smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000177980153 822268140 /nfs/dbraw/zinc/26/81/40/822268140.db2.gz VEYSHILNWBNEOE-LJQANCHMSA-N 2 0 399.554 4.353 20 10 GICDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185362620 822771923 /nfs/dbraw/zinc/77/19/23/822771923.db2.gz ZQIWBUPFKIBJFO-ZWKOTPCHSA-N 2 0 385.527 4.393 20 10 GICDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(N2CCCCC2)cc1 ZINC000182266839 822178119 /nfs/dbraw/zinc/17/81/19/822178119.db2.gz JNMJPWWDYVIKIV-NLFFAJNJSA-N 2 0 393.575 4.094 20 10 GICDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185362679 822771887 /nfs/dbraw/zinc/77/18/87/822771887.db2.gz ZQIWBUPFKIBJFO-MSOLQXFVSA-N 2 0 385.527 4.393 20 10 GICDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185362767 822771905 /nfs/dbraw/zinc/77/19/05/822771905.db2.gz FSSKYKTUFRMICR-HZPDHXFCSA-N 2 0 389.490 4.224 20 10 GICDRP Cc1ccc(O)c([C@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000185645595 822806261 /nfs/dbraw/zinc/80/62/61/822806261.db2.gz PBLDHWJCNLEVFX-FQEVSTJZSA-N 2 0 382.548 4.423 20 10 GICDRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1O ZINC000185646013 822806286 /nfs/dbraw/zinc/80/62/86/822806286.db2.gz OAIPCDHXIOXKEK-SFHVURJKSA-N 2 0 386.511 4.253 20 10 GICDRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cc2c(cc1O)CCCC2 ZINC000185651702 822806812 /nfs/dbraw/zinc/80/68/12/822806812.db2.gz BISKMNNTXOJZRQ-GOSISDBHSA-N 2 0 394.559 4.079 20 10 GICDRP C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126690943 823928140 /nfs/dbraw/zinc/92/81/40/823928140.db2.gz ZGBAFGVXGFCUHL-ZWKOTPCHSA-N 2 0 384.543 4.055 20 10 GICDRP Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c(O)c1 ZINC000185332023 822767389 /nfs/dbraw/zinc/76/73/89/822767389.db2.gz ZDVUWWOGNDASTQ-IBGZPJMESA-N 2 0 398.547 4.041 20 10 GICDRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc2c(cc1O)CCCC2 ZINC000185372350 822774023 /nfs/dbraw/zinc/77/40/23/822774023.db2.gz UXYVSXPMZSCOSJ-GOSISDBHSA-N 2 0 394.559 4.079 20 10 GICDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc4nc(C)ccc4c3)cc2F)CC1 ZINC000189327643 823394943 /nfs/dbraw/zinc/39/49/43/823394943.db2.gz DDQAJFMUSYQMJZ-UHFFFAOYSA-N 2 0 392.522 4.114 20 10 GICDRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000179511283 822493660 /nfs/dbraw/zinc/49/36/60/822493660.db2.gz FSVNFGSXXAWHDO-HXUWFJFHSA-N 2 0 396.579 4.253 20 10 GICDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc2c(cc1O)CCCC2 ZINC000186519826 822907846 /nfs/dbraw/zinc/90/78/46/822907846.db2.gz IEYCOKSSMUTSKW-WZONZLPQSA-N 2 0 394.559 4.079 20 10 GICDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185362788 822771899 /nfs/dbraw/zinc/77/18/99/822771899.db2.gz FSSKYKTUFRMICR-JKSUJKDBSA-N 2 0 389.490 4.224 20 10 GICDRP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000185544386 822795200 /nfs/dbraw/zinc/79/52/00/822795200.db2.gz UHPSHZUJTYGMFP-KRWDZBQOSA-N 2 0 380.488 4.477 20 10 GICDRP COc1ccc(O)c([C@@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000185645716 822806257 /nfs/dbraw/zinc/80/62/57/822806257.db2.gz AZUXWZAFBMHGIU-LJQANCHMSA-N 2 0 398.547 4.123 20 10 GICDRP Cc1ccc([C@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC000185645830 822806270 /nfs/dbraw/zinc/80/62/70/822806270.db2.gz CGCSEQBGHFGNAI-FQEVSTJZSA-N 2 0 382.548 4.423 20 10 GICDRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cc2c(cc1O)CCCC2 ZINC000185651683 822806908 /nfs/dbraw/zinc/80/69/08/822806908.db2.gz BISKMNNTXOJZRQ-SFHVURJKSA-N 2 0 394.559 4.079 20 10 GICDRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000163919599 823760970 /nfs/dbraw/zinc/76/09/70/823760970.db2.gz WWLKLIFKIVESTQ-OAQYLSRUSA-N 2 0 393.575 4.360 20 10 GICDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2ccccc2c1O ZINC000186519758 822907691 /nfs/dbraw/zinc/90/76/91/822907691.db2.gz RNWORERSTKQEJL-PGRDOPGGSA-N 2 0 390.527 4.353 20 10 GICDRP CCN(CC)c1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000177562660 823491812 /nfs/dbraw/zinc/49/18/12/823491812.db2.gz CVJLHSKOGSEJJM-UHFFFAOYSA-N 2 0 394.607 4.353 20 10 GICDRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000181663589 821930403 /nfs/dbraw/zinc/93/04/03/821930403.db2.gz AJTKWXVIOQELCS-CKQIISDPSA-N 2 0 399.623 4.341 20 10 GICDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185362469 822771917 /nfs/dbraw/zinc/77/19/17/822771917.db2.gz CDAVZMKMDXDMFO-ROUUACIJSA-N 2 0 385.527 4.393 20 10 GICDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000181417638 821815696 /nfs/dbraw/zinc/81/56/96/821815696.db2.gz SFWRZARRDCGJQT-OPXMRZJTSA-N 2 0 399.623 4.486 20 10 GICDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc4ccccc4n3)cc2F)CC1 ZINC000177972391 822263959 /nfs/dbraw/zinc/26/39/59/822263959.db2.gz HVSXNIYBJABAST-GOSISDBHSA-N 2 0 392.522 4.367 20 10 GICDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000177980137 822267965 /nfs/dbraw/zinc/26/79/65/822267965.db2.gz VEYSHILNWBNEOE-IBGZPJMESA-N 2 0 399.554 4.353 20 10 GICDRP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc2ccccc2c1O ZINC000185084902 822734732 /nfs/dbraw/zinc/73/47/32/822734732.db2.gz BUUAECFVBQTMHT-LJQANCHMSA-N 2 0 389.543 4.144 20 10 GICDRP C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163577261 823724136 /nfs/dbraw/zinc/72/41/36/823724136.db2.gz UVAGNLHEKUEUIY-IBGZPJMESA-N 2 0 399.604 4.031 20 10 GICDRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(N(C)C)cc1 ZINC000124596722 823609602 /nfs/dbraw/zinc/60/96/02/823609602.db2.gz HKWQVYAFTDOKFH-ZCNNSNEGSA-N 2 0 381.564 4.213 20 10 GICDRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2ccccc2c1O ZINC000185651638 822806819 /nfs/dbraw/zinc/80/68/19/822806819.db2.gz VNISKVODXXNJGF-SFHVURJKSA-N 2 0 390.527 4.353 20 10 GICDRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000123016534 823448547 /nfs/dbraw/zinc/44/85/47/823448547.db2.gz PIFHGXNMVDPTKG-LJQANCHMSA-N 2 0 397.538 4.109 20 10 GICDRP COc1ccc(N2CCC([NH2+]CC3CC[NH+](Cc4cccs4)CC3)CC2)cc1 ZINC000125481117 823679707 /nfs/dbraw/zinc/67/97/07/823679707.db2.gz PWCXJQKDTPWPHJ-UHFFFAOYSA-N 2 0 399.604 4.227 20 10 GICDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163765671 823746522 /nfs/dbraw/zinc/74/65/22/823746522.db2.gz IKBODDSSTCMKOO-LJQANCHMSA-N 2 0 399.554 4.355 20 10 GICDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185362661 822771871 /nfs/dbraw/zinc/77/18/71/822771871.db2.gz ZQIWBUPFKIBJFO-QZTJIDSGSA-N 2 0 385.527 4.393 20 10 GICDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163765543 823746536 /nfs/dbraw/zinc/74/65/36/823746536.db2.gz IKBODDSSTCMKOO-IBGZPJMESA-N 2 0 399.554 4.355 20 10 GICDRP Cc1cc(O)c(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000176984927 823342627 /nfs/dbraw/zinc/34/26/27/823342627.db2.gz NLXSKQYHVGZHDN-UHFFFAOYSA-N 2 0 382.548 4.170 20 10 GICDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185362451 822771979 /nfs/dbraw/zinc/77/19/79/822771979.db2.gz CDAVZMKMDXDMFO-MSOLQXFVSA-N 2 0 385.527 4.393 20 10 GICDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000181417599 821815511 /nfs/dbraw/zinc/81/55/11/821815511.db2.gz SFWRZARRDCGJQT-AMDXRBSFSA-N 2 0 399.623 4.486 20 10 GICDRP Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000185331918 822767312 /nfs/dbraw/zinc/76/73/12/822767312.db2.gz LHAJNOJEQXMXTO-LJQANCHMSA-N 2 0 398.547 4.041 20 10 GICDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185362508 822771950 /nfs/dbraw/zinc/77/19/50/822771950.db2.gz CDAVZMKMDXDMFO-ZWKOTPCHSA-N 2 0 385.527 4.393 20 10 GICDRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1O ZINC000185646029 822806234 /nfs/dbraw/zinc/80/62/34/822806234.db2.gz OAIPCDHXIOXKEK-GOSISDBHSA-N 2 0 386.511 4.253 20 10 GICDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(N2CCCCC2)cc1 ZINC000182266819 822178001 /nfs/dbraw/zinc/17/80/01/822178001.db2.gz JNMJPWWDYVIKIV-CPJSRVTESA-N 2 0 393.575 4.094 20 10 GICDRP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc2ccccc2c1O ZINC000185084882 822734807 /nfs/dbraw/zinc/73/48/07/822734807.db2.gz BUUAECFVBQTMHT-IBGZPJMESA-N 2 0 389.543 4.144 20 10 GICDRP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c(O)c1 ZINC000185332008 822767321 /nfs/dbraw/zinc/76/73/21/822767321.db2.gz ZDVUWWOGNDASTQ-LJQANCHMSA-N 2 0 398.547 4.041 20 10 GICDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185362640 822771945 /nfs/dbraw/zinc/77/19/45/822771945.db2.gz ZQIWBUPFKIBJFO-ROUUACIJSA-N 2 0 385.527 4.393 20 10 GICDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185362488 822771850 /nfs/dbraw/zinc/77/18/50/822771850.db2.gz CDAVZMKMDXDMFO-QZTJIDSGSA-N 2 0 385.527 4.393 20 10 GICDRP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000126690465 823928226 /nfs/dbraw/zinc/92/82/26/823928226.db2.gz ZGBAFGVXGFCUHL-ROUUACIJSA-N 2 0 384.543 4.055 20 10 GICDRP C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000163597231 823727029 /nfs/dbraw/zinc/72/70/29/823727029.db2.gz PZFQXNMICLXUPH-LJQANCHMSA-N 2 0 399.604 4.031 20 10 GICDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2ccccc2c1O ZINC000186519777 822907732 /nfs/dbraw/zinc/90/77/32/822907732.db2.gz RNWORERSTKQEJL-XMSQKQJNSA-N 2 0 390.527 4.353 20 10 GICDRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000126690695 823928300 /nfs/dbraw/zinc/92/83/00/823928300.db2.gz ZGBAFGVXGFCUHL-MSOLQXFVSA-N 2 0 384.543 4.055 20 10 GICDRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(N2CCCCC2)cc1 ZINC000122271103 823330774 /nfs/dbraw/zinc/33/07/74/823330774.db2.gz GNEKBAPRAHIQMZ-HXUWFJFHSA-N 2 0 381.564 4.468 20 10 GICDRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000123016341 823448569 /nfs/dbraw/zinc/44/85/69/823448569.db2.gz PIFHGXNMVDPTKG-IBGZPJMESA-N 2 0 397.538 4.109 20 10 GICDRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(N2CCC(O)CC2)cc1 ZINC000181663567 821930559 /nfs/dbraw/zinc/93/05/59/821930559.db2.gz AJTKWXVIOQELCS-INVBSJAUSA-N 2 0 399.623 4.341 20 10 GICDRP CCOc1ccc(O)c(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000174450219 822791227 /nfs/dbraw/zinc/79/12/27/822791227.db2.gz DKLVPLHFMQDORU-UHFFFAOYSA-N 2 0 380.488 4.306 20 10 GICDRP Oc1ccc2cc(Br)ccc2c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000023847499 818985965 /nfs/dbraw/zinc/98/59/65/818985965.db2.gz OVDHSFZCTRQNCV-UHFFFAOYSA-N 2 0 398.304 4.025 20 10 GICDRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000123614434 823525902 /nfs/dbraw/zinc/52/59/02/823525902.db2.gz AFKIYCUUECOOMI-QGZVFWFLSA-N 2 0 387.955 4.089 20 10 GICDRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000178070653 822308656 /nfs/dbraw/zinc/30/86/56/822308656.db2.gz HPGDTRVJRPRPGZ-QGZVFWFLSA-N 2 0 381.511 4.109 20 10 GICDRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000179511278 822493612 /nfs/dbraw/zinc/49/36/12/822493612.db2.gz FSVNFGSXXAWHDO-FQEVSTJZSA-N 2 0 396.579 4.253 20 10 GICDRP COc1ccc(O)c([C@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000185645699 822806179 /nfs/dbraw/zinc/80/61/79/822806179.db2.gz AZUXWZAFBMHGIU-IBGZPJMESA-N 2 0 398.547 4.123 20 10 GICDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000163548972 823720341 /nfs/dbraw/zinc/72/03/41/823720341.db2.gz JQPBLYDHFQSOMY-IBGZPJMESA-N 2 0 399.554 4.355 20 10 GICDRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(N2CCCCC2)cc1 ZINC000122270889 823330690 /nfs/dbraw/zinc/33/06/90/823330690.db2.gz GNEKBAPRAHIQMZ-FQEVSTJZSA-N 2 0 381.564 4.468 20 10 GICDRP c1cnc2ccc(C[NH2+]Cc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)cc2c1 ZINC000125507703 823681562 /nfs/dbraw/zinc/68/15/62/823681562.db2.gz QCDWJEXQRRFNME-UHFFFAOYSA-N 2 0 386.543 4.057 20 10 GICDRP C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163577357 823724049 /nfs/dbraw/zinc/72/40/49/823724049.db2.gz UVAGNLHEKUEUIY-LJQANCHMSA-N 2 0 399.604 4.031 20 10 GICDRP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000126691182 823928109 /nfs/dbraw/zinc/92/81/09/823928109.db2.gz ZGBAFGVXGFCUHL-QZTJIDSGSA-N 2 0 384.543 4.055 20 10 GICDRP Oc1ccc(Cl)cc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176984828 823342383 /nfs/dbraw/zinc/34/23/83/823342383.db2.gz OSYVDIWWLGKXLD-UHFFFAOYSA-N 2 0 388.939 4.207 20 10 GICDRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc2c(cc1O)CCCC2 ZINC000185372328 822773832 /nfs/dbraw/zinc/77/38/32/822773832.db2.gz UXYVSXPMZSCOSJ-SFHVURJKSA-N 2 0 394.559 4.079 20 10 GICDRP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000185544407 822795138 /nfs/dbraw/zinc/79/51/38/822795138.db2.gz UHPSHZUJTYGMFP-QGZVFWFLSA-N 2 0 380.488 4.477 20 10 GICDRP Cc1ccc([C@@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC000185645814 822806211 /nfs/dbraw/zinc/80/62/11/822806211.db2.gz CGCSEQBGHFGNAI-HXUWFJFHSA-N 2 0 382.548 4.423 20 10 GICDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000163563357 823722309 /nfs/dbraw/zinc/72/23/09/823722309.db2.gz IFXHCCUBODOQTF-IBGZPJMESA-N 2 0 399.554 4.355 20 10 GICDRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000178070666 822308763 /nfs/dbraw/zinc/30/87/63/822308763.db2.gz HPGDTRVJRPRPGZ-KRWDZBQOSA-N 2 0 381.511 4.109 20 10 GICDRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc2ccccc2c1O ZINC000185573485 822798030 /nfs/dbraw/zinc/79/80/30/822798030.db2.gz PDQKPKWSYWIPJM-LJQANCHMSA-N 2 0 381.564 4.146 20 10 GICDRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc2ccccc2c1O ZINC000185573465 822798050 /nfs/dbraw/zinc/79/80/50/822798050.db2.gz PDQKPKWSYWIPJM-IBGZPJMESA-N 2 0 381.564 4.146 20 10 GICDRP Cc1ccc(O)c([C@@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000185645576 822806160 /nfs/dbraw/zinc/80/61/60/822806160.db2.gz PBLDHWJCNLEVFX-HXUWFJFHSA-N 2 0 382.548 4.423 20 10 GICDRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2ccccc2c1O ZINC000185651658 822806920 /nfs/dbraw/zinc/80/69/20/822806920.db2.gz VNISKVODXXNJGF-GOSISDBHSA-N 2 0 390.527 4.353 20 10 GICDRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2ccccc2c1O ZINC000185372281 822773813 /nfs/dbraw/zinc/77/38/13/822773813.db2.gz MTPGDMMNFMNXCO-SFHVURJKSA-N 2 0 390.527 4.353 20 10 GICDRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(N(C)C)cc1 ZINC000124597155 823609788 /nfs/dbraw/zinc/60/97/88/823609788.db2.gz HKWQVYAFTDOKFH-AQNXPRMDSA-N 2 0 381.564 4.213 20 10 GICDRP Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000185331937 822767407 /nfs/dbraw/zinc/76/74/07/822767407.db2.gz LHAJNOJEQXMXTO-IBGZPJMESA-N 2 0 398.547 4.041 20 10 GICDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000163563464 823722403 /nfs/dbraw/zinc/72/24/03/823722403.db2.gz IFXHCCUBODOQTF-LJQANCHMSA-N 2 0 399.554 4.355 20 10 GICDRP C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000163597108 823727209 /nfs/dbraw/zinc/72/72/09/823727209.db2.gz PZFQXNMICLXUPH-IBGZPJMESA-N 2 0 399.604 4.031 20 10 GICDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc4ccccc4n3)cc2F)CC1 ZINC000177972371 822264219 /nfs/dbraw/zinc/26/42/19/822264219.db2.gz HVSXNIYBJABAST-SFHVURJKSA-N 2 0 392.522 4.367 20 10 GICDRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2ccccc2c1O ZINC000185372299 822773808 /nfs/dbraw/zinc/77/38/08/822773808.db2.gz MTPGDMMNFMNXCO-GOSISDBHSA-N 2 0 390.527 4.353 20 10 GICDRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000163919519 823761041 /nfs/dbraw/zinc/76/10/41/823761041.db2.gz WWLKLIFKIVESTQ-NRFANRHFSA-N 2 0 393.575 4.360 20 10 GICDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185362729 822771935 /nfs/dbraw/zinc/77/19/35/822771935.db2.gz FSSKYKTUFRMICR-CVEARBPZSA-N 2 0 389.490 4.224 20 10 GICDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000163549046 823720519 /nfs/dbraw/zinc/72/05/19/823720519.db2.gz JQPBLYDHFQSOMY-LJQANCHMSA-N 2 0 399.554 4.355 20 10 GICDRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000123614181 823525918 /nfs/dbraw/zinc/52/59/18/823525918.db2.gz AFKIYCUUECOOMI-KRWDZBQOSA-N 2 0 387.955 4.089 20 10 GICDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185362749 822771960 /nfs/dbraw/zinc/77/19/60/822771960.db2.gz FSSKYKTUFRMICR-HOTGVXAUSA-N 2 0 389.490 4.224 20 10 GICDRP CCOc1cccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c1O ZINC000174452190 822791777 /nfs/dbraw/zinc/79/17/77/822791777.db2.gz FPBSGBYVQQIIBL-UHFFFAOYSA-N 2 0 380.488 4.306 20 10 GICDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc2c(cc1O)CCCC2 ZINC000186519806 822907864 /nfs/dbraw/zinc/90/78/64/822907864.db2.gz IEYCOKSSMUTSKW-FDDCHVKYSA-N 2 0 394.559 4.079 20 10 GICDRP