfs/dbraw/zinc/61/96/67/462619667.db2.gz WMPKSKPRYGTZOL-INIZCTEOSA-N 2 1 333.451 2.248 40 0 EEABMP Cc1cccc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000096240652 463225999 /nfs/dbraw/zinc/22/59/99/463225999.db2.gz SUELMVMUFZWUCW-UYAOXDASSA-N 2 1 345.487 2.093 40 0 EEABMP Cc1cccc(C[N@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000096240652 463226001 /nfs/dbraw/zinc/22/60/01/463226001.db2.gz SUELMVMUFZWUCW-UYAOXDASSA-N 2 1 345.487 2.093 40 0 EEABMP c1cc(C[N@@H+]2CC[C@H]3OCCN(CC[NH+]4CCCC4)[C@H]3CC2)co1 ZINC000096249349 463226764 /nfs/dbraw/zinc/22/67/64/463226764.db2.gz OJMSOMSZUNXOIH-RBUKOAKNSA-N 2 1 333.476 2.041 40 0 EEABMP Cc1cc(C[NH+]2CCC3(C[N@@H+](C)C[C@@H]3COCC3CC3)CC2)n(C)n1 ZINC000585103917 468970182 /nfs/dbraw/zinc/97/01/82/468970182.db2.gz UBPPIGSSFAKCRZ-GOSISDBHSA-N 2 1 346.519 2.299 40 0 EEABMP CN(C)C(=O)[C@@]12CCC3(CC[NH+](Cc4ccoc4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096036282 463142231 /nfs/dbraw/zinc/14/22/31/463142231.db2.gz SVFPHWHVVOXBRN-FXAWDEMLSA-N 2 1 345.487 2.292 40 0 EEABMP Cc1cc(C)c(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c(C)c1 ZINC000096474687 463280020 /nfs/dbraw/zinc/28/00/20/463280020.db2.gz LWIFYBHJRJZSOZ-UHFFFAOYSA-N 2 1 339.487 2.443 40 0 EEABMP c1cc(C[N@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)cs1 ZINC000107738768 463580373 /nfs/dbraw/zinc/58/03/73/463580373.db2.gz QQZAVYHQRVWIMO-ZWKOTPCHSA-N 2 1 336.501 2.451 40 0 EEABMP c1cc(C[N@@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)cs1 ZINC000107738768 463580376 /nfs/dbraw/zinc/58/03/76/463580376.db2.gz QQZAVYHQRVWIMO-ZWKOTPCHSA-N 2 1 336.501 2.451 40 0 EEABMP CC(C)[N@H+](C)C[C@H]1CC[C@]2(COCC[NH+](Cc3ccccn3)C2)O1 ZINC000107739584 279383720 /nfs/dbraw/zinc/38/37/20/279383720.db2.gz CROLVWPJRVEDGQ-MOPGFXCFSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[N@@H+](C)C[C@H]1CC[C@]2(COCC[NH+](Cc3ccccn3)C2)O1 ZINC000107739584 279383726 /nfs/dbraw/zinc/38/37/26/279383726.db2.gz CROLVWPJRVEDGQ-MOPGFXCFSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3ccccn3)C2)O1 ZINC000107739584 279383729 /nfs/dbraw/zinc/38/37/29/279383729.db2.gz CROLVWPJRVEDGQ-MOPGFXCFSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccccn3)C2)O1 ZINC000107739584 279383732 /nfs/dbraw/zinc/38/37/32/279383732.db2.gz CROLVWPJRVEDGQ-MOPGFXCFSA-N 2 1 333.476 2.172 40 0 EEABMP c1csc(C[N@@H+]2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000107738763 463580983 /nfs/dbraw/zinc/58/09/83/463580983.db2.gz YANOCVUOIJRALB-WMZOPIPTSA-N 2 1 336.501 2.451 40 0 EEABMP CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)C[N@@H+](C)C3CCCC3)CCO2)c1 ZINC000257332813 463781443 /nfs/dbraw/zinc/78/14/43/463781443.db2.gz XYUCVWVOIGMSLT-SFHVURJKSA-N 2 1 346.475 2.206 40 0 EEABMP CCOC(=O)[C@H](C[NH3+])[C@]1([NH+]2CCOCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216352199 464106812 /nfs/dbraw/zinc/10/68/12/464106812.db2.gz VFOGBNBRGRBLBX-STEAMIEHSA-N 2 1 338.492 2.042 40 0 EEABMP CC[N@H+](Cc1ccc2c(c1)OCCO2)C[C@]1(O)CCC[NH+](CC)C1 ZINC000040714643 213372767 /nfs/dbraw/zinc/37/27/67/213372767.db2.gz UUXAZPBWOQOBIM-IBGZPJMESA-N 2 1 334.460 2.127 40 0 EEABMP CC[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@]1(O)CCC[NH+](CC)C1 ZINC000040714643 213372769 /nfs/dbraw/zinc/37/27/69/213372769.db2.gz UUXAZPBWOQOBIM-IBGZPJMESA-N 2 1 334.460 2.127 40 0 EEABMP CC[NH+](Cc1ccc2c(c1)OCCO2)C[C@]1(O)CCC[N@H+](CC)C1 ZINC000040714643 213372772 /nfs/dbraw/zinc/37/27/72/213372772.db2.gz UUXAZPBWOQOBIM-IBGZPJMESA-N 2 1 334.460 2.127 40 0 EEABMP CC[NH+](Cc1ccc2c(c1)OCCO2)C[C@]1(O)CCC[N@@H+](CC)C1 ZINC000040714643 213372774 /nfs/dbraw/zinc/37/27/74/213372774.db2.gz UUXAZPBWOQOBIM-IBGZPJMESA-N 2 1 334.460 2.127 40 0 EEABMP CO[C@]1(C)C[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000096443598 286166934 /nfs/dbraw/zinc/16/69/34/286166934.db2.gz CKBFGZXGFWHPEE-QFBILLFUSA-N 2 1 339.524 2.111 40 0 EEABMP C[NH+](C)CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccsc2)C1 ZINC000096188958 463200211 /nfs/dbraw/zinc/20/02/11/463200211.db2.gz TXOBISOSXHUOFJ-INIZCTEOSA-N 2 1 334.489 2.155 40 0 EEABMP C[NH+](C)CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccsc2)C1 ZINC000096188958 463200218 /nfs/dbraw/zinc/20/02/18/463200218.db2.gz TXOBISOSXHUOFJ-INIZCTEOSA-N 2 1 334.489 2.155 40 0 EEABMP CC(C)[NH+]1CCC(Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000195557893 464076181 /nfs/dbraw/zinc/07/61/81/464076181.db2.gz WWFKXDKTWPJPPC-IBGZPJMESA-N 2 1 344.503 2.421 40 0 EEABMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](C[NH+]4CCOCC4)OC[C@@H]3C2)oc1C ZINC000096185266 463196440 /nfs/dbraw/zinc/19/64/40/463196440.db2.gz IZXXLIGOLKUHHS-YTQUADARSA-N 2 1 334.460 2.066 40 0 EEABMP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](C[NH+]4CCOCC4)OC[C@@H]3C2)oc1C ZINC000096185266 463196443 /nfs/dbraw/zinc/19/64/43/463196443.db2.gz IZXXLIGOLKUHHS-YTQUADARSA-N 2 1 334.460 2.066 40 0 EEABMP C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@]12CCN(CC[NH+](C)C)C2=O ZINC000096201652 463207488 /nfs/dbraw/zinc/20/74/88/463207488.db2.gz YUQKJSBXKVRYAN-DNVCBOLYSA-N 2 1 333.451 2.058 40 0 EEABMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(F)cc3)C2)C1=O ZINC000096223905 463219254 /nfs/dbraw/zinc/21/92/54/463219254.db2.gz ICEBMIWCZOUQGQ-LJQANCHMSA-N 2 1 333.451 2.202 40 0 EEABMP Cc1ccc(C)c([C@H](O)C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000072637016 216285453 /nfs/dbraw/zinc/28/54/53/216285453.db2.gz WDJGIFIVEKNYAT-UYAOXDASSA-N 2 1 331.504 2.049 40 0 EEABMP Cc1ccc(C)c([C@H](O)C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000072637016 216285457 /nfs/dbraw/zinc/28/54/57/216285457.db2.gz WDJGIFIVEKNYAT-UYAOXDASSA-N 2 1 331.504 2.049 40 0 EEABMP Cc1cc(N2CCC([NH2+][C@@H](C)CCn3cccn3)CC2)nc(C)[nH+]1 ZINC000158930714 225111626 /nfs/dbraw/zinc/11/16/26/225111626.db2.gz MBSTYJIAJBGEFC-AWEZNQCLSA-N 2 1 328.464 2.327 40 0 EEABMP CCC[N@H+]1Cc2ccccc2C2(CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000096242440 276014682 /nfs/dbraw/zinc/01/46/82/276014682.db2.gz LCLGQFGLAUREKR-UHFFFAOYSA-N 2 1 329.488 2.334 40 0 EEABMP COc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCC[NH+](C)C)cc1 ZINC000096055212 463157812 /nfs/dbraw/zinc/15/78/12/463157812.db2.gz QQGYWMKDZYYSIZ-DFQSSKMNSA-N 2 1 348.487 2.253 40 0 EEABMP COc1ccc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCC[NH+](C)C)cc1 ZINC000096055212 463157817 /nfs/dbraw/zinc/15/78/17/463157817.db2.gz QQGYWMKDZYYSIZ-DFQSSKMNSA-N 2 1 348.487 2.253 40 0 EEABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391087 217219240 /nfs/dbraw/zinc/21/92/40/217219240.db2.gz CUMCIWAJMLVAPO-MJGOQNOKSA-N 2 1 329.488 2.483 40 0 EEABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccc(F)cc1 ZINC000096055208 463156091 /nfs/dbraw/zinc/15/60/91/463156091.db2.gz ZRIRAWQRHWOJEO-QXAKKESOSA-N 2 1 336.451 2.383 40 0 EEABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1ccc(F)cc1 ZINC000096055208 463156096 /nfs/dbraw/zinc/15/60/96/463156096.db2.gz ZRIRAWQRHWOJEO-QXAKKESOSA-N 2 1 336.451 2.383 40 0 EEABMP Cc1ccc(C[N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)s1 ZINC000096196647 463201787 /nfs/dbraw/zinc/20/17/87/463201787.db2.gz WMHBQROIUNEUEI-UHFFFAOYSA-N 2 1 345.512 2.381 40 0 EEABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)o1 ZINC000107738786 463581281 /nfs/dbraw/zinc/58/12/81/463581281.db2.gz QXSQGNSVZIVTGL-HKUYNNGSSA-N 2 1 334.460 2.291 40 0 EEABMP Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)o1 ZINC000107738786 463581285 /nfs/dbraw/zinc/58/12/85/463581285.db2.gz QXSQGNSVZIVTGL-HKUYNNGSSA-N 2 1 334.460 2.291 40 0 EEABMP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000253370353 464994677 /nfs/dbraw/zinc/99/46/77/464994677.db2.gz PSQPNUJGBWLTSM-UXHICEINSA-N 3 1 343.515 2.360 40 0 EEABMP OC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000253370353 464994682 /nfs/dbraw/zinc/99/46/82/464994682.db2.gz PSQPNUJGBWLTSM-UXHICEINSA-N 2 1 343.515 2.360 40 0 EEABMP OC1CC[NH+](Cc2ccc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000253370353 464994691 /nfs/dbraw/zinc/99/46/91/464994691.db2.gz PSQPNUJGBWLTSM-UXHICEINSA-N 2 1 343.515 2.360 40 0 EEABMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CC[NH+](C)C)CC2)n1 ZINC000096217715 463215497 /nfs/dbraw/zinc/21/54/97/463215497.db2.gz QNVQHFLNSODZEE-HXUWFJFHSA-N 2 1 344.503 2.299 40 0 EEABMP Cc1cccc(N2CCO[C@@H]3C[C@H](COCC[NH+]4CCCC4)C[C@H]32)[nH+]1 ZINC000248093358 464729066 /nfs/dbraw/zinc/72/90/66/464729066.db2.gz MCLPXFRMIUXOPW-GUDVDZBRSA-N 2 1 345.487 2.486 40 0 EEABMP Cc1cc(C[NH+]2CCC3(C[N@@H+](C)C[C@H]3COCC3CC3)CC2)n(C)n1 ZINC000585103922 468970896 /nfs/dbraw/zinc/97/08/96/468970896.db2.gz UBPPIGSSFAKCRZ-SFHVURJKSA-N 2 1 346.519 2.299 40 0 EEABMP CC[NH+](CC)CCC[NH2+]Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000013999229 462907473 /nfs/dbraw/zinc/90/74/73/462907473.db2.gz HBPPHLKFOOIKMM-UHFFFAOYSA-N 2 1 347.459 2.367 40 0 EEABMP Cc1cccc(C[NH+]2CCOC[C@@]3(C[C@H](C[N@@H+](C)C(C)C)CO3)C2)n1 ZINC000096078533 463168985 /nfs/dbraw/zinc/16/89/85/463168985.db2.gz LEKUUXOIBNPIGD-UYAOXDASSA-N 2 1 347.503 2.338 40 0 EEABMP Cc1cccc(C[NH+]2CCOC[C@@]3(C[C@H](C[N@H+](C)C(C)C)CO3)C2)n1 ZINC000096078533 463168990 /nfs/dbraw/zinc/16/89/90/463168990.db2.gz LEKUUXOIBNPIGD-UYAOXDASSA-N 2 1 347.503 2.338 40 0 EEABMP Cc1cccc(C[N@H+]2CCOC[C@@]3(C[C@H](C[NH+](C)C(C)C)CO3)C2)n1 ZINC000096078533 463168993 /nfs/dbraw/zinc/16/89/93/463168993.db2.gz LEKUUXOIBNPIGD-UYAOXDASSA-N 2 1 347.503 2.338 40 0 EEABMP Cc1cccc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+](C)C(C)C)CO3)C2)n1 ZINC000096078533 463168997 /nfs/dbraw/zinc/16/89/97/463168997.db2.gz LEKUUXOIBNPIGD-UYAOXDASSA-N 2 1 347.503 2.338 40 0 EEABMP c1csc(C[N@@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000096052011 463154672 /nfs/dbraw/zinc/15/46/72/463154672.db2.gz YANOCVUOIJRALB-AEFFLSMTSA-N 2 1 336.501 2.451 40 0 EEABMP COCC[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OC)c1)CCO2 ZINC000096158874 463190673 /nfs/dbraw/zinc/19/06/73/463190673.db2.gz RJWNCQTYPDOGJL-UHFFFAOYSA-N 2 1 334.460 2.008 40 0 EEABMP COCC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OC)c1)CCO2 ZINC000096158874 463190677 /nfs/dbraw/zinc/19/06/77/463190677.db2.gz RJWNCQTYPDOGJL-UHFFFAOYSA-N 2 1 334.460 2.008 40 0 EEABMP CC(C)[NH+]1CCC([NH2+][C@H](C)Cn2ncc3ccccc3c2=O)CC1 ZINC000097238301 463352180 /nfs/dbraw/zinc/35/21/80/463352180.db2.gz YRKBWBZAZMOSGC-OAHLLOKOSA-N 2 1 328.460 2.247 40 0 EEABMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000195545526 464075015 /nfs/dbraw/zinc/07/50/15/464075015.db2.gz PSGYVYOJTRTZGP-NJDAHSKKSA-N 3 1 342.531 2.192 40 0 EEABMP C[NH+]1CCN(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000195545526 464075021 /nfs/dbraw/zinc/07/50/21/464075021.db2.gz PSGYVYOJTRTZGP-NJDAHSKKSA-N 3 1 342.531 2.192 40 0 EEABMP C[NH+]1CCN(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000195545526 464075028 /nfs/dbraw/zinc/07/50/28/464075028.db2.gz PSGYVYOJTRTZGP-NJDAHSKKSA-N 3 1 342.531 2.192 40 0 EEABMP CN1CCN(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000195545526 464075035 /nfs/dbraw/zinc/07/50/35/464075035.db2.gz PSGYVYOJTRTZGP-NJDAHSKKSA-N 2 1 342.531 2.192 40 0 EEABMP CN1CCN(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000195545526 464075042 /nfs/dbraw/zinc/07/50/42/464075042.db2.gz PSGYVYOJTRTZGP-NJDAHSKKSA-N 2 1 342.531 2.192 40 0 EEABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1ccc(F)cc1 ZINC000248065000 464728590 /nfs/dbraw/zinc/72/85/90/464728590.db2.gz ZRIRAWQRHWOJEO-UHOSZYNNSA-N 2 1 336.451 2.383 40 0 EEABMP C[NH+](C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1ccc(F)cc1 ZINC000248065000 464728597 /nfs/dbraw/zinc/72/85/97/464728597.db2.gz ZRIRAWQRHWOJEO-UHOSZYNNSA-N 2 1 336.451 2.383 40 0 EEABMP Cc1cccc(C[N@H+]2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)c1 ZINC000019234937 524404472 /nfs/dbraw/zinc/40/44/72/524404472.db2.gz KAMMIDJUPWGDSL-MRXNPFEDSA-N 2 1 336.443 2.083 40 0 EEABMP C([NH2+]C1CCC2(CC1)OCCO2)C1([NH+]2CCCCC2)CCOCC1 ZINC000156535633 463037339 /nfs/dbraw/zinc/03/73/39/463037339.db2.gz PPTNUUGOLXSGML-UHFFFAOYSA-N 2 1 338.492 2.297 40 0 EEABMP c1ccc(C[N@@H+]2CC[C@@H]3O[C@@H](COCC[NH+]4CCCC4)CC[C@@H]32)nc1 ZINC000096186701 463199466 /nfs/dbraw/zinc/19/94/66/463199466.db2.gz VZVYQYFZWKVBAH-AABGKKOBSA-N 2 1 345.487 2.316 40 0 EEABMP CC(C)[NH+]1CCC(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000097238302 463352514 /nfs/dbraw/zinc/35/25/14/463352514.db2.gz LOMFHRMXPGMHOD-PMACEKPBSA-N 2 1 331.504 2.084 40 0 EEABMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000097238302 463352517 /nfs/dbraw/zinc/35/25/17/463352517.db2.gz LOMFHRMXPGMHOD-PMACEKPBSA-N 2 1 331.504 2.084 40 0 EEABMP COCC[N@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1cccc(C)n1)CC2 ZINC000585102925 468970786 /nfs/dbraw/zinc/97/07/86/468970786.db2.gz IQRCAKJLIYCXSR-GOSISDBHSA-N 2 1 347.503 2.197 40 0 EEABMP COc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+](C)C)O3)C2)cc1 ZINC000096052290 463156215 /nfs/dbraw/zinc/15/62/15/463156215.db2.gz XZPJVHXPMILBAX-RTBURBONSA-N 2 1 334.460 2.007 40 0 EEABMP Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](COCC[NH+](C)C)C2)s1 ZINC000096188965 463200712 /nfs/dbraw/zinc/20/07/12/463200712.db2.gz VUQBLGQPNRFBDO-INIZCTEOSA-N 2 1 348.516 2.463 40 0 EEABMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@]12CCN(CC[NH+](C)C)C2=O ZINC000096201646 463206547 /nfs/dbraw/zinc/20/65/47/463206547.db2.gz RLUQLGUIJUKYLE-DNVCBOLYSA-N 2 1 333.451 2.058 40 0 EEABMP CC(C)[N@H+](C)C[C@H]1CC[C@]2(COCC[NH+](Cc3ccncc3)C2)O1 ZINC000107739597 463580635 /nfs/dbraw/zinc/58/06/35/463580635.db2.gz MERXWBOWQWLKRT-MOPGFXCFSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[N@@H+](C)C[C@H]1CC[C@]2(COCC[NH+](Cc3ccncc3)C2)O1 ZINC000107739597 463580639 /nfs/dbraw/zinc/58/06/39/463580639.db2.gz MERXWBOWQWLKRT-MOPGFXCFSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3ccncc3)C2)O1 ZINC000107739597 463580642 /nfs/dbraw/zinc/58/06/42/463580642.db2.gz MERXWBOWQWLKRT-MOPGFXCFSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccncc3)C2)O1 ZINC000107739597 463580645 /nfs/dbraw/zinc/58/06/45/463580645.db2.gz MERXWBOWQWLKRT-MOPGFXCFSA-N 2 1 333.476 2.172 40 0 EEABMP Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)s1 ZINC000096223869 463218884 /nfs/dbraw/zinc/21/88/84/463218884.db2.gz JQAIUEAYPWMJMH-SFHVURJKSA-N 2 1 335.517 2.433 40 0 EEABMP COCC[N@@H+](C)C[C@@H]1CO[C@@]2(C1)CCC[NH+](Cc1cccc(C)n1)C2 ZINC000096075678 463168506 /nfs/dbraw/zinc/16/85/06/463168506.db2.gz SQBBBTJPPHPKKK-UYAOXDASSA-N 2 1 347.503 2.339 40 0 EEABMP COCC[NH+](C)C[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(C)n1)C2 ZINC000096075678 463168511 /nfs/dbraw/zinc/16/85/11/463168511.db2.gz SQBBBTJPPHPKKK-UYAOXDASSA-N 2 1 347.503 2.339 40 0 EEABMP COCC[NH+](C)C[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(C)n1)C2 ZINC000096075678 463168515 /nfs/dbraw/zinc/16/85/15/463168515.db2.gz SQBBBTJPPHPKKK-UYAOXDASSA-N 2 1 347.503 2.339 40 0 EEABMP Cc1nc(-c2ncc[nH]2)cc([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000257213824 463756924 /nfs/dbraw/zinc/75/69/24/463756924.db2.gz CJFKQGAXWJMYIS-CQSZACIVSA-N 2 1 326.448 2.059 40 0 EEABMP Cc1nc(-c2ncc[nH]2)cc([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000257213824 463756930 /nfs/dbraw/zinc/75/69/30/463756930.db2.gz CJFKQGAXWJMYIS-CQSZACIVSA-N 2 1 326.448 2.059 40 0 EEABMP C[N@H+]1CCC[C@H]1CCNC(=O)c1ncccc1-c1cccc(C[NH3+])c1 ZINC000257318884 463776977 /nfs/dbraw/zinc/77/69/77/463776977.db2.gz VPVACYMOPGYCKG-KRWDZBQOSA-N 2 1 338.455 2.421 40 0 EEABMP CC[NH+]1C[C@@H](C)N(C/C=C/CN2C[C@H](C)[N@@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000253418337 465006408 /nfs/dbraw/zinc/00/64/08/465006408.db2.gz JDRCZTUHLZBKII-UFOHUHDDSA-N 2 1 336.568 2.372 40 0 EEABMP CC[NH+]1C[C@H](C)N(C/C=C/CN2C[C@H](C)[N@H+](CC)C[C@H]2C)C[C@@H]1C ZINC000253418337 465006412 /nfs/dbraw/zinc/00/64/12/465006412.db2.gz JDRCZTUHLZBKII-UFOHUHDDSA-N 2 1 336.568 2.372 40 0 EEABMP CC[NH+]1C[C@H](C)N(C/C=C/CN2C[C@H](C)[N@@H+](CC)C[C@H]2C)C[C@@H]1C ZINC000253418337 465006416 /nfs/dbraw/zinc/00/64/16/465006416.db2.gz JDRCZTUHLZBKII-UFOHUHDDSA-N 2 1 336.568 2.372 40 0 EEABMP C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](C3CC3)C[C@@H]2Cc2ccccc2)C1 ZINC000085472671 462549859 /nfs/dbraw/zinc/54/98/59/462549859.db2.gz NERJZRQOGRXWRW-QUCCMNQESA-N 2 1 341.499 2.246 40 0 EEABMP C[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](C3CC3)C[C@@H]2Cc2ccccc2)C1 ZINC000085472671 462549866 /nfs/dbraw/zinc/54/98/66/462549866.db2.gz NERJZRQOGRXWRW-QUCCMNQESA-N 2 1 341.499 2.246 40 0 EEABMP C[NH+]1CCC[C@@H](C(=O)N2CC[N@@H+](C3CC3)C[C@@H]2Cc2ccccc2)C1 ZINC000085472671 462549873 /nfs/dbraw/zinc/54/98/73/462549873.db2.gz NERJZRQOGRXWRW-QUCCMNQESA-N 2 1 341.499 2.246 40 0 EEABMP C[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](C3CC3)C[C@@H]2Cc2ccccc2)C1 ZINC000085472671 462549877 /nfs/dbraw/zinc/54/98/77/462549877.db2.gz NERJZRQOGRXWRW-QUCCMNQESA-N 2 1 341.499 2.246 40 0 EEABMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccn2)CC3)cn1 ZINC000096157555 463188846 /nfs/dbraw/zinc/18/88/46/463188846.db2.gz REEDBBKEXHGHIE-UHFFFAOYSA-N 2 1 325.460 2.303 40 0 EEABMP CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[NH+]4CCOCC4)OC[C@H]3C2)o1 ZINC000096185263 463195610 /nfs/dbraw/zinc/19/56/10/463195610.db2.gz RVZCVXLILRTBAP-LZQZEXGQSA-N 2 1 334.460 2.011 40 0 EEABMP CCc1ccc(C[N@H+]2CC[C@H]3[C@H](C[NH+]4CCOCC4)OC[C@H]3C2)o1 ZINC000096185263 463195615 /nfs/dbraw/zinc/19/56/15/463195615.db2.gz RVZCVXLILRTBAP-LZQZEXGQSA-N 2 1 334.460 2.011 40 0 EEABMP c1cc(C[N@@H+]2CC[C@@H]3OCCN(CC[NH+]4CCCC4)[C@H]3CC2)co1 ZINC000107254994 463562885 /nfs/dbraw/zinc/56/28/85/463562885.db2.gz OJMSOMSZUNXOIH-OALUTQOASA-N 2 1 333.476 2.041 40 0 EEABMP CC[NH+]1CCC([N@H+]2C[C@@H]3[C@H](N(C)c4cnccn4)CC[C@@H]3C2)CC1 ZINC000257339380 463785363 /nfs/dbraw/zinc/78/53/63/463785363.db2.gz ZBLXAZOBYXPSKD-BPQIPLTHSA-N 2 1 329.492 2.108 40 0 EEABMP CC[NH+]1CCC([N@@H+]2C[C@@H]3[C@H](N(C)c4cnccn4)CC[C@@H]3C2)CC1 ZINC000257339380 463785368 /nfs/dbraw/zinc/78/53/68/463785368.db2.gz ZBLXAZOBYXPSKD-BPQIPLTHSA-N 2 1 329.492 2.108 40 0 EEABMP C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000113971948 462619352 /nfs/dbraw/zinc/61/93/52/462619352.db2.gz WMPKSKPRYGTZOL-MRXNPFEDSA-N 2 1 333.451 2.248 40 0 EEABMP C[N@H+]1CCC[C@@H]1CCNC(=O)c1ncccc1-c1cccc(C[NH3+])c1 ZINC000257318885 463776024 /nfs/dbraw/zinc/77/60/24/463776024.db2.gz VPVACYMOPGYCKG-QGZVFWFLSA-N 2 1 338.455 2.421 40 0 EEABMP CC[NH+]1C[C@H](C)N(C/C=C/CN2C[C@H](C)[N@@H+](CC)C[C@@H]2C)C[C@H]1C ZINC000253418341 465005862 /nfs/dbraw/zinc/00/58/62/465005862.db2.gz JDRCZTUHLZBKII-ZAWDAWMMSA-N 2 1 336.568 2.372 40 0 EEABMP CC[NH+]1C[C@H](C)N(C/C=C/CN2C[C@@H](C)[N@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000253418341 465005866 /nfs/dbraw/zinc/00/58/66/465005866.db2.gz JDRCZTUHLZBKII-ZAWDAWMMSA-N 2 1 336.568 2.372 40 0 EEABMP CC[NH+]1C[C@H](C)N(C/C=C/CN2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000253418341 465005870 /nfs/dbraw/zinc/00/58/70/465005870.db2.gz JDRCZTUHLZBKII-ZAWDAWMMSA-N 2 1 336.568 2.372 40 0 EEABMP c1csc(C[N@@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000107738760 219804398 /nfs/dbraw/zinc/80/43/98/219804398.db2.gz YANOCVUOIJRALB-FUHWJXTLSA-N 2 1 336.501 2.451 40 0 EEABMP CCC[NH2+]CCN(CCC)C(=[NH2+])C(=[NH2+])N(CCC)CC[NH2+]CCC ZINC000005187762 462649135 /nfs/dbraw/zinc/64/91/35/462649135.db2.gz GYCBQGVCVAESEE-UHFFFAOYSA-N 4 1 340.560 2.364 40 0 EEABMP c1coc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC000096055173 463156782 /nfs/dbraw/zinc/15/67/82/463156782.db2.gz UBZWSXOMEGQULT-IEBWSBKVSA-N 2 1 327.428 2.398 40 0 EEABMP c1coc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC000096055173 463156783 /nfs/dbraw/zinc/15/67/83/463156783.db2.gz UBZWSXOMEGQULT-IEBWSBKVSA-N 2 1 327.428 2.398 40 0 EEABMP c1coc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC000096055173 463156784 /nfs/dbraw/zinc/15/67/84/463156784.db2.gz UBZWSXOMEGQULT-IEBWSBKVSA-N 2 1 327.428 2.398 40 0 EEABMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCSC(C)(C)C)CC2)CC1 ZINC000252488699 464965528 /nfs/dbraw/zinc/96/55/28/464965528.db2.gz IXEGVVPVHWGKKJ-UHFFFAOYSA-N 2 1 341.565 2.394 40 0 EEABMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000090467129 462793991 /nfs/dbraw/zinc/79/39/91/462793991.db2.gz VQDKHQMLRYECNV-GUYCJALGSA-N 2 1 333.457 2.409 40 0 EEABMP CCOC(=O)[C@@H](C[NH3+])[C@]1([NH+]2CCOCC2)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216352154 464106583 /nfs/dbraw/zinc/10/65/83/464106583.db2.gz VFOGBNBRGRBLBX-QGWWYQLQSA-N 2 1 338.492 2.042 40 0 EEABMP c1cncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096055167 463156682 /nfs/dbraw/zinc/15/66/82/463156682.db2.gz LBWYIVFYBYPJGZ-WOJBJXKFSA-N 2 1 338.455 2.200 40 0 EEABMP c1cncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096055167 463156685 /nfs/dbraw/zinc/15/66/85/463156685.db2.gz LBWYIVFYBYPJGZ-WOJBJXKFSA-N 2 1 338.455 2.200 40 0 EEABMP c1cncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096055167 463156687 /nfs/dbraw/zinc/15/66/87/463156687.db2.gz LBWYIVFYBYPJGZ-WOJBJXKFSA-N 2 1 338.455 2.200 40 0 EEABMP c1cncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096055167 463156689 /nfs/dbraw/zinc/15/66/89/463156689.db2.gz LBWYIVFYBYPJGZ-WOJBJXKFSA-N 2 1 338.455 2.200 40 0 EEABMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[NH+]4CCN(C)CC4)OC[C@H]3C2)s1 ZINC000096185268 463195911 /nfs/dbraw/zinc/19/59/11/463195911.db2.gz MIFOXHFGCIWSFU-QRQLOZEOSA-N 2 1 349.544 2.141 40 0 EEABMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CN4CC[NH+](C)CC4)OC[C@H]3C2)s1 ZINC000096185268 463195917 /nfs/dbraw/zinc/19/59/17/463195917.db2.gz MIFOXHFGCIWSFU-QRQLOZEOSA-N 2 1 349.544 2.141 40 0 EEABMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CN4CC[NH+](C)CC4)OC[C@H]3C2)s1 ZINC000096185268 463195919 /nfs/dbraw/zinc/19/59/19/463195919.db2.gz MIFOXHFGCIWSFU-QRQLOZEOSA-N 2 1 349.544 2.141 40 0 EEABMP COc1cc(C[NH+]2CCC(O)(Cn3cc[nH+]c3C)CC2)cc(OC)c1 ZINC000019287959 202002889 /nfs/dbraw/zinc/00/28/89/202002889.db2.gz IGCOGTVAAHVTIR-UHFFFAOYSA-N 2 1 345.443 2.236 40 0 EEABMP Cc1cc[nH+]c(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000091456198 203075787 /nfs/dbraw/zinc/07/57/87/203075787.db2.gz ATSNUBZIAPIVKD-UHFFFAOYSA-N 2 1 332.492 2.310 40 0 EEABMP N=C(N=O)C1=CC[NH+](CCCC[N@H+]2C=CC(C(=N)N=O)=CC2)C=C1 ZINC000136643696 463250464 /nfs/dbraw/zinc/25/04/64/463250464.db2.gz KPNRQUUIJWHQBI-UHFFFAOYSA-N 2 1 328.376 2.326 40 0 EEABMP CC1CC[NH+](CC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000096492482 463287850 /nfs/dbraw/zinc/28/78/50/463287850.db2.gz GUSAWCFEBPBWOO-UHFFFAOYSA-N 2 1 345.487 2.314 40 0 EEABMP COC(=O)c1ccccc1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000195558005 241008037 /nfs/dbraw/zinc/00/80/37/241008037.db2.gz RUJVCVFHSMLTAI-DOTOQJQBSA-N 2 1 332.444 2.268 40 0 EEABMP COC(=O)c1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000195558005 241008041 /nfs/dbraw/zinc/00/80/41/241008041.db2.gz RUJVCVFHSMLTAI-DOTOQJQBSA-N 2 1 332.444 2.268 40 0 EEABMP COC(=O)c1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000195558005 241008045 /nfs/dbraw/zinc/00/80/45/241008045.db2.gz RUJVCVFHSMLTAI-DOTOQJQBSA-N 2 1 332.444 2.268 40 0 EEABMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000241926475 243005834 /nfs/dbraw/zinc/00/58/34/243005834.db2.gz UGMMGEDRZMULCY-RTBURBONSA-N 2 1 339.524 2.022 40 0 EEABMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000241926475 243005839 /nfs/dbraw/zinc/00/58/39/243005839.db2.gz UGMMGEDRZMULCY-RTBURBONSA-N 2 1 339.524 2.022 40 0 EEABMP CN(C)C(=O)[C@@]12CCC3(CC[NH+](Cc4ccco4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096036280 463142792 /nfs/dbraw/zinc/14/27/92/463142792.db2.gz QTAXKVOKINKLLE-FXAWDEMLSA-N 2 1 345.487 2.292 40 0 EEABMP CC(C)[N@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1ccccn1)C2 ZINC000096051991 463154359 /nfs/dbraw/zinc/15/43/59/463154359.db2.gz ZDEYKZYGZUELCP-HKUYNNGSSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[N@@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1ccccn1)C2 ZINC000096051991 463154366 /nfs/dbraw/zinc/15/43/66/463154366.db2.gz ZDEYKZYGZUELCP-HKUYNNGSSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096051991 463154372 /nfs/dbraw/zinc/15/43/72/463154372.db2.gz ZDEYKZYGZUELCP-HKUYNNGSSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096051991 463154377 /nfs/dbraw/zinc/15/43/77/463154377.db2.gz ZDEYKZYGZUELCP-HKUYNNGSSA-N 2 1 333.476 2.029 40 0 EEABMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC000096249682 463227526 /nfs/dbraw/zinc/22/75/26/463227526.db2.gz ZTSBXLBTRZKWNC-UYAOXDASSA-N 2 1 338.455 2.200 40 0 EEABMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC000096249682 463227535 /nfs/dbraw/zinc/22/75/35/463227535.db2.gz ZTSBXLBTRZKWNC-UYAOXDASSA-N 2 1 338.455 2.200 40 0 EEABMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC000096249682 463227542 /nfs/dbraw/zinc/22/75/42/463227542.db2.gz ZTSBXLBTRZKWNC-UYAOXDASSA-N 2 1 338.455 2.200 40 0 EEABMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC000096249682 463227547 /nfs/dbraw/zinc/22/75/47/463227547.db2.gz ZTSBXLBTRZKWNC-UYAOXDASSA-N 2 1 338.455 2.200 40 0 EEABMP C[NH+]1CCN(Cc2cccc(-c3c[nH]nc3[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000257332912 463780909 /nfs/dbraw/zinc/78/09/09/463780909.db2.gz XZIANFBHDDFNQQ-GOSISDBHSA-N 2 1 339.487 2.291 40 0 EEABMP CN(CC1CC[NH+](C)CC1)C(=O)c1cc([C@H]2CCC[N@H+]2C)ccn1 ZINC000257342007 463785871 /nfs/dbraw/zinc/78/58/71/463785871.db2.gz ZMRVVCYMAHVZQI-GOSISDBHSA-N 2 1 330.476 2.262 40 0 EEABMP CC[N@@H+]1CCC[C@](O)(C[NH+]2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000046087870 462646045 /nfs/dbraw/zinc/64/60/45/462646045.db2.gz XLCBOXGEIJWDNX-HXUWFJFHSA-N 2 1 340.471 2.499 40 0 EEABMP CC[N@H+]1CCC[C@](O)(C[NH+]2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000046087870 462646051 /nfs/dbraw/zinc/64/60/51/462646051.db2.gz XLCBOXGEIJWDNX-HXUWFJFHSA-N 2 1 340.471 2.499 40 0 EEABMP CC[NH+]1CCC[C@](O)(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000046087870 462646060 /nfs/dbraw/zinc/64/60/60/462646060.db2.gz XLCBOXGEIJWDNX-HXUWFJFHSA-N 2 1 340.471 2.499 40 0 EEABMP CC[NH+]1CCC[C@](O)(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000046087870 462646066 /nfs/dbraw/zinc/64/60/66/462646066.db2.gz XLCBOXGEIJWDNX-HXUWFJFHSA-N 2 1 340.471 2.499 40 0 EEABMP Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](CN4CC[NH+](C)CC4)[C@H]3C2)s1 ZINC000096056259 463157772 /nfs/dbraw/zinc/15/77/72/463157772.db2.gz MUQUJUFEQZTKHO-YTQUADARSA-N 2 1 349.544 2.141 40 0 EEABMP Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCN(C)CC4)[C@H]3C2)s1 ZINC000096056259 463157777 /nfs/dbraw/zinc/15/77/77/463157777.db2.gz MUQUJUFEQZTKHO-YTQUADARSA-N 2 1 349.544 2.141 40 0 EEABMP Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCN(C)CC4)[C@H]3C2)s1 ZINC000096056259 463157781 /nfs/dbraw/zinc/15/77/81/463157781.db2.gz MUQUJUFEQZTKHO-YTQUADARSA-N 2 1 349.544 2.141 40 0 EEABMP COC[C@@H]1CC2(C[N@H+]1C)CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096206924 463210956 /nfs/dbraw/zinc/21/09/56/463210956.db2.gz DJSKBDDYJJIKFB-INIZCTEOSA-N 2 1 332.444 2.348 40 0 EEABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)o1 ZINC000248121149 464730959 /nfs/dbraw/zinc/73/09/59/464730959.db2.gz VFMPYBXEYILCLD-RBUKOAKNSA-N 2 1 334.460 2.434 40 0 EEABMP Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)o1 ZINC000248121149 464730967 /nfs/dbraw/zinc/73/09/67/464730967.db2.gz VFMPYBXEYILCLD-RBUKOAKNSA-N 2 1 334.460 2.434 40 0 EEABMP Cc1nc2c(c(N(C)CC[NH+](C)C)n1)CC[N@H+](Cc1ccccc1)C2 ZINC000019286142 202003403 /nfs/dbraw/zinc/00/34/03/202003403.db2.gz WBELABQJPQKIRQ-UHFFFAOYSA-N 2 1 339.487 2.341 40 0 EEABMP Cc1nc2c(c(N(C)CC[NH+](C)C)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000019286142 202003406 /nfs/dbraw/zinc/00/34/06/202003406.db2.gz WBELABQJPQKIRQ-UHFFFAOYSA-N 2 1 339.487 2.341 40 0 EEABMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@@H]1CCOC1)CC2 ZINC000096051799 463154763 /nfs/dbraw/zinc/15/47/63/463154763.db2.gz ZHGHOJCZMQELQS-RTBURBONSA-N 2 1 345.487 2.173 40 0 EEABMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)ccn1 ZINC000096055183 463156406 /nfs/dbraw/zinc/15/64/06/463156406.db2.gz OJZDDAHTYQXQFH-WOJBJXKFSA-N 2 1 338.455 2.200 40 0 EEABMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)ccn1 ZINC000096055183 463156408 /nfs/dbraw/zinc/15/64/08/463156408.db2.gz OJZDDAHTYQXQFH-WOJBJXKFSA-N 2 1 338.455 2.200 40 0 EEABMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)ccn1 ZINC000096055183 463156412 /nfs/dbraw/zinc/15/64/12/463156412.db2.gz OJZDDAHTYQXQFH-WOJBJXKFSA-N 2 1 338.455 2.200 40 0 EEABMP COc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCC[NH+](C)C)CC[C@@H]32)cc1 ZINC000096055215 463157735 /nfs/dbraw/zinc/15/77/35/463157735.db2.gz QQGYWMKDZYYSIZ-YZGWKJHDSA-N 2 1 348.487 2.253 40 0 EEABMP COc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCC[NH+](C)C)CC[C@@H]32)cc1 ZINC000096055215 463157742 /nfs/dbraw/zinc/15/77/42/463157742.db2.gz QQGYWMKDZYYSIZ-YZGWKJHDSA-N 2 1 348.487 2.253 40 0 EEABMP CC(C)c1ccc(C[NH+]2CCN(C(=O)C3CC[NH2+]CC3)CC2)cc1 ZINC000225521143 464167456 /nfs/dbraw/zinc/16/74/56/464167456.db2.gz HLGIOPPIXQRYOR-UHFFFAOYSA-N 2 1 329.488 2.454 40 0 EEABMP Cc1cccc(C[N@H+]2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)c1 ZINC000019234938 524407419 /nfs/dbraw/zinc/40/74/19/524407419.db2.gz KAMMIDJUPWGDSL-INIZCTEOSA-N 2 1 336.443 2.083 40 0 EEABMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000241926474 243005977 /nfs/dbraw/zinc/00/59/77/243005977.db2.gz UGMMGEDRZMULCY-RBUKOAKNSA-N 2 1 339.524 2.022 40 0 EEABMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000241926474 243005983 /nfs/dbraw/zinc/00/59/83/243005983.db2.gz UGMMGEDRZMULCY-RBUKOAKNSA-N 2 1 339.524 2.022 40 0 EEABMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[NH+]4CCN(C)CC4)OC[C@H]3C2)cc1 ZINC000096185269 463196299 /nfs/dbraw/zinc/19/62/99/463196299.db2.gz HCUJCUYEAPRJCU-NJYVYQBISA-N 2 1 343.515 2.079 40 0 EEABMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CN4CC[NH+](C)CC4)OC[C@H]3C2)cc1 ZINC000096185269 463196301 /nfs/dbraw/zinc/19/63/01/463196301.db2.gz HCUJCUYEAPRJCU-NJYVYQBISA-N 2 1 343.515 2.079 40 0 EEABMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CN4CC[NH+](C)CC4)OC[C@H]3C2)cc1 ZINC000096185269 463196303 /nfs/dbraw/zinc/19/63/03/463196303.db2.gz HCUJCUYEAPRJCU-NJYVYQBISA-N 2 1 343.515 2.079 40 0 EEABMP C[NH+]1CCC([NH2+]C[C@H]2Cn3c(-c4ccccc4)cnc3CO2)CC1 ZINC000096296455 463233667 /nfs/dbraw/zinc/23/36/67/463233667.db2.gz LJWBWHZIBJUJPT-KRWDZBQOSA-N 2 1 326.444 2.133 40 0 biogenic,in-vitro EEABMP C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000097101610 463323956 /nfs/dbraw/zinc/32/39/56/463323956.db2.gz NKXHMPSNPVVMJO-RTBURBONSA-N 2 1 344.503 2.244 40 0 EEABMP C[N@H+](Cc1ccccn1)[C@@H]1CO[C@@]2(CC[NH+](Cc3ccncc3)C2)C1 ZINC000248122878 464732821 /nfs/dbraw/zinc/73/28/21/464732821.db2.gz NPCSWIDYDJIEDJ-PMACEKPBSA-N 2 1 338.455 2.342 40 0 EEABMP C[N@@H+](Cc1ccccn1)[C@@H]1CO[C@@]2(CC[NH+](Cc3ccncc3)C2)C1 ZINC000248122878 464732823 /nfs/dbraw/zinc/73/28/23/464732823.db2.gz NPCSWIDYDJIEDJ-PMACEKPBSA-N 2 1 338.455 2.342 40 0 EEABMP C[NH+](Cc1ccccn1)[C@@H]1CO[C@@]2(CC[N@H+](Cc3ccncc3)C2)C1 ZINC000248122878 464732825 /nfs/dbraw/zinc/73/28/25/464732825.db2.gz NPCSWIDYDJIEDJ-PMACEKPBSA-N 2 1 338.455 2.342 40 0 EEABMP C[NH+](Cc1ccccn1)[C@@H]1CO[C@@]2(CC[N@@H+](Cc3ccncc3)C2)C1 ZINC000248122878 464732826 /nfs/dbraw/zinc/73/28/26/464732826.db2.gz NPCSWIDYDJIEDJ-PMACEKPBSA-N 2 1 338.455 2.342 40 0 EEABMP c1ccc(N2CC[NH+](C3CCN(C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000252503092 464972208 /nfs/dbraw/zinc/97/22/08/464972208.db2.gz UYFMRHRPVQDOOA-HXUWFJFHSA-N 2 1 329.488 2.452 40 0 EEABMP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079391085 217217031 /nfs/dbraw/zinc/21/70/31/217217031.db2.gz CUMCIWAJMLVAPO-HKUYNNGSSA-N 2 1 329.488 2.483 40 0 EEABMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCc2cccc(N)c2)c1 ZINC000001701931 462585097 /nfs/dbraw/zinc/58/50/97/462585097.db2.gz JNYZYDBUKUVZSZ-UHFFFAOYSA-N 2 1 338.415 2.033 40 0 in-vitro EEABMP Cc1cccc(C[NH+]2CCOC[C@]3(C[C@H](C[N@@H+](C)C(C)C)CO3)C2)n1 ZINC000096078532 463168776 /nfs/dbraw/zinc/16/87/76/463168776.db2.gz LEKUUXOIBNPIGD-QUCCMNQESA-N 2 1 347.503 2.338 40 0 EEABMP Cc1cccc(C[NH+]2CCOC[C@]3(C[C@H](C[N@H+](C)C(C)C)CO3)C2)n1 ZINC000096078532 463168783 /nfs/dbraw/zinc/16/87/83/463168783.db2.gz LEKUUXOIBNPIGD-QUCCMNQESA-N 2 1 347.503 2.338 40 0 EEABMP Cc1cccc(C[N@H+]2CCOC[C@]3(C[C@H](C[NH+](C)C(C)C)CO3)C2)n1 ZINC000096078532 463168786 /nfs/dbraw/zinc/16/87/86/463168786.db2.gz LEKUUXOIBNPIGD-QUCCMNQESA-N 2 1 347.503 2.338 40 0 EEABMP Cc1cccc(C[N@@H+]2CCOC[C@]3(C[C@H](C[NH+](C)C(C)C)CO3)C2)n1 ZINC000096078532 463168789 /nfs/dbraw/zinc/16/87/89/463168789.db2.gz LEKUUXOIBNPIGD-QUCCMNQESA-N 2 1 347.503 2.338 40 0 EEABMP O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2cccs2)N1CC[NH+]1CCCC1 ZINC000096186292 463197552 /nfs/dbraw/zinc/19/75/52/463197552.db2.gz QZEJDGAKYBAYAM-IRXDYDNUSA-N 2 1 333.501 2.409 40 0 EEABMP C[N@H+](CCc1ccc(F)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092162060 218123509 /nfs/dbraw/zinc/12/35/09/218123509.db2.gz KJTDEMAIOHXHID-UHFFFAOYSA-N 2 1 343.450 2.042 40 0 EEABMP C[N@@H+](CCc1ccc(F)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092162060 218123511 /nfs/dbraw/zinc/12/35/11/218123511.db2.gz KJTDEMAIOHXHID-UHFFFAOYSA-N 2 1 343.450 2.042 40 0 EEABMP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2nccs2)CC3)cn1 ZINC000096046614 463149867 /nfs/dbraw/zinc/14/98/67/463149867.db2.gz OJZYOHOKBRAJGJ-UHFFFAOYSA-N 2 1 331.489 2.365 40 0 EEABMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2nccs2)CC3)cn1 ZINC000096046614 463149873 /nfs/dbraw/zinc/14/98/73/463149873.db2.gz OJZYOHOKBRAJGJ-UHFFFAOYSA-N 2 1 331.489 2.365 40 0 EEABMP C[NH+]1CCC([NH2+]C[C@H]2Cn3cc(-c4ccccc4)nc3CO2)CC1 ZINC000096269377 463233235 /nfs/dbraw/zinc/23/32/35/463233235.db2.gz UMZZLFLKGFUTEM-KRWDZBQOSA-N 2 1 326.444 2.133 40 0 biogenic,in-vitro EEABMP COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000096489889 463286712 /nfs/dbraw/zinc/28/67/12/463286712.db2.gz DAZOITAIQVWYEG-KRWDZBQOSA-N 2 1 345.487 2.212 40 0 EEABMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000096196656 463201953 /nfs/dbraw/zinc/20/19/53/463201953.db2.gz JULKDWMKWZSOFE-UHFFFAOYSA-N 2 1 343.446 2.150 40 0 EEABMP Cc1cccc(NC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000253430224 465013426 /nfs/dbraw/zinc/01/34/26/465013426.db2.gz DXFGTSBDPGFYMO-UHFFFAOYSA-N 2 1 344.503 2.035 40 0 EEABMP CN1CC[NH+](C[C@@H]2CCC[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]32)CC1 ZINC000096081896 463170695 /nfs/dbraw/zinc/17/06/95/463170695.db2.gz HKYYBFYHSNCPRD-GVDBMIGSSA-N 2 1 334.533 2.239 40 0 EEABMP CC[N@H+]1C[C@H](COC)[C@]2(CC[NH+](CCOCc3ccccc3)C2)C1 ZINC000096216563 463214650 /nfs/dbraw/zinc/21/46/50/463214650.db2.gz IRCQMVYGRBTSQN-WOJBJXKFSA-N 2 1 332.488 2.493 40 0 EEABMP CC[NH+]1C[C@H](COC)[C@]2(CC[N@H+](CCOCc3ccccc3)C2)C1 ZINC000096216563 463214659 /nfs/dbraw/zinc/21/46/59/463214659.db2.gz IRCQMVYGRBTSQN-WOJBJXKFSA-N 2 1 332.488 2.493 40 0 EEABMP CC[NH+]1C[C@H](COC)[C@]2(CC[N@@H+](CCOCc3ccccc3)C2)C1 ZINC000096216563 463214667 /nfs/dbraw/zinc/21/46/67/463214667.db2.gz IRCQMVYGRBTSQN-WOJBJXKFSA-N 2 1 332.488 2.493 40 0 EEABMP Cc1cccc(NC2CCN(C(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)[nH+]1 ZINC000096486761 463285350 /nfs/dbraw/zinc/28/53/50/463285350.db2.gz QSJUITCURJONCR-INIZCTEOSA-N 2 1 348.516 2.230 40 0 EEABMP Cc1cccc(NC2CCN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC2)[nH+]1 ZINC000096486761 463285352 /nfs/dbraw/zinc/28/53/52/463285352.db2.gz QSJUITCURJONCR-INIZCTEOSA-N 2 1 348.516 2.230 40 0 EEABMP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cn3c(n2)CCCC3)CC1 ZINC000225723960 535200237 /nfs/dbraw/zinc/20/02/37/535200237.db2.gz NRJWSSUDAAKGMR-UHFFFAOYSA-N 2 1 333.524 2.067 40 0 EEABMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2cn3c(n2)CCCC3)CC1 ZINC000225723960 535200240 /nfs/dbraw/zinc/20/02/40/535200240.db2.gz NRJWSSUDAAKGMR-UHFFFAOYSA-N 2 1 333.524 2.067 40 0 EEABMP CC(C)[NH+]1CCC(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000097238303 463352375 /nfs/dbraw/zinc/35/23/75/463352375.db2.gz LOMFHRMXPGMHOD-UXHICEINSA-N 2 1 331.504 2.084 40 0 EEABMP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000097238303 463352379 /nfs/dbraw/zinc/35/23/79/463352379.db2.gz LOMFHRMXPGMHOD-UXHICEINSA-N 2 1 331.504 2.084 40 0 EEABMP CN(CC1CC[NH+](C)CC1)C(=O)c1cc([C@@H]2CCC[N@H+]2C)ccn1 ZINC000257342008 463785785 /nfs/dbraw/zinc/78/57/85/463785785.db2.gz ZMRVVCYMAHVZQI-SFHVURJKSA-N 2 1 330.476 2.262 40 0 EEABMP Cc1ccsc1C[NH+]1CCN(C2=NO[C@@H]3C[N@@H+](C(C)C)C[C@H]23)CC1 ZINC000306129346 466490152 /nfs/dbraw/zinc/49/01/52/466490152.db2.gz IBASQDVAOJDOPD-JKSUJKDBSA-N 2 1 348.516 2.227 40 0 EEABMP Cc1ccsc1C[NH+]1CCN(C2=NO[C@@H]3C[N@H+](C(C)C)C[C@H]23)CC1 ZINC000306129346 466490158 /nfs/dbraw/zinc/49/01/58/466490158.db2.gz IBASQDVAOJDOPD-JKSUJKDBSA-N 2 1 348.516 2.227 40 0 EEABMP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000097101607 463324071 /nfs/dbraw/zinc/32/40/71/463324071.db2.gz NKXHMPSNPVVMJO-RBUKOAKNSA-N 2 1 344.503 2.244 40 0 EEABMP C[NH+]1CCN(Cc2cccc(-c3c[nH]nc3[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000257332913 463781556 /nfs/dbraw/zinc/78/15/56/463781556.db2.gz XZIANFBHDDFNQQ-SFHVURJKSA-N 2 1 339.487 2.291 40 0 EEABMP COc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)Cc2nnc(C)n23)cc1 ZINC000306135808 466490841 /nfs/dbraw/zinc/49/08/41/466490841.db2.gz PBMMYPHCWHYTOM-UHFFFAOYSA-N 2 1 341.459 2.032 40 0 EEABMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C)Cc2nnc(C)n23)cc1 ZINC000306135808 466490845 /nfs/dbraw/zinc/49/08/45/466490845.db2.gz PBMMYPHCWHYTOM-UHFFFAOYSA-N 2 1 341.459 2.032 40 0 EEABMP C[NH+]1CCN([C@H]2COC3(C2)CC[NH+](Cc2cccs2)CC3)CC1 ZINC000096048838 463153089 /nfs/dbraw/zinc/15/30/89/463153089.db2.gz ONPNBMVRPWPYMW-MRXNPFEDSA-N 2 1 335.517 2.119 40 0 EEABMP CC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163994475 529441782 /nfs/dbraw/zinc/44/17/82/529441782.db2.gz XOBUDYHQDJUNIW-HNNXBMFYSA-N 2 1 343.393 2.477 40 0 EEABMP CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163994475 529441784 /nfs/dbraw/zinc/44/17/84/529441784.db2.gz XOBUDYHQDJUNIW-HNNXBMFYSA-N 2 1 343.393 2.477 40 0 EEABMP Cc1ccc(C)c([C@@H](O)C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000072637020 216284945 /nfs/dbraw/zinc/28/49/45/216284945.db2.gz WDJGIFIVEKNYAT-ICSRJNTNSA-N 2 1 331.504 2.049 40 0 EEABMP Cc1ccc(C)c([C@@H](O)C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000072637020 216284952 /nfs/dbraw/zinc/28/49/52/216284952.db2.gz WDJGIFIVEKNYAT-ICSRJNTNSA-N 2 1 331.504 2.049 40 0 EEABMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1sccc1Br ZINC000097378275 463356113 /nfs/dbraw/zinc/35/61/13/463356113.db2.gz KYCNDDQOYNAGGB-LLVKDONJSA-N 2 1 332.311 2.236 40 0 EEABMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@H]1CCOC1)CC2 ZINC000096051801 463154655 /nfs/dbraw/zinc/15/46/55/463154655.db2.gz ZHGHOJCZMQELQS-RBUKOAKNSA-N 2 1 345.487 2.173 40 0 EEABMP COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCN(C)CC3)n2)cn1 ZINC000035425854 463431071 /nfs/dbraw/zinc/43/10/71/463431071.db2.gz BMRDXAQTWGPSRQ-HNNXBMFYSA-N 2 1 343.431 2.371 40 0 biogenic,in-vitro EEABMP c1cc(C[N@H+]2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)cs1 ZINC000107738771 463580616 /nfs/dbraw/zinc/58/06/16/463580616.db2.gz QQZAVYHQRVWIMO-ROUUACIJSA-N 2 1 336.501 2.451 40 0 EEABMP c1cc(C[N@@H+]2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)cs1 ZINC000107738771 463580618 /nfs/dbraw/zinc/58/06/18/463580618.db2.gz QQZAVYHQRVWIMO-ROUUACIJSA-N 2 1 336.501 2.451 40 0 EEABMP COCC[N@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000585104318 468972306 /nfs/dbraw/zinc/97/23/06/468972306.db2.gz YQCTWWCTYRENDE-LJQANCHMSA-N 2 1 332.488 2.493 40 0 EEABMP O[C@H]1C[N@H+](C2CCCCC2)C[C@H]1[C@@]1(O)CC[NH+](C2CCCCC2)C1 ZINC000004783192 285367530 /nfs/dbraw/zinc/36/75/30/285367530.db2.gz OHHVXRZTKRYDRS-HSALFYBXSA-N 2 1 336.520 2.381 40 0 EEABMP O[C@H]1C[NH+](C2CCCCC2)C[C@H]1[C@@]1(O)CC[N@@H+](C2CCCCC2)C1 ZINC000004783192 285367532 /nfs/dbraw/zinc/36/75/32/285367532.db2.gz OHHVXRZTKRYDRS-HSALFYBXSA-N 2 1 336.520 2.381 40 0 EEABMP O[C@H]1C[NH+](C2CCCCC2)C[C@H]1[C@@]1(O)CC[N@H+](C2CCCCC2)C1 ZINC000004783192 285367533 /nfs/dbraw/zinc/36/75/33/285367533.db2.gz OHHVXRZTKRYDRS-HSALFYBXSA-N 2 1 336.520 2.381 40 0 EEABMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000028220975 277095051 /nfs/dbraw/zinc/09/50/51/277095051.db2.gz JIGARXCIJZWIME-INIZCTEOSA-N 2 1 335.879 2.326 40 0 EEABMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000028220975 277095053 /nfs/dbraw/zinc/09/50/53/277095053.db2.gz JIGARXCIJZWIME-INIZCTEOSA-N 2 1 335.879 2.326 40 0 EEABMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000090467127 462793408 /nfs/dbraw/zinc/79/34/08/462793408.db2.gz VQDKHQMLRYECNV-DYVFJYSZSA-N 2 1 333.457 2.409 40 0 EEABMP CC(C)[N@H+](C)C[C@@H]1CC[C@@]2(COCC[NH+](Cc3ccncc3)C2)O1 ZINC000096052321 463156857 /nfs/dbraw/zinc/15/68/57/463156857.db2.gz MERXWBOWQWLKRT-RBUKOAKNSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[N@@H+](C)C[C@@H]1CC[C@@]2(COCC[NH+](Cc3ccncc3)C2)O1 ZINC000096052321 463156862 /nfs/dbraw/zinc/15/68/62/463156862.db2.gz MERXWBOWQWLKRT-RBUKOAKNSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@H+](Cc3ccncc3)C2)O1 ZINC000096052321 463156867 /nfs/dbraw/zinc/15/68/67/463156867.db2.gz MERXWBOWQWLKRT-RBUKOAKNSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3ccncc3)C2)O1 ZINC000096052321 463156875 /nfs/dbraw/zinc/15/68/75/463156875.db2.gz MERXWBOWQWLKRT-RBUKOAKNSA-N 2 1 333.476 2.172 40 0 EEABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)o1 ZINC000107738781 463581082 /nfs/dbraw/zinc/58/10/82/463581082.db2.gz QXSQGNSVZIVTGL-PKOBYXMFSA-N 2 1 334.460 2.291 40 0 EEABMP Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)o1 ZINC000107738781 463581085 /nfs/dbraw/zinc/58/10/85/463581085.db2.gz QXSQGNSVZIVTGL-PKOBYXMFSA-N 2 1 334.460 2.291 40 0 EEABMP COCC[N@@H+](C)C[C@@H]1CO[C@]2(C1)CCC[NH+](Cc1cccc(C)n1)C2 ZINC000096075677 463169170 /nfs/dbraw/zinc/16/91/70/463169170.db2.gz SQBBBTJPPHPKKK-QUCCMNQESA-N 2 1 347.503 2.339 40 0 EEABMP COCC[NH+](C)C[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(C)n1)C2 ZINC000096075677 463169176 /nfs/dbraw/zinc/16/91/76/463169176.db2.gz SQBBBTJPPHPKKK-QUCCMNQESA-N 2 1 347.503 2.339 40 0 EEABMP COCC[NH+](C)C[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccc(C)n1)C2 ZINC000096075677 463169179 /nfs/dbraw/zinc/16/91/79/463169179.db2.gz SQBBBTJPPHPKKK-QUCCMNQESA-N 2 1 347.503 2.339 40 0 EEABMP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000253370352 464994129 /nfs/dbraw/zinc/99/41/29/464994129.db2.gz PSQPNUJGBWLTSM-PMACEKPBSA-N 3 1 343.515 2.360 40 0 EEABMP OC1CC[NH+](Cc2ccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000253370352 464994137 /nfs/dbraw/zinc/99/41/37/464994137.db2.gz PSQPNUJGBWLTSM-PMACEKPBSA-N 2 1 343.515 2.360 40 0 EEABMP OC1CC[NH+](Cc2ccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000253370352 464994144 /nfs/dbraw/zinc/99/41/44/464994144.db2.gz PSQPNUJGBWLTSM-PMACEKPBSA-N 2 1 343.515 2.360 40 0 EEABMP CN1CCC[N@@H+](CCc2ccccc2)CCN(C)CCC[NH+](C)CC1 ZINC000068605156 215323616 /nfs/dbraw/zinc/32/36/16/215323616.db2.gz WICRZHSKULXTFM-UHFFFAOYSA-N 2 1 346.563 2.120 40 0 EEABMP CN1CCC[N@H+](C)CCN(C)CCC[NH+](CCc2ccccc2)CC1 ZINC000068605156 215323619 /nfs/dbraw/zinc/32/36/19/215323619.db2.gz WICRZHSKULXTFM-UHFFFAOYSA-N 2 1 346.563 2.120 40 0 EEABMP CN1CCC[N@@H+](C)CCN(C)CCC[NH+](CCc2ccccc2)CC1 ZINC000068605156 215323623 /nfs/dbraw/zinc/32/36/23/215323623.db2.gz WICRZHSKULXTFM-UHFFFAOYSA-N 2 1 346.563 2.120 40 0 EEABMP CN1CCC[N@H+](C)CCN(CCc2ccccc2)CCC[NH+](C)CC1 ZINC000068605156 215323627 /nfs/dbraw/zinc/32/36/27/215323627.db2.gz WICRZHSKULXTFM-UHFFFAOYSA-N 2 1 346.563 2.120 40 0 EEABMP CN1CCC[N@@H+](C)CCN(CCc2ccccc2)CCC[NH+](C)CC1 ZINC000068605156 215323630 /nfs/dbraw/zinc/32/36/30/215323630.db2.gz WICRZHSKULXTFM-UHFFFAOYSA-N 2 1 346.563 2.120 40 0 EEABMP CN1CCC[NH+](C)CCN(CCc2ccccc2)CCC[N@H+](C)CC1 ZINC000068605156 215323632 /nfs/dbraw/zinc/32/36/32/215323632.db2.gz WICRZHSKULXTFM-UHFFFAOYSA-N 2 1 346.563 2.120 40 0 EEABMP CN1CCC[NH+](C)CCN(CCc2ccccc2)CCC[N@@H+](C)CC1 ZINC000068605156 215323636 /nfs/dbraw/zinc/32/36/36/215323636.db2.gz WICRZHSKULXTFM-UHFFFAOYSA-N 2 1 346.563 2.120 40 0 EEABMP c1cnc(N2CC[NH+]([C@H]3CCC[C@@H]4C[N@@H+](CC5CC5)C[C@@H]43)CC2)nc1 ZINC000096183139 463194900 /nfs/dbraw/zinc/19/49/00/463194900.db2.gz QYKBHUSGSYXIEG-QYZOEREBSA-N 2 1 341.503 2.109 40 0 EEABMP c1cnc(N2CC[NH+]([C@H]3CCC[C@@H]4C[N@H+](CC5CC5)C[C@@H]43)CC2)nc1 ZINC000096183139 463194903 /nfs/dbraw/zinc/19/49/03/463194903.db2.gz QYKBHUSGSYXIEG-QYZOEREBSA-N 2 1 341.503 2.109 40 0 EEABMP C[N@@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](C1CCOCC1)CC2 ZINC000096220911 463217574 /nfs/dbraw/zinc/21/75/74/463217574.db2.gz OYCVAVGIFQBDGV-IBGZPJMESA-N 2 1 345.487 2.316 40 0 EEABMP c1cncc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC000096055182 463156238 /nfs/dbraw/zinc/15/62/38/463156238.db2.gz QUARXOULZNTSAN-WOJBJXKFSA-N 2 1 338.455 2.200 40 0 EEABMP c1cncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC000096055182 463156242 /nfs/dbraw/zinc/15/62/42/463156242.db2.gz QUARXOULZNTSAN-WOJBJXKFSA-N 2 1 338.455 2.200 40 0 EEABMP c1cncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC000096055182 463156245 /nfs/dbraw/zinc/15/62/45/463156245.db2.gz QUARXOULZNTSAN-WOJBJXKFSA-N 2 1 338.455 2.200 40 0 EEABMP c1cncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC000096055182 463156248 /nfs/dbraw/zinc/15/62/48/463156248.db2.gz QUARXOULZNTSAN-WOJBJXKFSA-N 2 1 338.455 2.200 40 0 EEABMP Cc1cnc(C[N@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cn1 ZINC000585171888 468994537 /nfs/dbraw/zinc/99/45/37/468994537.db2.gz PTXQUYPTGJTKMU-HNNXBMFYSA-N 2 1 335.415 2.140 40 0 EEABMP Cc1cnc(CN2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cn1 ZINC000585171888 468994544 /nfs/dbraw/zinc/99/45/44/468994544.db2.gz PTXQUYPTGJTKMU-HNNXBMFYSA-N 2 1 335.415 2.140 40 0 EEABMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cn1 ZINC000096071136 463165478 /nfs/dbraw/zinc/16/54/78/463165478.db2.gz TXGPSGKMVAVGNS-UHFFFAOYSA-N 2 1 325.460 2.303 40 0 EEABMP Cn1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cn1 ZINC000096048004 463151611 /nfs/dbraw/zinc/15/16/11/463151611.db2.gz PFCMQPDUKVQWFP-KRWDZBQOSA-N 2 1 344.459 2.269 40 0 EEABMP O=c1ccc2c(n1CC[NH+]1CCCC1)CC[N@@H+](Cc1ccoc1)CC2 ZINC000096196707 463201828 /nfs/dbraw/zinc/20/18/28/463201828.db2.gz HEXJSXVNDQFYGV-UHFFFAOYSA-N 2 1 341.455 2.138 40 0 EEABMP COC(=O)c1ccccc1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000096501248 463291391 /nfs/dbraw/zinc/29/13/91/463291391.db2.gz RUJVCVFHSMLTAI-WBVHZDCISA-N 2 1 332.444 2.268 40 0 EEABMP COC(=O)c1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000096501248 463291398 /nfs/dbraw/zinc/29/13/98/463291398.db2.gz RUJVCVFHSMLTAI-WBVHZDCISA-N 2 1 332.444 2.268 40 0 EEABMP COC(=O)c1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000096501248 463291407 /nfs/dbraw/zinc/29/14/07/463291407.db2.gz RUJVCVFHSMLTAI-WBVHZDCISA-N 2 1 332.444 2.268 40 0 EEABMP NC(=O)c1c[nH+]ccc1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000096503050 463293290 /nfs/dbraw/zinc/29/32/90/463293290.db2.gz PXAURHGDKZDUSM-UHFFFAOYSA-N 2 1 338.455 2.325 40 0 EEABMP NC(=O)c1c[nH+]ccc1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000096503050 463293292 /nfs/dbraw/zinc/29/32/92/463293292.db2.gz PXAURHGDKZDUSM-UHFFFAOYSA-N 2 1 338.455 2.325 40 0 EEABMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000195560648 464077394 /nfs/dbraw/zinc/07/73/94/464077394.db2.gz UFCDWAOWOVJUHS-AZUAARDMSA-N 2 1 331.504 2.300 40 0 EEABMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000195560648 464077399 /nfs/dbraw/zinc/07/73/99/464077399.db2.gz UFCDWAOWOVJUHS-AZUAARDMSA-N 2 1 331.504 2.300 40 0 EEABMP Cc1nnc2n1C1(CC[NH+](Cc3ccccc3F)CC1)C[N@H+](C)C2 ZINC000306139929 466494548 /nfs/dbraw/zinc/49/45/48/466494548.db2.gz UEGLNDCXBMJLLL-UHFFFAOYSA-N 2 1 329.423 2.162 40 0 EEABMP Cc1nnc2n1C1(CC[NH+](Cc3ccccc3F)CC1)C[N@@H+](C)C2 ZINC000306139929 466494556 /nfs/dbraw/zinc/49/45/56/466494556.db2.gz UEGLNDCXBMJLLL-UHFFFAOYSA-N 2 1 329.423 2.162 40 0 EEABMP c1ncn2c1C[N@H+](CC1CCOCC1)C[C@@H]2COCc1ccncc1 ZINC000263621722 464135638 /nfs/dbraw/zinc/13/56/38/464135638.db2.gz BYICZFIPYPVNKA-LJQANCHMSA-N 2 1 342.443 2.278 40 0 EEABMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1sccc1Br ZINC000097378274 463356442 /nfs/dbraw/zinc/35/64/42/463356442.db2.gz KYCNDDQOYNAGGB-NSHDSACASA-N 2 1 332.311 2.236 40 0 EEABMP CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000195560322 464075573 /nfs/dbraw/zinc/07/55/73/464075573.db2.gz LOQLKIUWMZZKFG-GBESFXJTSA-N 2 1 344.503 2.100 40 0 EEABMP Cc1[nH+]ccn1-c1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2CCO)cc1 ZINC000019288262 212011233 /nfs/dbraw/zinc/01/12/33/212011233.db2.gz KKNWIUWKISBNFJ-UXHICEINSA-N 2 1 340.471 2.212 40 0 EEABMP Cc1[nH+]ccn1-c1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2CCO)cc1 ZINC000019288262 212011235 /nfs/dbraw/zinc/01/12/35/212011235.db2.gz KKNWIUWKISBNFJ-UXHICEINSA-N 2 1 340.471 2.212 40 0 EEABMP CC(C)[C@H](O)C[NH+]1CCCC2(CCC[N@H+](C[C@@H](O)C(C)C)C2)C1 ZINC000366586759 280345800 /nfs/dbraw/zinc/34/58/00/280345800.db2.gz AWBYNCSPTOKVKS-PWCSWUJKSA-N 2 1 326.525 2.198 40 0 EEABMP C[NH+]1CCN([C@@H]2COC3(C2)CC[NH+](Cc2ccsc2)CC3)CC1 ZINC000096048841 463153592 /nfs/dbraw/zinc/15/35/92/463153592.db2.gz WYWBHDXVTJYBIB-KRWDZBQOSA-N 2 1 335.517 2.119 40 0 EEABMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](CC(=O)N(C)C)CC3)c1 ZINC000096088819 463170139 /nfs/dbraw/zinc/17/01/39/463170139.db2.gz BGOZZKOQZMOVKM-UHFFFAOYSA-N 2 1 345.487 2.071 40 0 EEABMP CC(C)[NH+]1CCC(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000097238305 463352113 /nfs/dbraw/zinc/35/21/13/463352113.db2.gz LOMFHRMXPGMHOD-VQTJNVASSA-N 2 1 331.504 2.084 40 0 EEABMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000097238305 463352116 /nfs/dbraw/zinc/35/21/16/463352116.db2.gz LOMFHRMXPGMHOD-VQTJNVASSA-N 2 1 331.504 2.084 40 0 EEABMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000252585965 464983855 /nfs/dbraw/zinc/98/38/55/464983855.db2.gz MMEZOPIAQKQLAW-BPQIPLTHSA-N 2 1 346.471 2.437 40 0 EEABMP Cc1c(C[NH2+]CCC[NH+]2CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000067667145 463034937 /nfs/dbraw/zinc/03/49/37/463034937.db2.gz NUAKEHJODUHLPE-UHFFFAOYSA-N 2 1 328.460 2.060 40 0 EEABMP Cn1cncc1-c1cncc(C2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000257342601 244573584 /nfs/dbraw/zinc/57/35/84/244573584.db2.gz ZPKLQSZEVWLXMS-UHFFFAOYSA-N 2 1 340.475 2.151 40 0 EEABMP CC(C)[N@H+](C)C[C@@H]1CC[C@@]2(COCC[NH+](Cc3cccnc3)C2)O1 ZINC000096052319 463156144 /nfs/dbraw/zinc/15/61/44/463156144.db2.gz ILCYKQGOUBPGJT-RBUKOAKNSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[N@@H+](C)C[C@@H]1CC[C@@]2(COCC[NH+](Cc3cccnc3)C2)O1 ZINC000096052319 463156145 /nfs/dbraw/zinc/15/61/45/463156145.db2.gz ILCYKQGOUBPGJT-RBUKOAKNSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@H+](Cc3cccnc3)C2)O1 ZINC000096052319 463156152 /nfs/dbraw/zinc/15/61/52/463156152.db2.gz ILCYKQGOUBPGJT-RBUKOAKNSA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3cccnc3)C2)O1 ZINC000096052319 463156157 /nfs/dbraw/zinc/15/61/57/463156157.db2.gz ILCYKQGOUBPGJT-RBUKOAKNSA-N 2 1 333.476 2.172 40 0 EEABMP COc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCC[NH+](C)C)CC[C@H]32)cc1 ZINC000096055213 463158430 /nfs/dbraw/zinc/15/84/30/463158430.db2.gz QQGYWMKDZYYSIZ-MISYRCLQSA-N 2 1 348.487 2.253 40 0 EEABMP COc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCC[NH+](C)C)CC[C@H]32)cc1 ZINC000096055213 463158434 /nfs/dbraw/zinc/15/84/34/463158434.db2.gz QQGYWMKDZYYSIZ-MISYRCLQSA-N 2 1 348.487 2.253 40 0 EEABMP Cc1cccc(C[N@H+]2CCC[C@]3(C[C@H](C[NH+]4CCOCC4)CO3)C2)n1 ZINC000096075585 463168436 /nfs/dbraw/zinc/16/84/36/463168436.db2.gz WAUJAMRVEFMVGK-QUCCMNQESA-N 2 1 345.487 2.093 40 0 EEABMP CC[C@H]([NH2+]Cc1cccc(NC(=O)C[NH+](C)C)c1)c1cnn(C)c1 ZINC000097228273 463351581 /nfs/dbraw/zinc/35/15/81/463351581.db2.gz YYCUNRGWWKNQFJ-KRWDZBQOSA-N 2 1 329.448 2.161 40 0 EEABMP COCC[N@@H+](C)C[C@H]1CO[C@]2(C1)CCC[NH+](Cc1cccc(C)n1)C2 ZINC000248029022 464724633 /nfs/dbraw/zinc/72/46/33/464724633.db2.gz SQBBBTJPPHPKKK-ICSRJNTNSA-N 2 1 347.503 2.339 40 0 EEABMP COCC[NH+](C)C[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(C)n1)C2 ZINC000248029022 464724639 /nfs/dbraw/zinc/72/46/39/464724639.db2.gz SQBBBTJPPHPKKK-ICSRJNTNSA-N 2 1 347.503 2.339 40 0 EEABMP COCC[NH+](C)C[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccc(C)n1)C2 ZINC000248029022 464724644 /nfs/dbraw/zinc/72/46/44/464724644.db2.gz SQBBBTJPPHPKKK-ICSRJNTNSA-N 2 1 347.503 2.339 40 0 EEABMP Cc1nnc2n1C1(CC[NH+](Cc3cccc(F)c3)CC1)C[N@H+](C)C2 ZINC000306126240 466489342 /nfs/dbraw/zinc/48/93/42/466489342.db2.gz DQOGHPHBVWLNMU-UHFFFAOYSA-N 2 1 329.423 2.162 40 0 EEABMP Cc1nnc2n1C1(CC[NH+](Cc3cccc(F)c3)CC1)C[N@@H+](C)C2 ZINC000306126240 466489353 /nfs/dbraw/zinc/48/93/53/466489353.db2.gz DQOGHPHBVWLNMU-UHFFFAOYSA-N 2 1 329.423 2.162 40 0 EEABMP CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000079404770 217220003 /nfs/dbraw/zinc/22/00/03/217220003.db2.gz HTPIXMZDHMKSNX-HKUYNNGSSA-N 2 1 329.488 2.483 40 0 EEABMP c1cc(C[N@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)cs1 ZINC000096052013 463154787 /nfs/dbraw/zinc/15/47/87/463154787.db2.gz QQZAVYHQRVWIMO-MSOLQXFVSA-N 2 1 336.501 2.451 40 0 EEABMP c1cc(C[N@@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)cs1 ZINC000096052013 463154791 /nfs/dbraw/zinc/15/47/91/463154791.db2.gz QQZAVYHQRVWIMO-MSOLQXFVSA-N 2 1 336.501 2.451 40 0 EEABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc(F)cc1 ZINC000248065006 464728240 /nfs/dbraw/zinc/72/82/40/464728240.db2.gz ZRIRAWQRHWOJEO-WDSOQIARSA-N 2 1 336.451 2.383 40 0 EEABMP C[NH+](C)CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc(F)cc1 ZINC000248065006 464728247 /nfs/dbraw/zinc/72/82/47/464728247.db2.gz ZRIRAWQRHWOJEO-WDSOQIARSA-N 2 1 336.451 2.383 40 0 EEABMP COc1ccc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+](C)C)O3)C2)cc1 ZINC000096052291 463156499 /nfs/dbraw/zinc/15/64/99/463156499.db2.gz XZPJVHXPMILBAX-OALUTQOASA-N 2 1 334.460 2.007 40 0 EEABMP COc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COCC[NH+](C)C)CC[C@@H]32)cc1 ZINC000096055214 463158807 /nfs/dbraw/zinc/15/88/07/463158807.db2.gz QQGYWMKDZYYSIZ-YSIASYRMSA-N 2 1 348.487 2.253 40 0 EEABMP COc1ccc(C[N@H+]2CCO[C@@H]3[C@H](COCC[NH+](C)C)CC[C@@H]32)cc1 ZINC000096055214 463158810 /nfs/dbraw/zinc/15/88/10/463158810.db2.gz QQGYWMKDZYYSIZ-YSIASYRMSA-N 2 1 348.487 2.253 40 0 EEABMP CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096157590 463189093 /nfs/dbraw/zinc/18/90/93/463189093.db2.gz KNMLJQCAGAIJCF-UHFFFAOYSA-N 2 1 333.451 2.202 40 0 EEABMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCO[C@H]3CCCCO3)C2)CC1 ZINC000241926472 243006406 /nfs/dbraw/zinc/00/64/06/243006406.db2.gz UGMMGEDRZMULCY-MOPGFXCFSA-N 2 1 339.524 2.022 40 0 EEABMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCCO[C@H]3CCCCO3)C2)CC1 ZINC000241926472 243006412 /nfs/dbraw/zinc/00/64/12/243006412.db2.gz UGMMGEDRZMULCY-MOPGFXCFSA-N 2 1 339.524 2.022 40 0 EEABMP CC[N@@H+]1CCC[C@@](O)(C[NH+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000041124073 285261891 /nfs/dbraw/zinc/26/18/91/285261891.db2.gz IOYRSYIQNYLCER-LJQANCHMSA-N 2 1 336.476 2.025 40 0 EEABMP CC[N@H+]1CCC[C@@](O)(C[NH+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000041124073 285261894 /nfs/dbraw/zinc/26/18/94/285261894.db2.gz IOYRSYIQNYLCER-LJQANCHMSA-N 2 1 336.476 2.025 40 0 EEABMP CC[NH+]1CCC[C@@](O)(C[N@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000041124073 285261896 /nfs/dbraw/zinc/26/18/96/285261896.db2.gz IOYRSYIQNYLCER-LJQANCHMSA-N 2 1 336.476 2.025 40 0 EEABMP CC[NH+]1CCC[C@@](O)(C[N@@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000041124073 285261899 /nfs/dbraw/zinc/26/18/99/285261899.db2.gz IOYRSYIQNYLCER-LJQANCHMSA-N 2 1 336.476 2.025 40 0 EEABMP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)o1 ZINC000096052333 463156441 /nfs/dbraw/zinc/15/64/41/463156441.db2.gz VFMPYBXEYILCLD-MOPGFXCFSA-N 2 1 334.460 2.434 40 0 EEABMP Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)o1 ZINC000096052333 463156447 /nfs/dbraw/zinc/15/64/47/463156447.db2.gz VFMPYBXEYILCLD-MOPGFXCFSA-N 2 1 334.460 2.434 40 0 EEABMP Cc1ccc(C[N@@H+]2C[C@H](OCC3CC[NH+](C)CC3)[C@H]3COC[C@H]32)o1 ZINC000096064171 463162836 /nfs/dbraw/zinc/16/28/36/463162836.db2.gz CBJYANLENOPUAL-OTWHNJEPSA-N 2 1 334.460 2.146 40 0 EEABMP c1cncc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccnc2)CCO3)c1 ZINC000096158796 463188876 /nfs/dbraw/zinc/18/88/76/463188876.db2.gz ABSNOBMNZABABH-UHFFFAOYSA-N 2 1 338.455 2.344 40 0 EEABMP c1cncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccnc2)CCO3)c1 ZINC000096158796 463188879 /nfs/dbraw/zinc/18/88/79/463188879.db2.gz ABSNOBMNZABABH-UHFFFAOYSA-N 2 1 338.455 2.344 40 0 EEABMP C[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 ZINC000585285491 469007258 /nfs/dbraw/zinc/00/72/58/469007258.db2.gz DSWBPFJWSZHGHJ-NIKGAXFTSA-N 2 1 336.451 2.418 40 0 EEABMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCc3ccnn3C)CC2)C[C@H](C)O1 ZINC000253420898 465008752 /nfs/dbraw/zinc/00/87/52/465008752.db2.gz NHOKFWSENYMFID-CALCHBBNSA-N 2 1 334.508 2.174 40 0 EEABMP Cc1ccsc1C[NH+]1CCN(C2=NO[C@@H]3C[N@@H+](C(C)C)C[C@@H]23)CC1 ZINC000306129345 466490007 /nfs/dbraw/zinc/49/00/07/466490007.db2.gz IBASQDVAOJDOPD-HZPDHXFCSA-N 2 1 348.516 2.227 40 0 EEABMP Cc1ccsc1C[NH+]1CCN(C2=NO[C@@H]3C[N@H+](C(C)C)C[C@@H]23)CC1 ZINC000306129345 466490014 /nfs/dbraw/zinc/49/00/14/466490014.db2.gz IBASQDVAOJDOPD-HZPDHXFCSA-N 2 1 348.516 2.227 40 0 EEABMP CC(C)[NH+]1CCC(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000097238307 463352887 /nfs/dbraw/zinc/35/28/87/463352887.db2.gz LOMFHRMXPGMHOD-WOJBJXKFSA-N 2 1 331.504 2.084 40 0 EEABMP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000097238307 463352893 /nfs/dbraw/zinc/35/28/93/463352893.db2.gz LOMFHRMXPGMHOD-WOJBJXKFSA-N 2 1 331.504 2.084 40 0 EEABMP CC[NH+](CC)CCCN[C@@H]1CC[N@H+](Cc2ccccc2F)C[C@H]1O ZINC000057742195 463516425 /nfs/dbraw/zinc/51/64/25/463516425.db2.gz UOSFCEGAHPFYKS-RTBURBONSA-N 2 1 337.483 2.082 40 0 EEABMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2F)C[C@H]1O ZINC000057742195 463516428 /nfs/dbraw/zinc/51/64/28/463516428.db2.gz UOSFCEGAHPFYKS-RTBURBONSA-N 2 1 337.483 2.082 40 0 EEABMP CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000009062950 462798443 /nfs/dbraw/zinc/79/84/43/462798443.db2.gz WGXDFLLKBCWSKF-UHFFFAOYSA-N 2 1 329.488 2.371 40 0 EEABMP c1csc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)c1 ZINC000096052012 463155349 /nfs/dbraw/zinc/15/53/49/463155349.db2.gz YANOCVUOIJRALB-SJLPKXTDSA-N 2 1 336.501 2.451 40 0 EEABMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+](Cc1cccnc1)CC2 ZINC000096196886 463203013 /nfs/dbraw/zinc/20/30/13/463203013.db2.gz QKRCYAKCOHYMBD-UHFFFAOYSA-N 2 1 325.460 2.322 40 0 EEABMP C[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](C3CC3)C[C@@H]2Cc2ccccc2)C1 ZINC000085472669 462550200 /nfs/dbraw/zinc/55/02/00/462550200.db2.gz NERJZRQOGRXWRW-ICSRJNTNSA-N 2 1 341.499 2.246 40 0 EEABMP C[N@H+]1CCC[C@H](C(=O)N2CC[NH+](C3CC3)C[C@@H]2Cc2ccccc2)C1 ZINC000085472669 462550205 /nfs/dbraw/zinc/55/02/05/462550205.db2.gz NERJZRQOGRXWRW-ICSRJNTNSA-N 2 1 341.499 2.246 40 0 EEABMP C[NH+]1CCC[C@H](C(=O)N2CC[N@@H+](C3CC3)C[C@@H]2Cc2ccccc2)C1 ZINC000085472669 462550211 /nfs/dbraw/zinc/55/02/11/462550211.db2.gz NERJZRQOGRXWRW-ICSRJNTNSA-N 2 1 341.499 2.246 40 0 EEABMP C[NH+]1CCC[C@H](C(=O)N2CC[N@H+](C3CC3)C[C@@H]2Cc2ccccc2)C1 ZINC000085472669 462550214 /nfs/dbraw/zinc/55/02/14/462550214.db2.gz NERJZRQOGRXWRW-ICSRJNTNSA-N 2 1 341.499 2.246 40 0 EEABMP CC(C)c1cc(N2CCC[N@@H+](C3CCOCC3)CC2)nc(N(C)C)[nH+]1 ZINC000095403258 463077616 /nfs/dbraw/zinc/07/76/16/463077616.db2.gz WSUGJXRRTGWFGH-UHFFFAOYSA-N 2 1 347.507 2.357 40 0 EEABMP CC(C)c1cc(N2CCC[N@H+](C3CCOCC3)CC2)nc(N(C)C)[nH+]1 ZINC000095403258 463077621 /nfs/dbraw/zinc/07/76/21/463077621.db2.gz WSUGJXRRTGWFGH-UHFFFAOYSA-N 2 1 347.507 2.357 40 0 EEABMP C[NH+]1CCN([C@H]2COC3(C2)CC[NH+](Cc2ccsc2)CC3)CC1 ZINC000096048840 463153588 /nfs/dbraw/zinc/15/35/88/463153588.db2.gz WYWBHDXVTJYBIB-QGZVFWFLSA-N 2 1 335.517 2.119 40 0 EEABMP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000097101612 463323847 /nfs/dbraw/zinc/32/38/47/463323847.db2.gz NKXHMPSNPVVMJO-OALUTQOASA-N 2 1 344.503 2.244 40 0 EEABMP Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)o1 ZINC000096052018 463154814 /nfs/dbraw/zinc/15/48/14/463154814.db2.gz QXSQGNSVZIVTGL-IEBWSBKVSA-N 2 1 334.460 2.291 40 0 EEABMP Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)o1 ZINC000096052018 463154816 /nfs/dbraw/zinc/15/48/16/463154816.db2.gz QXSQGNSVZIVTGL-IEBWSBKVSA-N 2 1 334.460 2.291 40 0 EEABMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+]([C@@H]4CCOC4)CC3)C2)c1 ZINC000096158875 463190739 /nfs/dbraw/zinc/19/07/39/463190739.db2.gz MCEVQHPLODVETR-GOSISDBHSA-N 2 1 346.471 2.151 40 0 EEABMP COc1cccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4CCOC4)CC3)C2)c1 ZINC000096158875 463190742 /nfs/dbraw/zinc/19/07/42/463190742.db2.gz MCEVQHPLODVETR-GOSISDBHSA-N 2 1 346.471 2.151 40 0 EEABMP c1c[nH]c(C[NH+]2CCC3(CC2)COCC[N@@H+](CCN2CCCC2)C3)c1 ZINC000096239869 463224354 /nfs/dbraw/zinc/22/43/54/463224354.db2.gz GLBQPZWALWEZAC-UHFFFAOYSA-N 2 1 346.519 2.025 40 0 EEABMP c1c[nH]c(C[NH+]2CCC3(CC2)COCC[N@H+](CCN2CCCC2)C3)c1 ZINC000096239869 463224356 /nfs/dbraw/zinc/22/43/56/463224356.db2.gz GLBQPZWALWEZAC-UHFFFAOYSA-N 2 1 346.519 2.025 40 0 EEABMP CC(C)[NH+]1CCC(Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000195557891 464076205 /nfs/dbraw/zinc/07/62/05/464076205.db2.gz WWFKXDKTWPJPPC-LJQANCHMSA-N 2 1 344.503 2.421 40 0 EEABMP C[N@H+](Cc1ccccn1)[C@H]1CO[C@@]2(CC[NH+](Cc3ccncc3)C2)C1 ZINC000248122883 464732862 /nfs/dbraw/zinc/73/28/62/464732862.db2.gz NPCSWIDYDJIEDJ-UXHICEINSA-N 2 1 338.455 2.342 40 0 EEABMP C[N@@H+](Cc1ccccn1)[C@H]1CO[C@@]2(CC[NH+](Cc3ccncc3)C2)C1 ZINC000248122883 464732864 /nfs/dbraw/zinc/73/28/64/464732864.db2.gz NPCSWIDYDJIEDJ-UXHICEINSA-N 2 1 338.455 2.342 40 0 EEABMP C[NH+](Cc1ccccn1)[C@H]1CO[C@@]2(CC[N@H+](Cc3ccncc3)C2)C1 ZINC000248122883 464732866 /nfs/dbraw/zinc/73/28/66/464732866.db2.gz NPCSWIDYDJIEDJ-UXHICEINSA-N 2 1 338.455 2.342 40 0 EEABMP C[NH+](Cc1ccccn1)[C@H]1CO[C@@]2(CC[N@@H+](Cc3ccncc3)C2)C1 ZINC000248122883 464732869 /nfs/dbraw/zinc/73/28/69/464732869.db2.gz NPCSWIDYDJIEDJ-UXHICEINSA-N 2 1 338.455 2.342 40 0 EEABMP COc1cccc(CCC[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000096424370 463254951 /nfs/dbraw/zinc/25/49/51/463254951.db2.gz WIGKUFFABFMUPH-LJQANCHMSA-N 2 1 331.504 2.340 40 0 EEABMP COC[C@@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000248164501 464735429 /nfs/dbraw/zinc/73/54/29/464735429.db2.gz ZBKGURVMTXYGPJ-INIZCTEOSA-N 2 1 332.444 2.206 40 0 EEABMP CC(C)[N@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1cccnc1)C2 ZINC000107738690 204244771 /nfs/dbraw/zinc/24/47/71/204244771.db2.gz RIODWSKZRJJPQA-RTBURBONSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[N@@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1cccnc1)C2 ZINC000107738690 204244777 /nfs/dbraw/zinc/24/47/77/204244777.db2.gz RIODWSKZRJJPQA-RTBURBONSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC000107738690 204244783 /nfs/dbraw/zinc/24/47/83/204244783.db2.gz RIODWSKZRJJPQA-RTBURBONSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000107738690 204244786 /nfs/dbraw/zinc/24/47/86/204244786.db2.gz RIODWSKZRJJPQA-RTBURBONSA-N 2 1 333.476 2.029 40 0 EEABMP c1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)co1 ZINC000096055162 463155922 /nfs/dbraw/zinc/15/59/22/463155922.db2.gz BKVRCSYEJCNBNH-RTBURBONSA-N 2 1 327.428 2.398 40 0 EEABMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)co1 ZINC000096055162 463155928 /nfs/dbraw/zinc/15/59/28/463155928.db2.gz BKVRCSYEJCNBNH-RTBURBONSA-N 2 1 327.428 2.398 40 0 EEABMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)co1 ZINC000096055162 463155931 /nfs/dbraw/zinc/15/59/31/463155931.db2.gz BKVRCSYEJCNBNH-RTBURBONSA-N 2 1 327.428 2.398 40 0 EEABMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)co1 ZINC000096055162 463155937 /nfs/dbraw/zinc/15/59/37/463155937.db2.gz BKVRCSYEJCNBNH-RTBURBONSA-N 2 1 327.428 2.398 40 0 EEABMP CC(C)[N@@H+](C)CCCCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000252476775 464957630 /nfs/dbraw/zinc/95/76/30/464957630.db2.gz BEXBXLGHZUUJGD-BZSNNMDCSA-N 2 1 336.524 2.233 40 0 EEABMP CC(C)[NH+](C)CCCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000252476775 464957636 /nfs/dbraw/zinc/95/76/36/464957636.db2.gz BEXBXLGHZUUJGD-BZSNNMDCSA-N 2 1 336.524 2.233 40 0 EEABMP CC(C)[NH+](C)CCCCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000252476775 464957638 /nfs/dbraw/zinc/95/76/38/464957638.db2.gz BEXBXLGHZUUJGD-BZSNNMDCSA-N 2 1 336.524 2.233 40 0 EEABMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000090467130 462793022 /nfs/dbraw/zinc/79/30/22/462793022.db2.gz VQDKHQMLRYECNV-CXAGYDPISA-N 2 1 333.457 2.409 40 0 EEABMP c1cc(C[N@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)cs1 ZINC000096052014 463154870 /nfs/dbraw/zinc/15/48/70/463154870.db2.gz QQZAVYHQRVWIMO-QZTJIDSGSA-N 2 1 336.501 2.451 40 0 EEABMP c1cc(C[N@@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)cs1 ZINC000096052014 463154872 /nfs/dbraw/zinc/15/48/72/463154872.db2.gz QQZAVYHQRVWIMO-QZTJIDSGSA-N 2 1 336.501 2.451 40 0 EEABMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000195560650 464077625 /nfs/dbraw/zinc/07/76/25/464077625.db2.gz UFCDWAOWOVJUHS-ICSRJNTNSA-N 2 1 331.504 2.300 40 0 EEABMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000195560650 464077630 /nfs/dbraw/zinc/07/76/30/464077630.db2.gz UFCDWAOWOVJUHS-ICSRJNTNSA-N 2 1 331.504 2.300 40 0 EEABMP CCC1(CC)C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC[S@@]1=O ZINC000192801385 465001156 /nfs/dbraw/zinc/00/11/56/465001156.db2.gz CPVFEBOFKSPEDZ-QHCPKHFHSA-N 2 1 343.581 2.026 40 0 EEABMP CCC1(CC)C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC[S@@]1=O ZINC000192801385 465001163 /nfs/dbraw/zinc/00/11/63/465001163.db2.gz CPVFEBOFKSPEDZ-QHCPKHFHSA-N 2 1 343.581 2.026 40 0 EEABMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[NH+]4CCOCC4)OC[C@H]3C2)s1 ZINC000096056212 463158563 /nfs/dbraw/zinc/15/85/63/463158563.db2.gz LKXPWVFTIBAYAE-NXHRZFHOSA-N 2 1 336.501 2.226 40 0 EEABMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[NH+]4CCOCC4)OC[C@H]3C2)s1 ZINC000096056212 463158569 /nfs/dbraw/zinc/15/85/69/463158569.db2.gz LKXPWVFTIBAYAE-NXHRZFHOSA-N 2 1 336.501 2.226 40 0 EEABMP C[N@H+]1CCC[C@H](CNC(=O)c2ncccc2-c2cccc(C[NH3+])c2)C1 ZINC000257223030 536386787 /nfs/dbraw/zinc/38/67/87/536386787.db2.gz DVOQQGFJHAVLMG-MRXNPFEDSA-N 2 1 338.455 2.279 40 0 EEABMP COCC[N@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585102965 468970708 /nfs/dbraw/zinc/97/07/08/468970708.db2.gz KCFACDMUUVGMKK-QGZVFWFLSA-N 2 1 336.476 2.395 40 0 EEABMP COc1ccc(C[NH2+]CC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000012489385 211393559 /nfs/dbraw/zinc/39/35/59/211393559.db2.gz XHIDEXZXYXIKAG-YZVOILCLSA-N 2 1 336.476 2.275 40 0 EEABMP C[NH+](C)CCOCc1ncn2c1C[N@H+](Cc1cccs1)CCC2 ZINC000096085053 463170106 /nfs/dbraw/zinc/17/01/06/463170106.db2.gz XRUWDNKGCMQDBV-UHFFFAOYSA-N 2 1 334.489 2.429 40 0 EEABMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](Cc1cccs1)CCC2 ZINC000096085053 463170110 /nfs/dbraw/zinc/17/01/10/463170110.db2.gz XRUWDNKGCMQDBV-UHFFFAOYSA-N 2 1 334.489 2.429 40 0 EEABMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000096489098 463284857 /nfs/dbraw/zinc/28/48/57/463284857.db2.gz CTQBFYNALCJSQT-UHFFFAOYSA-N 2 1 345.834 2.375 40 0 EEABMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000096489098 463284863 /nfs/dbraw/zinc/28/48/63/463284863.db2.gz CTQBFYNALCJSQT-UHFFFAOYSA-N 2 1 345.834 2.375 40 0 EEABMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188917399 464395513 /nfs/dbraw/zinc/39/55/13/464395513.db2.gz RUHLULNUBGJBEG-FUHWJXTLSA-N 2 1 345.418 2.228 40 0 EEABMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188917399 464395518 /nfs/dbraw/zinc/39/55/18/464395518.db2.gz RUHLULNUBGJBEG-FUHWJXTLSA-N 2 1 345.418 2.228 40 0 EEABMP CC[NH+](CC)Cc1cnc2n1CC[N@@H+](Cc1cccnc1OC)CC2 ZINC000096196828 463203438 /nfs/dbraw/zinc/20/34/38/463203438.db2.gz MNSCVLLTMJLKPU-UHFFFAOYSA-N 2 1 343.475 2.187 40 0 EEABMP CC[NH+](CC)Cc1cnc2n1CC[N@H+](Cc1cccnc1OC)CC2 ZINC000096196828 463203441 /nfs/dbraw/zinc/20/34/41/463203441.db2.gz MNSCVLLTMJLKPU-UHFFFAOYSA-N 2 1 343.475 2.187 40 0 EEABMP Cc1cccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000107243871 463562053 /nfs/dbraw/zinc/56/20/53/463562053.db2.gz SUELMVMUFZWUCW-AZUAARDMSA-N 2 1 345.487 2.093 40 0 EEABMP Cc1cccc(C[N@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)n1 ZINC000107243871 463562055 /nfs/dbraw/zinc/56/20/55/463562055.db2.gz SUELMVMUFZWUCW-AZUAARDMSA-N 2 1 345.487 2.093 40 0 EEABMP CC(C)[N@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccccn1)C2 ZINC000107738685 463580434 /nfs/dbraw/zinc/58/04/34/463580434.db2.gz ZDEYKZYGZUELCP-IEBWSBKVSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[N@@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1ccccn1)C2 ZINC000107738685 463580440 /nfs/dbraw/zinc/58/04/40/463580440.db2.gz ZDEYKZYGZUELCP-IEBWSBKVSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC000107738685 463580445 /nfs/dbraw/zinc/58/04/45/463580445.db2.gz ZDEYKZYGZUELCP-IEBWSBKVSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000107738685 463580448 /nfs/dbraw/zinc/58/04/48/463580448.db2.gz ZDEYKZYGZUELCP-IEBWSBKVSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[N@H+](C)C[C@@H]1CC[C@]2(COCC[NH+](Cc3ccncc3)C2)O1 ZINC000107739595 463581449 /nfs/dbraw/zinc/58/14/49/463581449.db2.gz MERXWBOWQWLKRT-OALUTQOASA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[N@@H+](C)C[C@@H]1CC[C@]2(COCC[NH+](Cc3ccncc3)C2)O1 ZINC000107739595 463581453 /nfs/dbraw/zinc/58/14/53/463581453.db2.gz MERXWBOWQWLKRT-OALUTQOASA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CC[C@]2(COCC[N@H+](Cc3ccncc3)C2)O1 ZINC000107739595 463581459 /nfs/dbraw/zinc/58/14/59/463581459.db2.gz MERXWBOWQWLKRT-OALUTQOASA-N 2 1 333.476 2.172 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3ccncc3)C2)O1 ZINC000107739595 463581462 /nfs/dbraw/zinc/58/14/62/463581462.db2.gz MERXWBOWQWLKRT-OALUTQOASA-N 2 1 333.476 2.172 40 0 EEABMP Cc1cccc(C[N@H+]2CCC[C@@]3(C[C@@H](C[NH+]4CCOCC4)CO3)C2)n1 ZINC000107790497 463583185 /nfs/dbraw/zinc/58/31/85/463583185.db2.gz WAUJAMRVEFMVGK-AZUAARDMSA-N 2 1 345.487 2.093 40 0 EEABMP Cc1cccc(C[NH+]2CCOC[C@@]3(C[C@@H](C[N@@H+](C)C(C)C)CO3)C2)n1 ZINC000107795336 463583526 /nfs/dbraw/zinc/58/35/26/463583526.db2.gz LEKUUXOIBNPIGD-AZUAARDMSA-N 2 1 347.503 2.338 40 0 EEABMP Cc1cccc(C[NH+]2CCOC[C@@]3(C[C@@H](C[N@H+](C)C(C)C)CO3)C2)n1 ZINC000107795336 463583528 /nfs/dbraw/zinc/58/35/28/463583528.db2.gz LEKUUXOIBNPIGD-AZUAARDMSA-N 2 1 347.503 2.338 40 0 EEABMP Cc1cccc(C[N@H+]2CCOC[C@@]3(C[C@@H](C[NH+](C)C(C)C)CO3)C2)n1 ZINC000107795336 463583533 /nfs/dbraw/zinc/58/35/33/463583533.db2.gz LEKUUXOIBNPIGD-AZUAARDMSA-N 2 1 347.503 2.338 40 0 EEABMP Cc1cccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](C[NH+](C)C(C)C)CO3)C2)n1 ZINC000107795336 463583537 /nfs/dbraw/zinc/58/35/37/463583537.db2.gz LEKUUXOIBNPIGD-AZUAARDMSA-N 2 1 347.503 2.338 40 0 EEABMP c1ccc(N2CC[NH+](C3CCN(C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000252503090 464972616 /nfs/dbraw/zinc/97/26/16/464972616.db2.gz UYFMRHRPVQDOOA-FQEVSTJZSA-N 2 1 329.488 2.452 40 0 EEABMP O[C@H]1C[N@H+](C2CCOCC2)CC[C@@]12CCC[NH+]2CCc1ccccc1 ZINC000257273474 244385202 /nfs/dbraw/zinc/38/52/02/244385202.db2.gz NGSNCZMQENSTQN-SFTDATJTSA-N 2 1 344.499 2.309 40 0 EEABMP O[C@H]1C[NH+](C2CCOCC2)CC[C@@]12CCC[N@@H+]2CCc1ccccc1 ZINC000257273474 244385208 /nfs/dbraw/zinc/38/52/08/244385208.db2.gz NGSNCZMQENSTQN-SFTDATJTSA-N 2 1 344.499 2.309 40 0 EEABMP O[C@H]1C[NH+](C2CCOCC2)CC[C@@]12CCC[N@H+]2CCc1ccccc1 ZINC000257273474 244385214 /nfs/dbraw/zinc/38/52/14/244385214.db2.gz NGSNCZMQENSTQN-SFTDATJTSA-N 2 1 344.499 2.309 40 0 EEABMP C[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163993714 226036096 /nfs/dbraw/zinc/03/60/96/226036096.db2.gz RVDAVLLFCILEJT-LBPRGKRZSA-N 2 1 329.366 2.087 40 0 EEABMP C[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163993714 226036099 /nfs/dbraw/zinc/03/60/99/226036099.db2.gz RVDAVLLFCILEJT-LBPRGKRZSA-N 2 1 329.366 2.087 40 0 EEABMP Cc1[nH+]ccn1Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000044913509 462540105 /nfs/dbraw/zinc/54/01/05/462540105.db2.gz MRQHBWOSKKEFMR-UHFFFAOYSA-N 2 1 326.444 2.456 40 0 EEABMP Cc1ccc(C[NH+]2CCC3(CC[N@H+](CC(=O)N(C)C)C3)CC2)cc1 ZINC000096062894 463162953 /nfs/dbraw/zinc/16/29/53/463162953.db2.gz MVEYDPHNLYDMOK-UHFFFAOYSA-N 2 1 329.488 2.371 40 0 EEABMP CC(C)[N@@H+](C)CCCCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000252476776 464957207 /nfs/dbraw/zinc/95/72/07/464957207.db2.gz BEXBXLGHZUUJGD-KSZLIROESA-N 2 1 336.524 2.233 40 0 EEABMP CC(C)[NH+](C)CCCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000252476776 464957213 /nfs/dbraw/zinc/95/72/13/464957213.db2.gz BEXBXLGHZUUJGD-KSZLIROESA-N 2 1 336.524 2.233 40 0 EEABMP CC(C)[NH+](C)CCCCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000252476776 464957218 /nfs/dbraw/zinc/95/72/18/464957218.db2.gz BEXBXLGHZUUJGD-KSZLIROESA-N 2 1 336.524 2.233 40 0 EEABMP CC(C)[C@@H](O)C[N@H+]1CCC[C@@]2(CCC[NH+](C[C@@H](O)C(C)C)C2)C1 ZINC000366586757 465818231 /nfs/dbraw/zinc/81/82/31/465818231.db2.gz AWBYNCSPTOKVKS-CEXWTWQISA-N 2 1 326.525 2.198 40 0 EEABMP Ic1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1 ZINC000141169655 274916190 /nfs/dbraw/zinc/91/61/90/274916190.db2.gz MQTKGZOYBXDLTD-UHFFFAOYSA-N 2 1 339.180 2.249 40 0 EEABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@@H]1CCOC1)CC2 ZINC000096051798 277250285 /nfs/dbraw/zinc/25/02/85/277250285.db2.gz ZHGHOJCZMQELQS-MOPGFXCFSA-N 2 1 345.487 2.173 40 0 EEABMP CC(C)n1cc(CN2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)cn1 ZINC000247988382 464720709 /nfs/dbraw/zinc/72/07/09/464720709.db2.gz JJEMPXAESBCKHG-RCCFBDPRSA-N 2 1 341.459 2.418 40 0 EEABMP Cc1ccsc1C[NH+]1CCN(C2=NO[C@H]3C[N@@H+](C(C)C)C[C@@H]23)CC1 ZINC000306129343 466489638 /nfs/dbraw/zinc/48/96/38/466489638.db2.gz IBASQDVAOJDOPD-CVEARBPZSA-N 2 1 348.516 2.227 40 0 EEABMP Cc1ccsc1C[NH+]1CCN(C2=NO[C@H]3C[N@H+](C(C)C)C[C@@H]23)CC1 ZINC000306129343 466489648 /nfs/dbraw/zinc/48/96/48/466489648.db2.gz IBASQDVAOJDOPD-CVEARBPZSA-N 2 1 348.516 2.227 40 0 EEABMP C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](C3CC3)C[C@H]2Cc2ccccc2)C1 ZINC000245026646 277052881 /nfs/dbraw/zinc/05/28/81/277052881.db2.gz NERJZRQOGRXWRW-UYAOXDASSA-N 2 1 341.499 2.246 40 0 EEABMP C[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](C3CC3)C[C@H]2Cc2ccccc2)C1 ZINC000245026646 277052883 /nfs/dbraw/zinc/05/28/83/277052883.db2.gz NERJZRQOGRXWRW-UYAOXDASSA-N 2 1 341.499 2.246 40 0 EEABMP C[NH+]1CCC[C@@H](C(=O)N2CC[N@@H+](C3CC3)C[C@H]2Cc2ccccc2)C1 ZINC000245026646 277052885 /nfs/dbraw/zinc/05/28/85/277052885.db2.gz NERJZRQOGRXWRW-UYAOXDASSA-N 2 1 341.499 2.246 40 0 EEABMP C[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](C3CC3)C[C@H]2Cc2ccccc2)C1 ZINC000245026646 277052886 /nfs/dbraw/zinc/05/28/86/277052886.db2.gz NERJZRQOGRXWRW-UYAOXDASSA-N 2 1 341.499 2.246 40 0 EEABMP Cn1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cn1 ZINC000096048950 463152621 /nfs/dbraw/zinc/15/26/21/463152621.db2.gz GWRBTWUBFOJLRH-UHFFFAOYSA-N 2 1 340.471 2.287 40 0 EEABMP c1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccncc4)CC3)C2)nc1 ZINC000096048963 463153391 /nfs/dbraw/zinc/15/33/91/463153391.db2.gz LCPVNXOQXCEGRF-UHFFFAOYSA-N 2 1 338.455 2.344 40 0 EEABMP c1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccncc4)CC3)C2)nc1 ZINC000096048963 463153397 /nfs/dbraw/zinc/15/33/97/463153397.db2.gz LCPVNXOQXCEGRF-UHFFFAOYSA-N 2 1 338.455 2.344 40 0 EEABMP CC(C)[N@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1ccncc1)C2 ZINC000096051996 463155507 /nfs/dbraw/zinc/15/55/07/463155507.db2.gz RFTJGMYKMQFISP-MOPGFXCFSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[N@@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1ccncc1)C2 ZINC000096051996 463155508 /nfs/dbraw/zinc/15/55/08/463155508.db2.gz RFTJGMYKMQFISP-MOPGFXCFSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccncc1)C2 ZINC000096051996 463155510 /nfs/dbraw/zinc/15/55/10/463155510.db2.gz RFTJGMYKMQFISP-MOPGFXCFSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096051996 463155512 /nfs/dbraw/zinc/15/55/12/463155512.db2.gz RFTJGMYKMQFISP-MOPGFXCFSA-N 2 1 333.476 2.029 40 0 EEABMP COc1ccc(C[N@H+]2CC[C@@H]3O[C@@H](COCC[NH+](C)C)CC[C@@H]32)cc1 ZINC000096186674 463198881 /nfs/dbraw/zinc/19/88/81/463198881.db2.gz JWRXWRIUDSWRKE-AABGKKOBSA-N 2 1 348.487 2.395 40 0 EEABMP c1coc(C[NH+]2CCC3(CC2)COCC[N@@H+](CCN2CCCC2)C3)c1 ZINC000096239870 218713018 /nfs/dbraw/zinc/71/30/18/218713018.db2.gz AUUWSYRKNFOMAP-UHFFFAOYSA-N 2 1 347.503 2.290 40 0 EEABMP c1coc(C[NH+]2CCC3(CC2)COCC[N@H+](CCN2CCCC2)C3)c1 ZINC000096239870 218713020 /nfs/dbraw/zinc/71/30/20/218713020.db2.gz AUUWSYRKNFOMAP-UHFFFAOYSA-N 2 1 347.503 2.290 40 0 EEABMP COCC[NH+]1CCC2(C[C@@H](COC)[N@H+](Cc3nccs3)C2)CC1 ZINC000096240344 285014152 /nfs/dbraw/zinc/01/41/52/285014152.db2.gz GUJUVFUOFJRFFR-HNNXBMFYSA-N 2 1 339.505 2.092 40 0 EEABMP COCC[NH+]1CCC2(C[C@@H](COC)[N@@H+](Cc3nccs3)C2)CC1 ZINC000096240344 285014153 /nfs/dbraw/zinc/01/41/53/285014153.db2.gz GUJUVFUOFJRFFR-HNNXBMFYSA-N 2 1 339.505 2.092 40 0 EEABMP c1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)co1 ZINC000096055175 463155730 /nfs/dbraw/zinc/15/57/30/463155730.db2.gz VGURXXCSLHWVNS-RTBURBONSA-N 2 1 327.428 2.398 40 0 EEABMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)co1 ZINC000096055175 463155733 /nfs/dbraw/zinc/15/57/33/463155733.db2.gz VGURXXCSLHWVNS-RTBURBONSA-N 2 1 327.428 2.398 40 0 EEABMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)co1 ZINC000096055175 463155738 /nfs/dbraw/zinc/15/57/38/463155738.db2.gz VGURXXCSLHWVNS-RTBURBONSA-N 2 1 327.428 2.398 40 0 EEABMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)co1 ZINC000096055175 463155742 /nfs/dbraw/zinc/15/57/42/463155742.db2.gz VGURXXCSLHWVNS-RTBURBONSA-N 2 1 327.428 2.398 40 0 EEABMP C[NH+](C)Cc1cccc(-c2cccnc2C(=O)N2CC[NH+](C)CC2)c1 ZINC000257320390 463776760 /nfs/dbraw/zinc/77/67/60/463776760.db2.gz VWPHSXPDZBIHLU-UHFFFAOYSA-N 2 1 338.455 2.198 40 0 EEABMP c1coc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096055160 463157080 /nfs/dbraw/zinc/15/70/80/463157080.db2.gz WDMXKZXBEUZALZ-IEBWSBKVSA-N 2 1 327.428 2.398 40 0 EEABMP c1coc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096055160 463157085 /nfs/dbraw/zinc/15/70/85/463157085.db2.gz WDMXKZXBEUZALZ-IEBWSBKVSA-N 2 1 327.428 2.398 40 0 EEABMP c1coc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096055160 463157090 /nfs/dbraw/zinc/15/70/90/463157090.db2.gz WDMXKZXBEUZALZ-IEBWSBKVSA-N 2 1 327.428 2.398 40 0 EEABMP C[N@@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](C1CCOCC1)CC2 ZINC000096220908 463218121 /nfs/dbraw/zinc/21/81/21/463218121.db2.gz OYCVAVGIFQBDGV-LJQANCHMSA-N 2 1 345.487 2.316 40 0 EEABMP COc1ccccc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093142931 534078655 /nfs/dbraw/zinc/07/86/55/534078655.db2.gz IUWZKYWJYUSRHO-UHFFFAOYSA-N 2 1 345.487 2.071 40 0 EEABMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1ccsc1)CC2 ZINC000096196644 463202059 /nfs/dbraw/zinc/20/20/59/463202059.db2.gz ISZYQUVJGURXGI-UHFFFAOYSA-N 2 1 331.485 2.072 40 0 EEABMP Cc1noc(C)c1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC000096196854 463203314 /nfs/dbraw/zinc/20/33/14/463203314.db2.gz GRAMVUDMXUULGD-UHFFFAOYSA-N 2 1 329.448 2.142 40 0 EEABMP Cc1noc(C)c1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC000096196854 463203318 /nfs/dbraw/zinc/20/33/18/463203318.db2.gz GRAMVUDMXUULGD-UHFFFAOYSA-N 2 1 329.448 2.142 40 0 EEABMP Cc1ccc(C[N@H+]2C[C@H]3CN(CC[NH+]4CCCC4)C(=O)[C@H]3C2)s1 ZINC000096245054 463225518 /nfs/dbraw/zinc/22/55/18/463225518.db2.gz SVCSQVXACPZSTD-RDJZCZTQSA-N 2 1 333.501 2.043 40 0 EEABMP C[N@H+](Cc1ccccn1)[C@@H]1CO[C@]2(CC[NH+](Cc3ccncc3)C2)C1 ZINC000096219892 463217441 /nfs/dbraw/zinc/21/74/41/463217441.db2.gz NPCSWIDYDJIEDJ-VQTJNVASSA-N 2 1 338.455 2.342 40 0 EEABMP C[N@@H+](Cc1ccccn1)[C@@H]1CO[C@]2(CC[NH+](Cc3ccncc3)C2)C1 ZINC000096219892 463217447 /nfs/dbraw/zinc/21/74/47/463217447.db2.gz NPCSWIDYDJIEDJ-VQTJNVASSA-N 2 1 338.455 2.342 40 0 EEABMP C[NH+](Cc1ccccn1)[C@@H]1CO[C@]2(CC[N@H+](Cc3ccncc3)C2)C1 ZINC000096219892 463217454 /nfs/dbraw/zinc/21/74/54/463217454.db2.gz NPCSWIDYDJIEDJ-VQTJNVASSA-N 2 1 338.455 2.342 40 0 EEABMP C[NH+](Cc1ccccn1)[C@@H]1CO[C@]2(CC[N@@H+](Cc3ccncc3)C2)C1 ZINC000096219892 463217458 /nfs/dbraw/zinc/21/74/58/463217458.db2.gz NPCSWIDYDJIEDJ-VQTJNVASSA-N 2 1 338.455 2.342 40 0 EEABMP C[NH+]1CCN(CCC[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000097235632 219002198 /nfs/dbraw/zinc/00/21/98/219002198.db2.gz WIDMVUXUAXBYQQ-GOSISDBHSA-N 2 1 337.895 2.431 40 0 EEABMP CC(C)[N@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1ccccn1)C2 ZINC000096051992 463154415 /nfs/dbraw/zinc/15/44/15/463154415.db2.gz ZDEYKZYGZUELCP-MJGOQNOKSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[N@@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1ccccn1)C2 ZINC000096051992 463154423 /nfs/dbraw/zinc/15/44/23/463154423.db2.gz ZDEYKZYGZUELCP-MJGOQNOKSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096051992 463154427 /nfs/dbraw/zinc/15/44/27/463154427.db2.gz ZDEYKZYGZUELCP-MJGOQNOKSA-N 2 1 333.476 2.029 40 0 EEABMP CC(C)[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096051992 463154436 /nfs/dbraw/zinc/15/44/36/463154436.db2.gz ZDEYKZYGZUELCP-MJGOQNOKSA-N 2 1 333.476 2.029 40 0 EEABMP OC[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C1 ZINC000013266554 462888733 /nfs/dbraw/zinc/88/87/33/462888733.db2.gz VSHOGFAZZDQOBZ-AWEZNQCLSA-N 2 1 328.460 2.234 40 0 EEABMP OC[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C1 ZINC000013266553 462889555 /nfs/dbraw/zinc/88/95/55/462889555.db2.gz VSHOGFAZZDQOBZ-CQSZACIVSA-N 2 1 328.460 2.234 40 0 EEABMP [NH2+]=C(NCc1ccccc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000057752189 463515331 /nfs/dbraw/zinc/51/53/31/463515331.db2.gz XEGCWTFCOQSPKL-UHFFFAOYSA-N 2 1 338.455 2.333 40 0 EEABMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000195560653 464077878 /nfs/dbraw/zinc/07/78/78/464077878.db2.gz UFCDWAOWOVJUHS-QUCCMNQESA-N 2 1 331.504 2.300 40 0 EEABMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000195560653 464077882 /nfs/dbraw/zinc/07/78/82/464077882.db2.gz UFCDWAOWOVJUHS-QUCCMNQESA-N 2 1 331.504 2.300 40 0 EEABMP C[N@H+](Cc1ccccn1)[C@H]1CO[C@]2(CC[NH+](Cc3ccncc3)C2)C1 ZINC000096219889 463218035 /nfs/dbraw/zinc/21/80/35/463218035.db2.gz NPCSWIDYDJIEDJ-WOJBJXKFSA-N 2 1 338.455 2.342 40 0 EEABMP C[N@@H+](Cc1ccccn1)[C@H]1CO[C@]2(CC[NH+](Cc3ccncc3)C2)C1 ZINC000096219889 463218040 /nfs/dbraw/zinc/21/80/40/463218040.db2.gz NPCSWIDYDJIEDJ-WOJBJXKFSA-N 2 1 338.455 2.342 40 0 EEABMP C[NH+](Cc1ccccn1)[C@H]1CO[C@]2(CC[N@H+](Cc3ccncc3)C2)C1 ZINC000096219889 463218043 /nfs/dbraw/zinc/21/80/43/463218043.db2.gz NPCSWIDYDJIEDJ-WOJBJXKFSA-N 2 1 338.455 2.342 40 0 EEABMP C[NH+](Cc1ccccn1)[C@H]1CO[C@]2(CC[N@@H+](Cc3ccncc3)C2)C1 ZINC000096219889 463218045 /nfs/dbraw/zinc/21/80/45/463218045.db2.gz NPCSWIDYDJIEDJ-WOJBJXKFSA-N 2 1 338.455 2.342 40 0 EEABMP CN(C)CC[N@@H+]1CCOCC2(CC[NH+](Cc3cccs3)CC2)C1 ZINC000096239844 463224303 /nfs/dbraw/zinc/22/43/03/463224303.db2.gz NITIJIWQNYSTIV-UHFFFAOYSA-N 2 1 337.533 2.224 40 0 EEABMP CN(C)CC[N@H+]1CCOCC2(CC[NH+](Cc3cccs3)CC2)C1 ZINC000096239844 463224306 /nfs/dbraw/zinc/22/43/06/463224306.db2.gz NITIJIWQNYSTIV-UHFFFAOYSA-N 2 1 337.533 2.224 40 0 EEABMP CC[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@]1(O)CCC[NH+](CC)C1 ZINC000040714641 213372735 /nfs/dbraw/zinc/37/27/35/213372735.db2.gz UUXAZPBWOQOBIM-LJQANCHMSA-N 2 1 334.460 2.127 40 0 EEABMP CC[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@]1(O)CCC[NH+](CC)C1 ZINC000040714641 213372738 /nfs/dbraw/zinc/37/27/38/213372738.db2.gz UUXAZPBWOQOBIM-LJQANCHMSA-N 2 1 334.460 2.127 40 0 EEABMP CC[NH+](Cc1ccc2c(c1)OCCO2)C[C@@]1(O)CCC[N@H+](CC)C1 ZINC000040714641 213372740 /nfs/dbraw/zinc/37/27/40/213372740.db2.gz UUXAZPBWOQOBIM-LJQANCHMSA-N 2 1 334.460 2.127 40 0 EEABMP CC[NH+](Cc1ccc2c(c1)OCCO2)C[C@@]1(O)CCC[N@@H+](CC)C1 ZINC000040714641 213372743 /nfs/dbraw/zinc/37/27/43/213372743.db2.gz UUXAZPBWOQOBIM-LJQANCHMSA-N 2 1 334.460 2.127 40 0 EEABMP CNc1cc(C)[nH+]c([C@H]2CN(C(=O)C[N@@H+](C)C3CCCC3)CCO2)c1 ZINC000257332812 463781085 /nfs/dbraw/zinc/78/10/85/463781085.db2.gz XYUCVWVOIGMSLT-GOSISDBHSA-N 2 1 346.475 2.206 40 0 EEABMP