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)[NH2+]Cc1sc(-c2ccc(Cl)cc2)nc1C1CC1 ZINC000082435531 185182139 /nfs/dbraw/zinc/18/21/39/185182139.db2.gz JFCYMASHBPTXRC-UHFFFAOYSA-N 1 0 306.862 4.839 10 0 DJAERO CCC[NH2+]Cc1sc(CSCCC)nc1C(C)(C)C ZINC000082439772 185182847 /nfs/dbraw/zinc/18/28/47/185182847.db2.gz MJENGRRFFXEGDG-UHFFFAOYSA-N 1 0 300.537 4.583 10 0 DJAERO CC(C)[NH2+]Cc1sc(CSC(C)C)nc1C(C)(C)C ZINC000082439725 185182933 /nfs/dbraw/zinc/18/29/33/185182933.db2.gz IJELUNXUKRURDK-UHFFFAOYSA-N 1 0 300.537 4.580 10 0 DJAERO CCOc1ccc(Cl)cc1[C@@H](C[NH+]1CCCC1)[C@H](C)CC ZINC000003627990 181042900 /nfs/dbraw/zinc/04/29/00/181042900.db2.gz KFCXWGVCTPCYRF-PBHICJAKSA-N 1 0 309.881 4.964 10 0 DJAERO CCOc1ccc(Cl)cc1[C@H](C[NH+]1CCCC1)[C@H](C)CC ZINC000003627987 181043013 /nfs/dbraw/zinc/04/30/13/181043013.db2.gz KFCXWGVCTPCYRF-RHSMWYFYSA-N 1 0 309.881 4.964 10 0 DJAERO CC[C@H](CO)[n+]1c(C)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000005337421 181231000 /nfs/dbraw/zinc/23/10/00/181231000.db2.gz CMNVEPYVGFIWPC-OAQYLSRUSA-N 1 0 318.440 4.560 10 0 DJAERO CCCCC[C@@H](C(=O)OCCC[NH+](CC)CC)c1ccccc1 ZINC000005513437 181252019 /nfs/dbraw/zinc/25/20/19/181252019.db2.gz LLFBJCUVGCPARA-LJQANCHMSA-N 1 0 319.489 4.626 10 0 DJAERO C[NH+](C)[C@@H]1C[C@@H](c2ccc(Br)cc2)c2ccccc21 ZINC000005965157 181301685 /nfs/dbraw/zinc/30/16/85/181301685.db2.gz FAVRAXVBHORDCR-DLBZAZTESA-N 1 0 316.242 4.587 10 0 DJAERO O[C@@](CCC[NH+]1CCCCC1)(c1ccccc1)C1CCCCC1 ZINC000006116320 181313243 /nfs/dbraw/zinc/31/32/43/181313243.db2.gz ILHSFCNKNNNPRN-NRFANRHFSA-N 1 0 315.501 4.721 10 0 in-vitro DJAERO C[C@@H]([NH3+])c1cc(F)ccc1Sc1nc2ccccc2s1 ZINC000019230376 182108968 /nfs/dbraw/zinc/10/89/68/182108968.db2.gz HVYSGBBINOSTHS-SECBINFHSA-N 1 0 304.415 4.606 10 0 DJAERO [NH3+][C@@H](c1ccc(Br)cc1)c1cccc2ccccc21 ZINC000019508849 182126600 /nfs/dbraw/zinc/12/66/00/182126600.db2.gz RXEHNRHAGDIBJX-KRWDZBQOSA-N 1 0 312.210 4.650 10 0 DJAERO CC(C)(C)c1cccc(O[C@@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000019671035 182135454 /nfs/dbraw/zinc/13/54/54/182135454.db2.gz NEYPVLNICSAFLU-KRWDZBQOSA-N 1 0 303.833 4.716 10 0 DJAERO CC(C)(C)c1cccc(O[C@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000019671037 182134900 /nfs/dbraw/zinc/13/49/00/182134900.db2.gz NEYPVLNICSAFLU-QGZVFWFLSA-N 1 0 303.833 4.716 10 0 DJAERO CC[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000019943879 182168600 /nfs/dbraw/zinc/16/86/00/182168600.db2.gz NVLVICHWFSUMRJ-INIZCTEOSA-N 1 0 322.221 4.829 10 0 DJAERO CC[C@@H]([NH2+]CCc1cccs1)c1ccc(Br)cc1 ZINC000019949151 182169327 /nfs/dbraw/zinc/16/93/27/182169327.db2.gz VHKANSULEILQAI-OAHLLOKOSA-N 1 0 324.287 4.794 10 0 DJAERO Cc1cc(C)c([C@@H]([NH3+])c2cc(Br)ccc2F)c(C)c1 ZINC000019968708 182171675 /nfs/dbraw/zinc/17/16/75/182171675.db2.gz KVYLTRYZVNXHIB-INIZCTEOSA-N 1 0 322.221 4.562 10 0 DJAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])CC(C)(C)C ZINC000019967886 182171740 /nfs/dbraw/zinc/17/17/40/182171740.db2.gz SRPFTKHKKAPUJH-NSHDSACASA-N 1 0 320.658 4.547 10 0 DJAERO COc1ccc(CC[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000020013758 182178040 /nfs/dbraw/zinc/17/80/40/182178040.db2.gz PPVGSIGNJXSJNI-LBPRGKRZSA-N 1 0 324.251 4.895 10 0 DJAERO CCCC[C@H](CC)C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000020024501 182180459 /nfs/dbraw/zinc/18/04/59/182180459.db2.gz ZSVHGZRTDPPBAW-ZDUSSCGKSA-N 1 0 303.368 4.891 10 0 DJAERO C[C@@H]([NH3+])c1c(F)cccc1Oc1ccc(Cl)cc1Cl ZINC000020009392 182176690 /nfs/dbraw/zinc/17/66/90/182176690.db2.gz WYSVLRGYOFHRAG-MRVPVSSYSA-N 1 0 300.160 4.945 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1Br ZINC000020129778 182189692 /nfs/dbraw/zinc/18/96/92/182189692.db2.gz XSSFXMSGTDWUKQ-YVEFUNNKSA-N 1 0 316.242 4.787 10 0 DJAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1Br ZINC000020129782 182190154 /nfs/dbraw/zinc/19/01/54/182190154.db2.gz XSSFXMSGTDWUKQ-SJCJKPOMSA-N 1 0 316.242 4.787 10 0 DJAERO Cc1ccc(Oc2ccccc2[C@@H](C)[NH3+])c(Br)c1 ZINC000020077938 182185582 /nfs/dbraw/zinc/18/55/82/182185582.db2.gz RUFWGTHGUZMSBG-LLVKDONJSA-N 1 0 306.203 4.570 10 0 DJAERO CCC[C@@H](C)[C@@H]([NH3+])c1cc(Cl)cc(Br)c1OC ZINC000020252193 182200340 /nfs/dbraw/zinc/20/03/40/182200340.db2.gz IBWUEEPOVJDNAN-PRHODGIISA-N 1 0 320.658 4.547 10 0 DJAERO CC[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc(Br)cc1 ZINC000020305581 182204960 /nfs/dbraw/zinc/20/49/60/182204960.db2.gz WZQXYTMJDCTZRK-MRXNPFEDSA-N 1 0 322.221 4.829 10 0 DJAERO [NH3+][C@@H](Cc1c(F)cccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000020425913 182215644 /nfs/dbraw/zinc/21/56/44/182215644.db2.gz NFMBQWCUQIUEMP-AWEZNQCLSA-N 1 0 317.713 4.740 10 0 DJAERO COc1ccc([C@H]([NH3+])c2c(Cl)cccc2Cl)cc1Cl ZINC000020521949 182226656 /nfs/dbraw/zinc/22/66/56/182226656.db2.gz XPRRFWKIUHTTAU-AWEZNQCLSA-N 1 0 316.615 4.704 10 0 DJAERO Cc1ccccc1[C@@H]([NH3+])c1cc2cc(Br)ccc2o1 ZINC000020592752 182235913 /nfs/dbraw/zinc/23/59/13/182235913.db2.gz FOPLNCKYNVIFHJ-MRXNPFEDSA-N 1 0 316.198 4.552 10 0 DJAERO COc1c(Cl)cc(C[NH2+][C@H](C)c2ccccc2)cc1Cl ZINC000020928284 182254497 /nfs/dbraw/zinc/25/44/97/182254497.db2.gz NTWJJYFYMOWMPJ-LLVKDONJSA-N 1 0 310.224 4.853 10 0 DJAERO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]C1CCCC1 ZINC000020930065 182254514 /nfs/dbraw/zinc/25/45/14/182254514.db2.gz NMJNRWICCQEUSY-UHFFFAOYSA-N 1 0 302.245 4.814 10 0 DJAERO CC(C)Cc1ccc([C@H]([NH3+])c2cccc(Br)c2)cc1 ZINC000021810608 182292204 /nfs/dbraw/zinc/29/22/04/182292204.db2.gz BFOPUBDJNZOPNG-KRWDZBQOSA-N 1 0 318.258 4.696 10 0 DJAERO CCC[NH+]1CCC(Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000022145802 182310601 /nfs/dbraw/zinc/31/06/01/182310601.db2.gz IXVJZDYFHZOUBY-UHFFFAOYSA-N 1 0 321.679 4.933 10 0 DJAERO C[C@@H](C[NH+](C)C)O[C@@](C)(c1ccccc1)c1ccc(Cl)cc1 ZINC000033827951 182723169 /nfs/dbraw/zinc/72/31/69/182723169.db2.gz WILANEPAIMJUCP-KXBFYZLASA-N 1 0 317.860 4.570 10 0 in-man DJAERO Cc1ccc2c(c1)c(-c1ccc(F)cc1)cn2C1CC[NH2+]CC1 ZINC000034161737 182730462 /nfs/dbraw/zinc/73/04/62/182730462.db2.gz BZZDBFKFQVEAMD-UHFFFAOYSA-N 1 0 308.400 4.680 10 0 DJAERO CCC[C@@H]([NH3+])c1ccc(-c2cccc(Br)c2)s1 ZINC000036927854 182853160 /nfs/dbraw/zinc/85/31/60/182853160.db2.gz VJVQMFRCKXWWEJ-GFCCVEGCSA-N 1 0 310.260 4.978 10 0 DJAERO CCOc1ccc(-c2cncc(C[N@@H+]3CCCC[C@@H]3C)c2)cc1 ZINC000037554220 182906697 /nfs/dbraw/zinc/90/66/97/182906697.db2.gz ABGVOULXCPSINF-INIZCTEOSA-N 1 0 310.441 4.522 10 0 DJAERO Clc1cccc(Cl)c1COc1ccc(C[NH2+]C2CC2)cc1 ZINC000040722767 183124522 /nfs/dbraw/zinc/12/45/22/183124522.db2.gz BWCPNXBBDKDTCI-UHFFFAOYSA-N 1 0 322.235 4.824 10 0 DJAERO CC(C)(C)[NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000040738931 183127361 /nfs/dbraw/zinc/12/73/61/183127361.db2.gz BKSGGPVWKSAGGI-UHFFFAOYSA-N 1 0 303.833 4.807 10 0 DJAERO CC(C)[NH2+]Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000041010121 183156005 /nfs/dbraw/zinc/15/60/05/183156005.db2.gz XEZCBOKGUDEGGX-UHFFFAOYSA-N 1 0 301.242 4.615 10 0 DJAERO CC(C)c1ccc(C[C@H](C[NH3+])Cc2ccccc2Cl)cc1 ZINC000041514769 183196128 /nfs/dbraw/zinc/19/61/28/183196128.db2.gz JTXHKIDLXYBWQC-INIZCTEOSA-N 1 0 301.861 4.824 10 0 DJAERO Clc1ccc(Cl)c(OCCC[NH2+]C2CCCCC2)c1 ZINC000041515114 183195803 /nfs/dbraw/zinc/19/58/03/183195803.db2.gz WEMOIBFFKFPYHP-UHFFFAOYSA-N 1 0 302.245 4.685 10 0 DJAERO Clc1cccc(Cl)c1OCC[NH2+]CC1CCCCC1 ZINC000041515102 183195879 /nfs/dbraw/zinc/19/58/79/183195879.db2.gz GDSDLLVGLLHIIR-UHFFFAOYSA-N 1 0 302.245 4.542 10 0 DJAERO CC[C@H](C)[C@H](C)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000042553504 183284117 /nfs/dbraw/zinc/28/41/17/183284117.db2.gz IBNGWNYNUJPZBX-AVHCAHFISA-N 1 0 310.279 4.719 10 0 DJAERO CC[C@@H](C)[C@@H](C)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000042553495 183284258 /nfs/dbraw/zinc/28/42/58/183284258.db2.gz IBNGWNYNUJPZBX-LGTQLRDQSA-N 1 0 310.279 4.719 10 0 DJAERO CC[C@@H]([NH2+]C1CC(c2ccccc2Br)C1)C(C)C ZINC000042585816 183288160 /nfs/dbraw/zinc/28/81/60/183288160.db2.gz QKVFQAUZQAAZAD-SEEARECTSA-N 1 0 310.279 4.719 10 0 DJAERO Cc1cccc(S[C@@H](C[NH3+])c2ccc(Br)cc2)c1 ZINC000042959781 183323562 /nfs/dbraw/zinc/32/35/62/183323562.db2.gz TZXIBUHKTIDYAX-HNNXBMFYSA-N 1 0 322.271 4.550 10 0 DJAERO CC[C@H]([NH3+])[C@@H](SCC(C)C)c1ccc(Br)cc1 ZINC000042959383 183323584 /nfs/dbraw/zinc/32/35/84/183323584.db2.gz FRJPRWGJHINGFO-KBPBESRZSA-N 1 0 316.308 4.617 10 0 DJAERO Cc1ccccc1S[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042959624 183323828 /nfs/dbraw/zinc/32/38/28/183323828.db2.gz UWBJQYUTDDEWER-HNNXBMFYSA-N 1 0 322.271 4.550 10 0 DJAERO Cc1cccc([C@@H](C[NH3+])Sc2ccc(Br)cc2)c1 ZINC000042970130 183324110 /nfs/dbraw/zinc/32/41/10/183324110.db2.gz ZQOZVVZPQAEORU-OAHLLOKOSA-N 1 0 322.271 4.550 10 0 DJAERO Cc1cccc([C@H](C[NH3+])Sc2ccccc2Br)c1 ZINC000042970120 183324122 /nfs/dbraw/zinc/32/41/22/183324122.db2.gz FIOZODLWMIBTIJ-HNNXBMFYSA-N 1 0 322.271 4.550 10 0 DJAERO [NH3+]C[C@H](Oc1cc(Cl)ccc1Cl)c1cccc(Cl)c1 ZINC000043017208 183328512 /nfs/dbraw/zinc/32/85/12/183328512.db2.gz DWLIWEJDEYIQBE-AWEZNQCLSA-N 1 0 316.615 4.726 10 0 DJAERO C[C@H]([NH3+])[C@H](Sc1ccccc1)c1cccc(Br)c1 ZINC000043024141 183331248 /nfs/dbraw/zinc/33/12/48/183331248.db2.gz QKLXEUVBRQINDH-NHYWBVRUSA-N 1 0 322.271 4.630 10 0 DJAERO CC[C@@H]([NH3+])[C@@H](S[C@@H](C)CC)c1cccc(Br)c1 ZINC000043024679 183331384 /nfs/dbraw/zinc/33/13/84/183331384.db2.gz AYOPSJOMUKJWAJ-GDLCADMTSA-N 1 0 316.308 4.759 10 0 DJAERO CC[C@@H]([NH3+])[C@H](SCC(C)C)c1cccc(Br)c1 ZINC000043024834 183331469 /nfs/dbraw/zinc/33/14/69/183331469.db2.gz ROVIFOXENHONDV-ZIAGYGMSSA-N 1 0 316.308 4.617 10 0 DJAERO Cc1ccccc1S[C@@H](C[NH3+])c1ccccc1Br ZINC000043096334 183337248 /nfs/dbraw/zinc/33/72/48/183337248.db2.gz GFUMSBFTQBMWPW-HNNXBMFYSA-N 1 0 322.271 4.550 10 0 DJAERO Cc1ccccc1S[C@H](C[NH3+])c1ccccc1Br ZINC000043096336 183337252 /nfs/dbraw/zinc/33/72/52/183337252.db2.gz GFUMSBFTQBMWPW-OAHLLOKOSA-N 1 0 322.271 4.550 10 0 DJAERO CC[C@@H]([NH3+])[C@H](Oc1cc(Cl)ccc1Cl)c1cccs1 ZINC000043107840 183338024 /nfs/dbraw/zinc/33/80/24/183338024.db2.gz LKWFACWZZIOHDZ-RISCZKNCSA-N 1 0 316.253 4.912 10 0 DJAERO C[C@H]([NH3+])[C@H](Oc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000043111687 183338175 /nfs/dbraw/zinc/33/81/75/183338175.db2.gz WYNLKCKBZKPDBW-SDBXPKJASA-N 1 0 302.226 4.522 10 0 DJAERO C[C@H]([NH3+])[C@@H](Oc1cccc(Cl)c1Cl)c1cccs1 ZINC000043110142 183338555 /nfs/dbraw/zinc/33/85/55/183338555.db2.gz MGGQAVMSIQPVSL-ISVAXAHUSA-N 1 0 302.226 4.522 10 0 DJAERO CC[NH2+][C@H](c1ccc(CC)o1)c1ccc(Br)cc1C ZINC000051727630 183835485 /nfs/dbraw/zinc/83/54/85/183835485.db2.gz DRYXAMFJQXHIBY-INIZCTEOSA-N 1 0 322.246 4.612 10 0 DJAERO [NH3+]C[C@H](Cc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000057737179 184050418 /nfs/dbraw/zinc/05/04/18/184050418.db2.gz UINTXAOUUUHQSI-NSHDSACASA-N 1 0 314.643 4.932 10 0 DJAERO [NH3+]C[C@H](Cc1ccc(Cl)c(Cl)c1)c1ccccc1Cl ZINC000057743441 184050648 /nfs/dbraw/zinc/05/06/48/184050648.db2.gz ATHMINGRAPMAGD-NSHDSACASA-N 1 0 314.643 4.932 10 0 DJAERO CCc1ccc(C[C@@H]([NH2+]C)c2ccccc2Br)s1 ZINC000060700048 184154423 /nfs/dbraw/zinc/15/44/23/184154423.db2.gz WVVNJQBOYCMHOX-OAHLLOKOSA-N 1 0 324.287 4.576 10 0 DJAERO CCCOc1cccc([C@H]([NH3+])c2cc(Cl)sc2Cl)c1 ZINC000061667584 184181902 /nfs/dbraw/zinc/18/19/02/184181902.db2.gz NJJPTBNYZLBROJ-ZDUSSCGKSA-N 1 0 316.253 4.892 10 0 DJAERO CC[C@H]([NH2+]CCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000063099395 184270544 /nfs/dbraw/zinc/27/05/44/184270544.db2.gz GPRMXAGMTRCYLB-NSHDSACASA-N 1 0 300.151 4.987 10 0 DJAERO C[C@@H]([NH2+]C1CCSCC1)c1c(Cl)ccc(F)c1Cl ZINC000132137550 332103643 /nfs/dbraw/zinc/10/36/43/332103643.db2.gz ITNPUFNSDOVPOJ-MRVPVSSYSA-N 1 0 308.249 4.679 10 0 DJAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(Cl)s1)CC2 ZINC000092835900 332694820 /nfs/dbraw/zinc/69/48/20/332694820.db2.gz CEQFJOIRXMKWSL-QMTHXVAHSA-N 1 0 307.846 4.748 10 0 DJAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000390560373 333300810 /nfs/dbraw/zinc/30/08/10/333300810.db2.gz LJORNTWMNYFEET-OLZOCXBDSA-N 1 0 309.862 4.657 10 0 DJAERO C[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc21)c1cccs1 ZINC000040226625 333341681 /nfs/dbraw/zinc/34/16/81/333341681.db2.gz BEJGSIHNPIZXDV-QMTHXVAHSA-N 1 0 322.271 4.849 10 0 DJAERO CC[C@H]([NH2+][C@H]1CCCc2cc(OC)ccc21)c1cccs1 ZINC000049529135 334345340 /nfs/dbraw/zinc/34/53/40/334345340.db2.gz ULXARDMMIACQRO-IRXDYDNUSA-N 1 0 301.455 4.875 10 0 DJAERO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000192794813 336262034 /nfs/dbraw/zinc/26/20/34/336262034.db2.gz SKXHMLAIWPFXPU-HNAYVOBHSA-N 1 0 311.425 4.650 10 0 DJAERO Cc1cccc2c(N3CCC(OCC4CCCC4)CC3)cc[nH+]c12 ZINC000301678968 336322963 /nfs/dbraw/zinc/32/29/63/336322963.db2.gz RDAAUCMANJMXNX-UHFFFAOYSA-N 1 0 324.468 4.719 10 0 DJAERO CCc1ccc(C[NH2+][C@H](C)c2ccccc2Br)cc1 ZINC000034992199 336384917 /nfs/dbraw/zinc/38/49/17/336384917.db2.gz IPAUISZEEXKZPB-CYBMUJFWSA-N 1 0 318.258 4.862 10 0 DJAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2C)cc1OC ZINC000193900387 337079943 /nfs/dbraw/zinc/07/99/43/337079943.db2.gz IEKPWANAGOYVJL-CVEARBPZSA-N 1 0 313.441 4.732 10 0 DJAERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2C)cc1OC ZINC000193900351 337079993 /nfs/dbraw/zinc/07/99/93/337079993.db2.gz IEKPWANAGOYVJL-HOTGVXAUSA-N 1 0 313.441 4.732 10 0 DJAERO COc1cccc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)c1 ZINC000177290004 337156736 /nfs/dbraw/zinc/15/67/36/337156736.db2.gz NGIPXHHAGBBNIO-KKSFZXQISA-N 1 0 318.420 4.530 10 0 DJAERO CC[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(F)cc1F ZINC000178275357 337161953 /nfs/dbraw/zinc/16/19/53/337161953.db2.gz QVPQUQPIRLMPJG-DLBZAZTESA-N 1 0 303.352 4.529 10 0 DJAERO COc1ccccc1[C@H](C)N[C@H](c1ccccc1)c1cccnc1 ZINC000178609225 337165423 /nfs/dbraw/zinc/16/54/23/337165423.db2.gz JKXCBZCOBAZPQH-HRAATJIYSA-N 1 0 318.420 4.530 10 0 DJAERO Fc1cccc2c1OCC[C@@H]2N[C@H](c1ccco1)c1ccccc1 ZINC000188039996 337270152 /nfs/dbraw/zinc/27/01/52/337270152.db2.gz BTNDGKZHHNJLOR-HKUYNNGSSA-N 1 0 323.367 4.622 10 0 DJAERO CCCCC[N@@H+]1CC[C@](CC(C)C)(c2cccc(OC)c2)C1 ZINC000584650411 337380729 /nfs/dbraw/zinc/38/07/29/337380729.db2.gz IANBACCZCHUDLU-HXUWFJFHSA-N 1 0 303.490 4.875 10 0 DJAERO CCC[C@@]1(c2cccc(O)c2)CC[N@H+](CC2CCCCC2)C1 ZINC000584650692 337380899 /nfs/dbraw/zinc/38/08/99/337380899.db2.gz MRZPLCRYKHVTBT-HXUWFJFHSA-N 1 0 301.474 4.716 10 0 DJAERO Brc1cc(C[NH2+][C@@H]2CCCc3ccccc32)cs1 ZINC000035251123 337394019 /nfs/dbraw/zinc/39/40/19/337394019.db2.gz OCMFMDNPUOKDHA-CQSZACIVSA-N 1 0 322.271 4.678 10 0 DJAERO Brc1cc(C[NH2+][C@H]2CCCc3ccccc32)cs1 ZINC000035251120 337394022 /nfs/dbraw/zinc/39/40/22/337394022.db2.gz OCMFMDNPUOKDHA-AWEZNQCLSA-N 1 0 322.271 4.678 10 0 DJAERO CC1(C)C[C@@H]([NH2+][C@@H]2CCCOc3ccccc32)c2ccccc2O1 ZINC000133593976 337445760 /nfs/dbraw/zinc/44/57/60/337445760.db2.gz OCCIDJKJOSYZPX-QZTJIDSGSA-N 1 0 323.436 4.792 10 0 DJAERO CCc1ccc([C@@H](C)[NH2+]Cc2csc(Br)c2)cc1 ZINC000035255975 337742219 /nfs/dbraw/zinc/74/22/19/337742219.db2.gz ZEHFTISMYDZBJS-LLVKDONJSA-N 1 0 324.287 4.924 10 0 DJAERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000467441993 339238853 /nfs/dbraw/zinc/23/88/53/339238853.db2.gz JTNOTFUBEBSSQB-RNJOBUHISA-N 1 0 316.272 4.848 10 0 DJAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000467441992 339238903 /nfs/dbraw/zinc/23/89/03/339238903.db2.gz JTNOTFUBEBSSQB-IJLUTSLNSA-N 1 0 316.272 4.848 10 0 DJAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000222431660 340536604 /nfs/dbraw/zinc/53/66/04/340536604.db2.gz CFISTRYSGRCBAU-WISYIIOYSA-N 1 0 317.317 4.818 10 0 DJAERO CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000246828117 341357422 /nfs/dbraw/zinc/35/74/22/341357422.db2.gz BNSBLDQOZZUNCH-MVWJERBFSA-N 1 0 320.424 4.786 10 0 DJAERO CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000246828131 341357431 /nfs/dbraw/zinc/35/74/31/341357431.db2.gz BNSBLDQOZZUNCH-WCQGTBRESA-N 1 0 320.424 4.786 10 0 DJAERO CCc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1ccc(C)c(F)c1)CCC2 ZINC000168513699 341743193 /nfs/dbraw/zinc/74/31/93/341743193.db2.gz IKEZZHIDLBPMGY-SWLSCSKDSA-N 1 0 318.461 4.881 10 0 DJAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC000177788432 341938102 /nfs/dbraw/zinc/93/81/02/341938102.db2.gz OYUZHAAIQVARSU-CYBMUJFWSA-N 1 0 313.470 4.585 10 0 DJAERO CC(=O)c1c(C)cc(C)c(C[NH2+][C@H](C)c2cccs2)c1C ZINC000181153499 518235428 /nfs/dbraw/zinc/23/54/28/518235428.db2.gz YAMGTOLUZTUKSI-CQSZACIVSA-N 1 0 301.455 4.727 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)nc1 ZINC000179101946 525560993 /nfs/dbraw/zinc/56/09/93/525560993.db2.gz KCJOLLAYGWHQIM-ZMLRMANQSA-N 1 0 306.759 4.507 10 0 DJAERO C[NH2+]CCC[C@@]1(c2ccccc2)SC(C)(C)c2ccccc21 ZINC000001999271 563297369 /nfs/dbraw/zinc/29/73/69/563297369.db2.gz FKHYYOUFMJBLAF-FQEVSTJZSA-N 1 0 311.494 4.912 10 0 in-man DJAERO FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000034781461 563451449 /nfs/dbraw/zinc/45/14/49/563451449.db2.gz CWLMKZQZGZWEAK-FIQHERPVSA-N 1 0 317.317 4.818 10 0 DJAERO Cc1c(C2CC[NH2+]CC2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000097673667 563541123 /nfs/dbraw/zinc/54/11/23/563541123.db2.gz VATFBRHVGPCOIR-UHFFFAOYSA-N 1 0 322.427 4.604 10 0 DJAERO Clc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccccc1 ZINC000010474063 563649094 /nfs/dbraw/zinc/64/90/94/563649094.db2.gz LNCLSVXENALCCT-UHFFFAOYSA-N 1 0 315.844 4.951 10 0 DJAERO CC(C)C[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010474879 563649229 /nfs/dbraw/zinc/64/92/29/563649229.db2.gz WPWMGCQGUMSERL-UHFFFAOYSA-N 1 0 303.833 4.665 10 0 DJAERO CC(C)C[NH2+]Cc1ccccc1OCc1cccc(Cl)c1 ZINC000032198033 563769043 /nfs/dbraw/zinc/76/90/43/563769043.db2.gz DAODOOPJUUXDGM-UHFFFAOYSA-N 1 0 303.833 4.665 10 0 DJAERO CC(C)[NH2+]Cc1ccccc1OCc1c(F)cccc1Cl ZINC000032209201 563769141 /nfs/dbraw/zinc/76/91/41/563769141.db2.gz KYXBWOAMDVJQRA-UHFFFAOYSA-N 1 0 307.796 4.556 10 0 DJAERO Cc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)c2ccccc2)s1 ZINC000036101641 563893657 /nfs/dbraw/zinc/89/36/57/563893657.db2.gz UNHPBPXFWWRQLE-LJQANCHMSA-N 1 0 317.498 4.638 10 0 DJAERO COCc1c(C[NH2+]CC(C)C)oc2cc(C)c(Cl)c(C)c21 ZINC000077071707 185093591 /nfs/dbraw/zinc/09/35/91/185093591.db2.gz OTIANHMJIFONMS-UHFFFAOYSA-N 1 0 309.837 4.595 10 0 DJAERO CCc1nc(-c2ccc(Cl)cc2)sc1C[NH2+]CC(C)C ZINC000082422867 185180104 /nfs/dbraw/zinc/18/01/04/185180104.db2.gz DYWHWMFBAVANSY-UHFFFAOYSA-N 1 0 308.878 4.772 10 0 DJAERO CCC[NH2+]Cc1sc(-c2ccc(CC)cc2)nc1C1CC1 ZINC000082436792 185182441 /nfs/dbraw/zinc/18/24/41/185182441.db2.gz LOIFFMGTRFGRQP-UHFFFAOYSA-N 1 0 300.471 4.750 10 0 DJAERO Cc1cccc(-c2nc(C(C)(C)C)c(C[NH2+]C(C)C)s2)c1 ZINC000082439122 185182802 /nfs/dbraw/zinc/18/28/02/185182802.db2.gz AFBKLMZGTYYIET-UHFFFAOYSA-N 1 0 302.487 4.914 10 0 DJAERO Cc1ccc(SCc2nc(C(C)(C)C)c(C[NH3+])s2)cc1 ZINC000082439581 185182940 /nfs/dbraw/zinc/18/29/40/185182940.db2.gz WECVDCXBNDHLDP-UHFFFAOYSA-N 1 0 306.500 4.500 10 0 DJAERO C[C@@H]([NH3+])Cc1cc(Cl)ccc1OCc1ccc(Cl)s1 ZINC000037725697 190665058 /nfs/dbraw/zinc/66/50/58/190665058.db2.gz WBGDQQQZZMWYKX-SECBINFHSA-N 1 0 316.253 4.524 10 0 DJAERO c1c(CC[NH+]2CCCCC2)c2ccccc2n1-c1ccccc1 ZINC000001851575 180898634 /nfs/dbraw/zinc/89/86/34/180898634.db2.gz MJVHQIOXYTTYSU-UHFFFAOYSA-N 1 0 304.437 4.659 10 0 DJAERO c1ccc(-c2cc(CC[C@H]3CCC[NH2+]C3)c3ccccc3n2)cc1 ZINC000005162590 181211551 /nfs/dbraw/zinc/21/15/51/181211551.db2.gz BRSGIGKMAFNWJD-QGZVFWFLSA-N 1 0 316.448 4.834 10 0 DJAERO C[n+]1c(-c2ccccc2)cc(-c2ccccc2)c2c1CCCC2 ZINC000005377811 181236293 /nfs/dbraw/zinc/23/62/93/181236293.db2.gz KKRYTAHZJQWVCE-UHFFFAOYSA-N 1 0 300.425 4.724 10 0 DJAERO Cc1ccc(-c2cc[n+](Cc3ccccc3)c3c2CCCC3)cc1 ZINC000005416991 181240709 /nfs/dbraw/zinc/24/07/09/181240709.db2.gz HVDYDKWVHUVJIF-UHFFFAOYSA-N 1 0 314.452 4.877 10 0 DJAERO C[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000080065765 191998025 /nfs/dbraw/zinc/99/80/25/191998025.db2.gz OXERVZUPJUSFCQ-UHFFFAOYSA-N 1 0 319.235 4.716 10 0 DJAERO CCCCC[C@H]1CCCC[N@@H+]1CCCOC(=O)c1ccccc1 ZINC000005513440 181251903 /nfs/dbraw/zinc/25/19/03/181251903.db2.gz SRZOHCZNOHUVHY-IBGZPJMESA-N 1 0 317.473 4.668 10 0 DJAERO C[NH+](C)[C@H]1C[C@@H](c2ccc(Br)cc2)c2ccccc21 ZINC000005965214 181301360 /nfs/dbraw/zinc/30/13/60/181301360.db2.gz FAVRAXVBHORDCR-IRXDYDNUSA-N 1 0 316.242 4.587 10 0 DJAERO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc(Br)s1 ZINC000216407970 201491958 /nfs/dbraw/zinc/49/19/58/201491958.db2.gz BSMAGZYENHTDGL-AXFHLTTASA-N 1 0 302.281 4.740 10 0 DJAERO Cc1cccc(C[NH2+][C@H](CSC(F)(F)F)CC(C)C)c1 ZINC000095918345 193449611 /nfs/dbraw/zinc/44/96/11/193449611.db2.gz LMTGOVBBBUNCHC-AWEZNQCLSA-N 1 0 305.409 4.752 10 0 DJAERO CCOc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1Cl ZINC000010436589 181670348 /nfs/dbraw/zinc/67/03/48/181670348.db2.gz NDFKKKRTCBALPL-UHFFFAOYSA-N 1 0 319.876 4.653 10 0 DJAERO C[C@@H]([NH2+]C1CCCC1)c1cc2cc(Br)ccc2o1 ZINC000019883580 182159884 /nfs/dbraw/zinc/15/98/84/182159884.db2.gz BKQQVFMAUZEVNP-SNVBAGLBSA-N 1 0 308.219 4.789 10 0 DJAERO CC[C@H]([NH2+]Cc1ccc(C)cc1)c1ccc(Br)cc1 ZINC000019962583 182171001 /nfs/dbraw/zinc/17/10/01/182171001.db2.gz YZNYWXAJTVBHEK-KRWDZBQOSA-N 1 0 318.258 4.998 10 0 DJAERO C[C@H]([NH2+]CCCN(C)c1ccccc1)c1cccc(Cl)c1 ZINC000019988641 182174411 /nfs/dbraw/zinc/17/44/11/182174411.db2.gz GQRYXHUHQVSFTG-HNNXBMFYSA-N 1 0 302.849 4.517 10 0 DJAERO Cc1cccc(C[NH2+][C@H](C)c2cccc(Br)c2)c1 ZINC000020133975 182190765 /nfs/dbraw/zinc/19/07/65/182190765.db2.gz ZNZFLYCMRUENAV-CYBMUJFWSA-N 1 0 304.231 4.608 10 0 DJAERO C[C@H]([NH2+][C@@H](C)c1ccccc1Br)c1cccs1 ZINC000020148295 182192596 /nfs/dbraw/zinc/19/25/96/182192596.db2.gz VUYNTVQDPWWEOI-QWRGUYRKSA-N 1 0 310.260 4.922 10 0 DJAERO [NH3+]Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000020184382 182194930 /nfs/dbraw/zinc/19/49/30/182194930.db2.gz FFZABBSOTJQXCC-UHFFFAOYSA-N 1 0 300.814 4.589 10 0 DJAERO C[C@@H]([NH3+])c1cc(F)ccc1Oc1ccc(Cl)cc1Cl ZINC000020565039 182233314 /nfs/dbraw/zinc/23/33/14/182233314.db2.gz RXOHPVXPGNSGBU-MRVPVSSYSA-N 1 0 300.160 4.945 10 0 DJAERO COc1ccc([C@@H]([NH3+])c2c(Cl)cccc2Cl)cc1Cl ZINC000020521948 182226390 /nfs/dbraw/zinc/22/63/90/182226390.db2.gz XPRRFWKIUHTTAU-CQSZACIVSA-N 1 0 316.615 4.704 10 0 DJAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000020522900 182227275 /nfs/dbraw/zinc/22/72/75/182227275.db2.gz SFGCAHSPYBXDLK-QWRGUYRKSA-N 1 0 310.235 4.890 10 0 DJAERO NC(=[NH2+])c1cccc(CSc2cc(Cl)ccc2Cl)c1 ZINC000020550499 182230238 /nfs/dbraw/zinc/23/02/38/182230238.db2.gz ONMOFFSMNLUKDQ-UHFFFAOYSA-N 1 0 311.237 4.570 10 0 DJAERO [NH3+][C@H](c1csc2ccccc21)c1ccccc1Br ZINC000020596385 182236291 /nfs/dbraw/zinc/23/62/91/182236291.db2.gz IDVBMMJUZYZJOL-HNNXBMFYSA-N 1 0 318.239 4.712 10 0 DJAERO Cc1ccc(COc2cccc(C[NH2+]C3CCCCC3)c2)cc1 ZINC000020874416 182250592 /nfs/dbraw/zinc/25/05/92/182250592.db2.gz QFSFLFQGGMRFGO-UHFFFAOYSA-N 1 0 309.453 4.996 10 0 DJAERO Cc1ccc(COc2ccc(C[NH2+]C3CCCCC3)cc2)cc1 ZINC000020873690 182250833 /nfs/dbraw/zinc/25/08/33/182250833.db2.gz AECMIFDHVADIHW-UHFFFAOYSA-N 1 0 309.453 4.996 10 0 DJAERO CCCc1ccc([C@H]([NH3+])Cc2ccc(Br)cc2)cc1 ZINC000021009708 182259488 /nfs/dbraw/zinc/25/94/88/182259488.db2.gz AMHBZQPYFPSDOZ-QGZVFWFLSA-N 1 0 318.258 4.644 10 0 DJAERO CCCc1ccc([C@H]([NH3+])c2ccc(F)cc2Br)cc1 ZINC000021520816 182278338 /nfs/dbraw/zinc/27/83/38/182278338.db2.gz NCLQWOLQQJZYTG-INIZCTEOSA-N 1 0 322.221 4.589 10 0 DJAERO Nc1nc(-c2ccc3ccccc3c2)c(C[NH+]2CCCCC2)s1 ZINC000026480365 182442642 /nfs/dbraw/zinc/44/26/42/182442642.db2.gz CJUZKTXVKNYGMT-UHFFFAOYSA-N 1 0 323.465 4.531 10 0 DJAERO CC[NH2+]Cc1c(OCc2cccc(C)c2)ccc2ccccc21 ZINC000033451799 182712450 /nfs/dbraw/zinc/71/24/50/182712450.db2.gz XABPFGVUOMPFFW-UHFFFAOYSA-N 1 0 305.421 4.837 10 0 DJAERO C[C@H]1CCCC[C@H]1[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000036842472 182848202 /nfs/dbraw/zinc/84/82/02/182848202.db2.gz JGIAMSMRYWBTDV-JEWKTJRQSA-N 1 0 322.290 4.863 10 0 DJAERO C[C@@H]([NH2+]CCCc1ccccc1)c1ccc(Br)s1 ZINC000038001881 182958507 /nfs/dbraw/zinc/95/85/07/182958507.db2.gz SQXFLUXWXPCERA-GFCCVEGCSA-N 1 0 324.287 4.794 10 0 DJAERO CC[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000038096222 182988886 /nfs/dbraw/zinc/98/88/86/182988886.db2.gz FHJIRVPXKJMVJB-SWLSCSKDSA-N 1 0 302.245 4.603 10 0 DJAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1Cl)c1cccs1 ZINC000040237946 183048593 /nfs/dbraw/zinc/04/85/93/183048593.db2.gz BAXMWFFBTWIYLE-CYBMUJFWSA-N 1 0 300.254 4.948 10 0 DJAERO CC(C)(C)[NH2+]Cc1ccccc1OCc1cccc(Cl)c1 ZINC000040732541 183126482 /nfs/dbraw/zinc/12/64/82/183126482.db2.gz JUWJPKNNPAOHPK-UHFFFAOYSA-N 1 0 303.833 4.807 10 0 DJAERO CCC[NH2+]Cc1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000040738564 183127035 /nfs/dbraw/zinc/12/70/35/183127035.db2.gz ALLFRHSWYNCPGY-UHFFFAOYSA-N 1 0 307.796 4.558 10 0 DJAERO Clc1cccc(COc2ccc(Cl)cc2C[NH2+]C2CC2)c1 ZINC000040743534 183127849 /nfs/dbraw/zinc/12/78/49/183127849.db2.gz UYGGNAWDQFGYPA-UHFFFAOYSA-N 1 0 322.235 4.824 10 0 DJAERO CCC[NH2+]Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000041010072 183155884 /nfs/dbraw/zinc/15/58/84/183155884.db2.gz DDKHUSIXSOPEPP-UHFFFAOYSA-N 1 0 301.242 4.617 10 0 DJAERO COc1ccc(Nc2cc[nH+]c3c(C)cc(C)cc23)c(OC)c1 ZINC000041054961 183159138 /nfs/dbraw/zinc/15/91/38/183159138.db2.gz MXFVHYUPZHSDPV-UHFFFAOYSA-N 1 0 308.381 4.612 10 0 DJAERO Cc1ccc(C[C@@H](C[NH3+])Cc2ccc(Cl)cc2Cl)cc1 ZINC000041541351 183201230 /nfs/dbraw/zinc/20/12/30/183201230.db2.gz ZHZOXCIQUYSZAL-CQSZACIVSA-N 1 0 308.252 4.662 10 0 DJAERO C[C@@H]([NH3+])[C@@H](Sc1ccccc1)c1ccc(Br)cc1 ZINC000042958622 183323532 /nfs/dbraw/zinc/32/35/32/183323532.db2.gz CFNOXIZWLXKIOU-IAQYHMDHSA-N 1 0 322.271 4.630 10 0 DJAERO [NH3+]C[C@@H](Oc1cc(Cl)ccc1Cl)c1cccc(Cl)c1 ZINC000043017206 183328382 /nfs/dbraw/zinc/32/83/82/183328382.db2.gz DWLIWEJDEYIQBE-CQSZACIVSA-N 1 0 316.615 4.726 10 0 DJAERO [NH3+]C[C@H](Oc1ccc(Cl)cc1Cl)c1cccc(Cl)c1 ZINC000043017548 183328760 /nfs/dbraw/zinc/32/87/60/183328760.db2.gz IDDYBXLHTIGQKP-AWEZNQCLSA-N 1 0 316.615 4.726 10 0 DJAERO [NH3+]C[C@@H](SC1CCCCC1)c1ccccc1Br ZINC000043096366 183337659 /nfs/dbraw/zinc/33/76/59/183337659.db2.gz GJEHDDLCSRREPK-CQSZACIVSA-N 1 0 314.292 4.515 10 0 DJAERO [NH3+]C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)c1cccs1 ZINC000043109143 183338305 /nfs/dbraw/zinc/33/83/05/183338305.db2.gz OZRDNTTYSPWMBP-LLVKDONJSA-N 1 0 322.644 4.787 10 0 DJAERO C[C@@H]([NH3+])[C@H](Oc1ccc(Cl)cc1Cl)c1cccs1 ZINC000043108626 183338325 /nfs/dbraw/zinc/33/83/25/183338325.db2.gz QTCSLNYAVSYJGH-OQPBUACISA-N 1 0 302.226 4.522 10 0 DJAERO Cc1ccc([C@H](C)[NH2+]Cc2sccc2Br)s1 ZINC000043675336 183378879 /nfs/dbraw/zinc/37/88/79/183378879.db2.gz RQSRCSYCJYYJKJ-VIFPVBQESA-N 1 0 316.289 4.731 10 0 DJAERO CC[C@@H]([NH2+][C@H]1CCC[C@@H]1OC)c1ccc(Cl)c(Cl)c1 ZINC000050371308 183783694 /nfs/dbraw/zinc/78/36/94/183783694.db2.gz YFJRXKXWSPBFMH-ILXRZTDVSA-N 1 0 302.245 4.602 10 0 DJAERO C[C@H](CCC[NH2+]C(C)(C)C)Oc1ccc(Cl)c(Cl)c1 ZINC000052702627 183868725 /nfs/dbraw/zinc/86/87/25/183868725.db2.gz UMBNPMJEMXGFAZ-LLVKDONJSA-N 1 0 304.261 4.929 10 0 DJAERO CCC(CC)(C[NH2+]C1CC1)Cc1cc(Br)cs1 ZINC000054658814 183947601 /nfs/dbraw/zinc/94/76/01/183947601.db2.gz KYWINTOYNXBMTQ-UHFFFAOYSA-N 1 0 316.308 4.612 10 0 DJAERO CC[NH2+][C@H](c1ccc(Br)cc1)c1ccc(F)c(C)c1 ZINC000055222809 183972221 /nfs/dbraw/zinc/97/22/21/183972221.db2.gz PAEBSMJRZOODGI-MRXNPFEDSA-N 1 0 322.221 4.596 10 0 DJAERO [NH3+][C@@H](Cc1c(Cl)cccc1Cl)c1ccc(F)cc1F ZINC000055239068 183972801 /nfs/dbraw/zinc/97/28/01/183972801.db2.gz YBTZXTVCGIXICL-AWEZNQCLSA-N 1 0 302.151 4.514 10 0 DJAERO N[C@H](c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 ZINC000058432842 184117798 /nfs/dbraw/zinc/11/77/98/184117798.db2.gz FTKGBBSKDCVRGV-HNNXBMFYSA-N 1 0 300.814 4.512 10 0 DJAERO N[C@@H](c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 ZINC000058432844 184117909 /nfs/dbraw/zinc/11/79/09/184117909.db2.gz FTKGBBSKDCVRGV-OAHLLOKOSA-N 1 0 300.814 4.512 10 0 DJAERO C[C@@H]([NH3+])c1ccc(O[C@H](C)c2ccccc2)c(Br)c1 ZINC000061698820 184183826 /nfs/dbraw/zinc/18/38/26/184183826.db2.gz MOBIYVWCJWKPEN-VXGBXAGGSA-N 1 0 320.230 4.609 10 0 DJAERO C[C@H]([NH3+])c1ccc(O[C@@H](C)c2ccccc2)c(Br)c1 ZINC000061698821 184183886 /nfs/dbraw/zinc/18/38/86/184183886.db2.gz MOBIYVWCJWKPEN-RYUDHWBXSA-N 1 0 320.230 4.609 10 0 DJAERO C[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000062184755 184215990 /nfs/dbraw/zinc/21/59/90/184215990.db2.gz VGDFKIYXTMJZLI-VXGBXAGGSA-N 1 0 324.287 4.792 10 0 DJAERO C[NH2+][C@@H](Cc1ccc(Cl)s1)Cc1c(F)cccc1Cl ZINC000062352444 184231896 /nfs/dbraw/zinc/23/18/96/184231896.db2.gz UXJJTOPPMQEECT-VIFPVBQESA-N 1 0 318.244 4.567 10 0 DJAERO Cc1cc(Br)ccc1Oc1ccc([C@H](C)[NH3+])cc1 ZINC000063062094 184268778 /nfs/dbraw/zinc/26/87/78/184268778.db2.gz WEXUDXXHZFWXLR-NSHDSACASA-N 1 0 306.203 4.570 10 0 DJAERO Cc1cc(C(c2ccc(N)cc2)=C2CCC(=[NH2+])CC2)ccc1N ZINC000503917921 257152444 /nfs/dbraw/zinc/15/24/44/257152444.db2.gz HLJWHRHWQCAYQC-UHFFFAOYSA-N 1 0 305.425 4.555 10 0 DJAERO C[C@@H]1CC[N@H+]([C@H](c2ccccc2)[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000100363654 257232237 /nfs/dbraw/zinc/23/22/37/257232237.db2.gz QMSHXKQCTXFXMH-DEPWHIHDSA-N 1 0 309.453 4.582 10 0 DJAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccsc1Cl ZINC000312769763 331734142 /nfs/dbraw/zinc/73/41/42/331734142.db2.gz PYMMZBZPSQXHQC-HNNXBMFYSA-N 1 0 307.846 4.577 10 0 DJAERO CCCn1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2)c1 ZINC000091012885 332058676 /nfs/dbraw/zinc/05/86/76/332058676.db2.gz KTOPNEJGVGQFQG-ZDUSSCGKSA-N 1 0 321.262 4.511 10 0 DJAERO Clc1ccc(-c2csc(C3CC[NH2+]CC3)n2)cc1Cl ZINC000053252406 333048508 /nfs/dbraw/zinc/04/85/08/333048508.db2.gz FYSHJJNSCRAWKE-UHFFFAOYSA-N 1 0 313.253 4.584 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)c1ccc(Cl)s1 ZINC000390544733 333296455 /nfs/dbraw/zinc/29/64/55/333296455.db2.gz TXSGNMRRFRQQGV-QWHCGFSZSA-N 1 0 309.862 4.657 10 0 DJAERO CC[N@H+](Cc1ccccc1C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000101726255 334351064 /nfs/dbraw/zinc/35/10/64/334351064.db2.gz ZWPYEVJSYOYWOL-INIZCTEOSA-N 1 0 321.424 4.628 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(F)cc(F)c1 ZINC000094826873 335755630 /nfs/dbraw/zinc/75/56/30/335755630.db2.gz SZELFSLCGMUDOG-NURSFMCSSA-N 1 0 307.306 4.737 10 0 DJAERO Cc1ccc(C)c(C[NH2+][C@H](C)c2cccc(Br)c2)c1 ZINC000042361200 336239775 /nfs/dbraw/zinc/23/97/75/336239775.db2.gz VBWXDLCCWFVPNF-CQSZACIVSA-N 1 0 318.258 4.917 10 0 DJAERO CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)cc1 ZINC000192794823 336262037 /nfs/dbraw/zinc/26/20/37/336262037.db2.gz SKXHMLAIWPFXPU-BEFAXECRSA-N 1 0 311.425 4.650 10 0 DJAERO CC(C)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(O)c2)cc1 ZINC000192845198 336267291 /nfs/dbraw/zinc/26/72/91/336267291.db2.gz IWAQBKIJJNAWSN-CVEARBPZSA-N 1 0 313.441 4.839 10 0 DJAERO CC(C)COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(O)c2)cc1 ZINC000192845221 336267338 /nfs/dbraw/zinc/26/73/38/336267338.db2.gz IWAQBKIJJNAWSN-HZPDHXFCSA-N 1 0 313.441 4.839 10 0 DJAERO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000193002703 336286913 /nfs/dbraw/zinc/28/69/13/336286913.db2.gz MRBGOBOKYITRTB-YOEHRIQHSA-N 1 0 307.393 4.916 10 0 DJAERO Cc1cccc2c(NC[C@H]3CCO[C@@H]3c3ccccc3)cc[nH+]c12 ZINC000301663686 336321729 /nfs/dbraw/zinc/32/17/29/336321729.db2.gz KOIISZJYRAAXDX-DYESRHJHSA-N 1 0 318.420 4.733 10 0 DJAERO Cc1cccc2c(N[C@H]3CCO[C@H](c4ccccc4)C3)cc[nH+]c12 ZINC000302165583 336351884 /nfs/dbraw/zinc/35/18/84/336351884.db2.gz JEEMVGHHJIPYFR-PXNSSMCTSA-N 1 0 318.420 4.875 10 0 DJAERO CC[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1cccs1 ZINC000168427999 336693524 /nfs/dbraw/zinc/69/35/24/336693524.db2.gz MLNAQSGUTWQCSR-AWEZNQCLSA-N 1 0 306.500 4.519 10 0 DJAERO CCC[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(OC)cc1 ZINC000178272136 337161796 /nfs/dbraw/zinc/16/17/96/337161796.db2.gz VHVAAJLNTOQOKI-MOPGFXCFSA-N 1 0 311.425 4.650 10 0 DJAERO COc1ccccc1[C@@H](C)N[C@@H](c1ccccc1)c1cccnc1 ZINC000178609211 337165454 /nfs/dbraw/zinc/16/54/54/337165454.db2.gz JKXCBZCOBAZPQH-IERDGZPVSA-N 1 0 318.420 4.530 10 0 DJAERO CC(=O)O[C@H]1CCCCCCCCCC[C@@H]1[NH+]1CCCCC1 ZINC000584600575 337370831 /nfs/dbraw/zinc/37/08/31/337370831.db2.gz QVXUXGOJHBYJOU-OALUTQOASA-N 1 0 309.494 4.687 10 0 DJAERO CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCCc3cc(F)ccc32)s1 ZINC000090964045 337887632 /nfs/dbraw/zinc/88/76/32/337887632.db2.gz FTEUMPRRGWTJIE-ZBEGNZNMSA-N 1 0 318.461 4.881 10 0 DJAERO CC[C@H]([NH2+][C@H]1CCOc2ccccc21)c1cc(C)ccc1OC ZINC000093369660 337915712 /nfs/dbraw/zinc/91/57/12/337915712.db2.gz HYYKTFPFXLRKOQ-ROUUACIJSA-N 1 0 311.425 4.568 10 0 DJAERO C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1cc(F)ccc1F ZINC000083477069 337994944 /nfs/dbraw/zinc/99/49/44/337994944.db2.gz GOOBCXMIFSIIPR-BMLIUANNSA-N 1 0 307.771 4.956 10 0 DJAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000467441995 339238828 /nfs/dbraw/zinc/23/88/28/339238828.db2.gz JTNOTFUBEBSSQB-YVECIDJPSA-N 1 0 316.272 4.848 10 0 DJAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000503562699 340130669 /nfs/dbraw/zinc/13/06/69/340130669.db2.gz LYWUUNUGRISVHA-UTUOFQBUSA-N 1 0 316.272 4.848 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccc(Cl)s1 ZINC000235517352 340660413 /nfs/dbraw/zinc/66/04/13/340660413.db2.gz PRKUHBPXAXVSBO-IINYFYTJSA-N 1 0 307.846 4.835 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(F)c(Cl)c1 ZINC000037074254 340746041 /nfs/dbraw/zinc/74/60/41/340746041.db2.gz YKTAJWOQQFFKFB-MEDUHNTESA-N 1 0 305.780 4.654 10 0 DJAERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)cc1OC ZINC000074335233 341144047 /nfs/dbraw/zinc/14/40/47/341144047.db2.gz STMFKOUBEGGMSK-STQMWFEESA-N 1 0 319.832 4.769 10 0 DJAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C)c1ccccc1Cl ZINC000247537312 341366763 /nfs/dbraw/zinc/36/67/63/341366763.db2.gz COXFYFYEYURLKS-CXAGYDPISA-N 1 0 317.864 4.588 10 0 DJAERO CC(C)[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccccc1Cl ZINC000248827115 341387811 /nfs/dbraw/zinc/38/78/11/341387811.db2.gz MBQBRYJKQIKMGH-OLMNPRSZSA-N 1 0 307.865 4.584 10 0 DJAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)c3ccccc32)cc1 ZINC000182165508 519734119 /nfs/dbraw/zinc/73/41/19/519734119.db2.gz NWGRTAQVHJAYLS-WIEQDCTASA-N 1 0 322.452 4.934 10 0 DJAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000181912671 524025974 /nfs/dbraw/zinc/02/59/74/524025974.db2.gz GVTZNQDMIWCHJG-CABCVRRESA-N 1 0 310.441 4.619 10 0 DJAERO C[C@H]([NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)c1cccnc1 ZINC000158564157 525602439 /nfs/dbraw/zinc/60/24/39/525602439.db2.gz QXYYONPYMTUHHQ-YJBOKZPZSA-N 1 0 308.425 4.569 10 0 DJAERO C[C@@H]([NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)c1cccnc1 ZINC000158564294 525672894 /nfs/dbraw/zinc/67/28/94/525672894.db2.gz QXYYONPYMTUHHQ-QAPCUYQASA-N 1 0 308.425 4.569 10 0 DJAERO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)cnn1C(C)C ZINC000191205550 525921550 /nfs/dbraw/zinc/92/15/50/525921550.db2.gz CAVUNDTUUDASMH-RYUDHWBXSA-N 1 0 323.843 4.977 10 0 DJAERO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(F)c(Cl)c2)cnn1C(C)C ZINC000191205582 525925320 /nfs/dbraw/zinc/92/53/20/525925320.db2.gz CAVUNDTUUDASMH-NEPJUHHUSA-N 1 0 323.843 4.977 10 0 DJAERO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]C(C)C)c1 ZINC000034815530 563246455 /nfs/dbraw/zinc/24/64/55/563246455.db2.gz SAYQBHAQUDPGCG-UHFFFAOYSA-N 1 0 303.833 4.725 10 0 DJAERO Cc1cc(-c2ccc(C[NH2+]C(C)C)o2)ccc1Br ZINC000010436375 563356943 /nfs/dbraw/zinc/35/69/43/563356943.db2.gz IMJLIWQVAKLXTH-UHFFFAOYSA-N 1 0 308.219 4.516 10 0 DJAERO CC(C)[NH2+]Cc1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000037704144 563415986 /nfs/dbraw/zinc/41/59/86/563415986.db2.gz HUGCTIRFELVZMO-UHFFFAOYSA-N 1 0 307.796 4.556 10 0 DJAERO CS[C@H](C)CC[N@H+](Cc1sccc1C)Cc1ccccn1 ZINC000055109314 563471878 /nfs/dbraw/zinc/47/18/78/563471878.db2.gz FCFZAVOXXWLUNX-OAHLLOKOSA-N 1 0 320.527 4.595 10 0 DJAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(Br)c1 ZINC000013725551 563663061 /nfs/dbraw/zinc/66/30/61/563663061.db2.gz BLSZUFQEQONDMJ-AWEZNQCLSA-N 1 0 318.258 4.560 10 0 DJAERO CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028428084 563751470 /nfs/dbraw/zinc/75/14/70/563751470.db2.gz AXSLVKMDGFTQAA-UHFFFAOYSA-N 1 0 310.224 4.682 10 0 DJAERO CC(C)[NH2+]Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000032209209 563769056 /nfs/dbraw/zinc/76/90/56/563769056.db2.gz AYHWFLMGSQXAMR-UHFFFAOYSA-N 1 0 307.796 4.556 10 0 DJAERO CCC[NH2+]Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000032209212 563769159 /nfs/dbraw/zinc/76/91/59/563769159.db2.gz WXDZLBPFNBOUDG-UHFFFAOYSA-N 1 0 307.796 4.558 10 0 DJAERO CCC[NH2+][C@H](C)c1csc(-c2cccc(OCCC)c2)n1 ZINC000076784394 185041192 /nfs/dbraw/zinc/04/11/92/185041192.db2.gz HJKQZJVFPCUTQP-CYBMUJFWSA-N 1 0 304.459 4.660 10 0 DJAERO CC[NH2+]Cc1sc(-c2ccc(Cl)cc2)nc1C(C)(C)C ZINC000082439056 185182954 /nfs/dbraw/zinc/18/29/54/185182954.db2.gz BLMGZCLEOXSWSW-UHFFFAOYSA-N 1 0 308.878 4.871 10 0 DJAERO CC1(C)C[C@@H]([NH2+]Cc2ccc(Cl)cc2)c2ccccc2O1 ZINC000082504905 185187706 /nfs/dbraw/zinc/18/77/06/185187706.db2.gz VLJMXYPRAUSTNZ-MRXNPFEDSA-N 1 0 301.817 4.732 10 0 DJAERO CC(C)(C)C(=O)Nc1ccc2cc(C[NH+]3CCCCC3)ccc2c1 ZINC000090615714 185306903 /nfs/dbraw/zinc/30/69/03/185306903.db2.gz UPUUKKNFCVXEIM-UHFFFAOYSA-N 1 0 324.468 4.810 10 0 DJAERO O=C(c1ccccc1)[C@H](CCC[NH+]1CCCCC1)c1ccccc1 ZINC000003602168 181039010 /nfs/dbraw/zinc/03/90/10/181039010.db2.gz RNIBVRFWGZKRNH-OAQYLSRUSA-N 1 0 321.464 4.919 10 0 DJAERO CC(=O)n1c2ccccc2c(C[NH+]2CCCC2)c1-c1ccccc1 ZINC000005167649 181212703 /nfs/dbraw/zinc/21/27/03/181212703.db2.gz NNESKQXSXLDBFX-UHFFFAOYSA-N 1 0 318.420 4.564 10 0 DJAERO CC(C)([NH3+])c1ccc(C(F)(F)C(F)(F)c2ccccc2)cc1 ZINC000005357611 181233702 /nfs/dbraw/zinc/23/37/02/181233702.db2.gz YTXBIQSEDPVQBC-UHFFFAOYSA-N 1 0 311.322 4.764 10 0 DJAERO CCCCC[C@H](C(=O)OCCC[NH+](CC)CC)c1ccccc1 ZINC000005513286 181251908 /nfs/dbraw/zinc/25/19/08/181251908.db2.gz LLFBJCUVGCPARA-IBGZPJMESA-N 1 0 319.489 4.626 10 0 DJAERO COc1ccc(C[C@H]2C(C)=C(C)CC[N@H+]2Cc2ccccc2)cc1 ZINC000005766501 181282269 /nfs/dbraw/zinc/28/22/69/181282269.db2.gz FGVXHUJLIAKCEK-QFIPXVFZSA-N 1 0 321.464 4.849 10 0 DJAERO COc1ccc(C[N@H+](C)C(C)C)cc1-c1cnc2ccccc2c1 ZINC000006750835 181383116 /nfs/dbraw/zinc/38/31/16/181383116.db2.gz ROFISLDTDLEKHC-UHFFFAOYSA-N 1 0 320.436 4.751 10 0 DJAERO CC[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000019943877 182168456 /nfs/dbraw/zinc/16/84/56/182168456.db2.gz NVLVICHWFSUMRJ-MRXNPFEDSA-N 1 0 322.221 4.829 10 0 DJAERO CCC(CC)[C@H]([NH3+])c1cc(Cl)cc(Br)c1OC ZINC000019967841 182171283 /nfs/dbraw/zinc/17/12/83/182171283.db2.gz DSFDHJNFZMLMPL-LBPRGKRZSA-N 1 0 320.658 4.547 10 0 DJAERO Cc1cc(C)c([C@@H]([NH3+])c2cc(F)ccc2Br)c(C)c1 ZINC000019968654 182171849 /nfs/dbraw/zinc/17/18/49/182171849.db2.gz JOTIXMNWEOIJCK-INIZCTEOSA-N 1 0 322.221 4.562 10 0 DJAERO CC(C)(C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019971854 182172378 /nfs/dbraw/zinc/17/23/78/182172378.db2.gz OCFXLOGAGNMKBF-SNVBAGLBSA-N 1 0 310.157 4.514 10 0 DJAERO [NH3+][C@H](c1cc(C(F)(F)F)ccc1Br)C1CCCC1 ZINC000019971849 182172614 /nfs/dbraw/zinc/17/26/14/182172614.db2.gz JHDOTPUZGQGBJC-LBPRGKRZSA-N 1 0 322.168 4.658 10 0 DJAERO C[C@@H]([NH2+]CCCc1ccccc1)c1cccc(Br)c1 ZINC000019991822 182174942 /nfs/dbraw/zinc/17/49/42/182174942.db2.gz DLYIGCUPWZRODH-CQSZACIVSA-N 1 0 318.258 4.733 10 0 DJAERO CC(C)c1ccc(SCc2ccc(C(N)=[NH2+])cc2F)cc1 ZINC000019996522 182175605 /nfs/dbraw/zinc/17/56/05/182175605.db2.gz XAPVUEUDFUNOGQ-UHFFFAOYSA-N 1 0 302.418 4.525 10 0 DJAERO CCC(CC)[NH2+][C@@H](c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000020012264 182178045 /nfs/dbraw/zinc/17/80/45/182178045.db2.gz HVSRCEXEBDJQGQ-GOSISDBHSA-N 1 0 303.833 4.913 10 0 DJAERO C[C@H]([NH3+])c1cc(F)ccc1Oc1cc(Cl)ccc1Cl ZINC000020015137 182178269 /nfs/dbraw/zinc/17/82/69/182178269.db2.gz CEAWNNMOCITYQN-QMMMGPOBSA-N 1 0 300.160 4.945 10 0 DJAERO CCCC[C@@H](CC)C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000020024497 182180311 /nfs/dbraw/zinc/18/03/11/182180311.db2.gz ZSVHGZRTDPPBAW-CYBMUJFWSA-N 1 0 303.368 4.891 10 0 DJAERO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(F)cc1 ZINC000020095828 182186149 /nfs/dbraw/zinc/18/61/49/182186149.db2.gz SYVBVGHVPQFITA-VIFPVBQESA-N 1 0 314.223 4.501 10 0 DJAERO CC[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(Br)cc1 ZINC000020121401 182189185 /nfs/dbraw/zinc/18/91/85/182189185.db2.gz ABICGZUGDNRSFN-BLLLJJGKSA-N 1 0 319.246 4.646 10 0 DJAERO Cc1cccc(C[NH2+][C@@H](C)c2ccccc2Br)c1 ZINC000020134057 182190760 /nfs/dbraw/zinc/19/07/60/182190760.db2.gz MXEDDUUYSZTHRS-ZDUSSCGKSA-N 1 0 304.231 4.608 10 0 DJAERO Cc1ccc(Oc2ccc(F)cc2[C@@H](C)[NH3+])c(Br)c1 ZINC000020077945 182185239 /nfs/dbraw/zinc/18/52/39/182185239.db2.gz MHWOCHRMUHJOMH-SNVBAGLBSA-N 1 0 324.193 4.709 10 0 DJAERO CC(C)CC[C@H](C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000021036960 182263211 /nfs/dbraw/zinc/26/32/11/182263211.db2.gz UUSSVRQJAMKXFW-NSHDSACASA-N 1 0 302.231 4.503 10 0 DJAERO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccccc1Br ZINC000021013856 182260833 /nfs/dbraw/zinc/26/08/33/182260833.db2.gz JKZNXWDWXQUGCM-ZIAGYGMSSA-N 1 0 318.258 4.903 10 0 DJAERO C[C@@H](C[NH2+][C@@H](C)c1ccccc1Br)c1ccccc1 ZINC000021013853 182260850 /nfs/dbraw/zinc/26/08/50/182260850.db2.gz JKZNXWDWXQUGCM-KBPBESRZSA-N 1 0 318.258 4.903 10 0 DJAERO C[C@H]([NH3+])c1ccc(Oc2cccc(Cl)c2Cl)c(F)c1 ZINC000021514908 182277369 /nfs/dbraw/zinc/27/73/69/182277369.db2.gz BRCOBVXNHFHZIR-QMMMGPOBSA-N 1 0 300.160 4.945 10 0 DJAERO CCCc1ccc([C@@H]([NH3+])c2ccc(F)cc2Br)cc1 ZINC000021520815 182278572 /nfs/dbraw/zinc/27/85/72/182278572.db2.gz NCLQWOLQQJZYTG-MRXNPFEDSA-N 1 0 322.221 4.589 10 0 DJAERO C[C@@H]1CCCC[C@@H]1[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000036842453 182847958 /nfs/dbraw/zinc/84/79/58/182847958.db2.gz FTGNCJFBGLSVQP-SGTUBPSTSA-N 1 0 322.290 4.863 10 0 DJAERO CC[C@@H]([NH3+])c1ccc(-c2ccc(Br)cc2F)s1 ZINC000036984511 182859239 /nfs/dbraw/zinc/85/92/39/182859239.db2.gz XJVUKTRXDCPCQG-LLVKDONJSA-N 1 0 314.223 4.727 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)C1CCCCC1 ZINC000037293122 182878964 /nfs/dbraw/zinc/87/89/64/182878964.db2.gz WXFYXWFDXXZYAN-UONOGXRCSA-N 1 0 324.306 4.939 10 0 DJAERO CCC[NH2+][C@H](Cc1cccc(Br)c1)C1CCCCC1 ZINC000037535902 182904858 /nfs/dbraw/zinc/90/48/58/182904858.db2.gz UYXJACYWTZMKHE-QGZVFWFLSA-N 1 0 324.306 4.940 10 0 DJAERO CC[NH2+][C@H](Cc1ccc(Br)cc1)c1cccc(C)c1 ZINC000037534401 182905067 /nfs/dbraw/zinc/90/50/67/182905067.db2.gz MRNUIFSPLBRFDS-QGZVFWFLSA-N 1 0 318.258 4.651 10 0 DJAERO C[NH+](C)CCCn1c2ccc(Cl)cc2nc1C1CCCCC1 ZINC000040404229 183062089 /nfs/dbraw/zinc/06/20/89/183062089.db2.gz GPWYUTQVAUYQIF-UHFFFAOYSA-N 1 0 319.880 4.689 10 0 DJAERO CC(C)[NH2+]Cc1cnc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000040997130 183155191 /nfs/dbraw/zinc/15/51/91/183155191.db2.gz PCHDYQSHKFQGIN-UHFFFAOYSA-N 1 0 301.242 4.615 10 0 DJAERO CCC[NH2+]Cc1cnc(-c2c(Cl)cccc2Cl)s1 ZINC000040997087 183155357 /nfs/dbraw/zinc/15/53/57/183155357.db2.gz HWZSUVGJXNEQAD-UHFFFAOYSA-N 1 0 301.242 4.617 10 0 DJAERO COc1ccc(OC)c(Nc2cc[nH+]c3c(C)c(C)ccc23)c1 ZINC000041055334 183160058 /nfs/dbraw/zinc/16/00/58/183160058.db2.gz DEGGZDOYEIHUOY-UHFFFAOYSA-N 1 0 308.381 4.612 10 0 DJAERO Cc1cccc(C[C@@H](C[NH3+])Cc2ccc(Cl)c(Cl)c2)c1 ZINC000041541362 183201410 /nfs/dbraw/zinc/20/14/10/183201410.db2.gz HBUYWYUGYCGYIO-OAHLLOKOSA-N 1 0 308.252 4.662 10 0 DJAERO Clc1cc(Cl)cc(OCC[NH2+]CC2CCCCC2)c1 ZINC000041515137 183195664 /nfs/dbraw/zinc/19/56/64/183195664.db2.gz YLOJQBIOFGSAND-UHFFFAOYSA-N 1 0 302.245 4.542 10 0 DJAERO Clc1ccc(OCC[NH2+]CC2CCCCC2)c(Cl)c1 ZINC000041515120 183195669 /nfs/dbraw/zinc/19/56/69/183195669.db2.gz DXGNYNGBMAPQPY-UHFFFAOYSA-N 1 0 302.245 4.542 10 0 DJAERO CC[C@H]([NH2+]C1CC(c2cccc(Br)c2)C1)C(C)C ZINC000042585790 183287551 /nfs/dbraw/zinc/28/75/51/183287551.db2.gz YPIQTPWHMSTFSN-BCLQGDPASA-N 1 0 310.279 4.719 10 0 DJAERO CC[C@H]([NH2+]C1CC(c2ccc(Br)cc2)C1)C(C)C ZINC000042585767 183287668 /nfs/dbraw/zinc/28/76/68/183287668.db2.gz YYPPWGHHPLSUKK-BCLQGDPASA-N 1 0 310.279 4.719 10 0 DJAERO C[C@H]([NH2+]CCc1ccsc1)c1cc(Cl)ccc1Cl ZINC000042599114 183289526 /nfs/dbraw/zinc/28/95/26/183289526.db2.gz OSAULJCSOQSAPF-JTQLQIEISA-N 1 0 300.254 4.948 10 0 DJAERO Cc1cccc(-c2cc(Nc3cc[nH+]cc3)c3ccccc3n2)n1 ZINC000042923194 183319340 /nfs/dbraw/zinc/31/93/40/183319340.db2.gz OUYYGKQETOODJA-UHFFFAOYSA-N 1 0 312.376 4.744 10 0 DJAERO CC[C@H]([NH3+])[C@@H](Sc1nc(C)cs1)c1ccc(Cl)cc1 ZINC000042950531 183320901 /nfs/dbraw/zinc/32/09/01/183320901.db2.gz PIQBNODDBHVYIT-STQMWFEESA-N 1 0 312.891 4.676 10 0 DJAERO Cc1cccc([C@H](C[NH3+])Sc2ccc(Br)cc2)c1 ZINC000042970132 183324362 /nfs/dbraw/zinc/32/43/62/183324362.db2.gz ZQOZVVZPQAEORU-HNNXBMFYSA-N 1 0 322.271 4.550 10 0 DJAERO Cc1ccc(S[C@@H](C[NH3+])c2cccc(Br)c2)cc1 ZINC000043024263 183331282 /nfs/dbraw/zinc/33/12/82/183331282.db2.gz OLJDJIGUUFKCFC-HNNXBMFYSA-N 1 0 322.271 4.550 10 0 DJAERO [NH3+]C[C@H](SC1CCCCC1)c1ccccc1Br ZINC000043096368 183337412 /nfs/dbraw/zinc/33/74/12/183337412.db2.gz GJEHDDLCSRREPK-AWEZNQCLSA-N 1 0 314.292 4.515 10 0 DJAERO CC[C@H]([NH3+])[C@@H](SCC(C)C)c1ccccc1Br ZINC000043096179 183337694 /nfs/dbraw/zinc/33/76/94/183337694.db2.gz HTJUCHRDJPPOMM-KBPBESRZSA-N 1 0 316.308 4.617 10 0 DJAERO C[C@H]([NH3+])[C@H](Oc1cccc(Cl)c1Cl)c1cccs1 ZINC000043110135 183338397 /nfs/dbraw/zinc/33/83/97/183338397.db2.gz MGGQAVMSIQPVSL-SDBXPKJASA-N 1 0 302.226 4.522 10 0 DJAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(Cl)cc1Cl)c1cccs1 ZINC000043108641 183338464 /nfs/dbraw/zinc/33/84/64/183338464.db2.gz WTAWZBLGIFTMAH-RISCZKNCSA-N 1 0 316.253 4.912 10 0 DJAERO CC[C@@H]([NH3+])[C@H](Sc1nc(C)cs1)c1ccccc1Cl ZINC000043089447 183335053 /nfs/dbraw/zinc/33/50/53/183335053.db2.gz DJQIABBRIFCMDO-CHWSQXEVSA-N 1 0 312.891 4.676 10 0 DJAERO CCC[NH2+][C@H](Cc1cccc(C)c1)c1ccc(Br)o1 ZINC000052127562 183851383 /nfs/dbraw/zinc/85/13/83/183851383.db2.gz CFMJQXREJBLAIQ-CQSZACIVSA-N 1 0 322.246 4.634 10 0 DJAERO CCOc1c(Cl)cc(C[NH2+]Cc2cccs2)cc1Cl ZINC000059585070 184139640 /nfs/dbraw/zinc/13/96/40/184139640.db2.gz ZDLJKLYORGPQPO-UHFFFAOYSA-N 1 0 316.253 4.743 10 0 DJAERO CCC[NH2+][C@H](C)c1ccc(OC(C)(C)C)c(Br)c1 ZINC000061699242 184183892 /nfs/dbraw/zinc/18/38/92/184183892.db2.gz RIFBBNYEHWTFPM-LLVKDONJSA-N 1 0 314.267 4.687 10 0 DJAERO COc1cc2[nH+]ccc(Nc3cccc(Cl)c3)c2cc1OC ZINC000065005239 184308517 /nfs/dbraw/zinc/30/85/17/184308517.db2.gz WCJLAKHSUPDJNS-UHFFFAOYSA-N 1 0 314.772 4.649 10 0 DJAERO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccc(Cl)cn1 ZINC000274857649 130267665 /nfs/dbraw/zinc/26/76/65/130267665.db2.gz CJBAAPSOPOZRKP-GRZMOONWSA-N 1 0 306.759 4.507 10 0 DJAERO CCc1ccc(C[NH2+][C@H](C)c2cccc(Br)c2)cc1 ZINC000035231352 331488454 /nfs/dbraw/zinc/48/84/54/331488454.db2.gz UWXGQIPYWUMXQJ-CYBMUJFWSA-N 1 0 318.258 4.862 10 0 DJAERO CC[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(Cl)cc1 ZINC000036979186 331530972 /nfs/dbraw/zinc/53/09/72/331530972.db2.gz INUGURVDLOSSMD-DLBZAZTESA-N 1 0 301.817 4.905 10 0 DJAERO Cc1noc(C)c1CC[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000180499867 331570913 /nfs/dbraw/zinc/57/09/13/331570913.db2.gz MPUWQLHDAZZZTB-OAQYLSRUSA-N 1 0 320.436 4.522 10 0 DJAERO Cc1cc(C[NH2+][C@H](C)c2cccc(Br)c2)cs1 ZINC000310325325 331765570 /nfs/dbraw/zinc/76/55/70/331765570.db2.gz YOLUYBMTFPXXSM-LLVKDONJSA-N 1 0 310.260 4.670 10 0 DJAERO Cc1nc(C)c([C@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000178000898 333000944 /nfs/dbraw/zinc/00/09/44/333000944.db2.gz TYSVXRXTXLFLPC-WFASDCNBSA-N 1 0 316.470 4.713 10 0 DJAERO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000178000881 333001006 /nfs/dbraw/zinc/00/10/06/333001006.db2.gz TYSVXRXTXLFLPC-SWLSCSKDSA-N 1 0 316.470 4.713 10 0 DJAERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000020209645 333286224 /nfs/dbraw/zinc/28/62/24/333286224.db2.gz NFINNBDEQSAQLJ-LLVKDONJSA-N 1 0 324.649 4.953 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(Br)ccc32)o1 ZINC000040227004 333341571 /nfs/dbraw/zinc/34/15/71/333341571.db2.gz ZQGYNBMAULFTIR-ABAIWWIYSA-N 1 0 320.230 4.689 10 0 DJAERO CCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000050198758 334374137 /nfs/dbraw/zinc/37/41/37/334374137.db2.gz JJCUTLWJUSWPIP-CQSZACIVSA-N 1 0 303.833 4.980 10 0 DJAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2)cc1C ZINC000042352384 336239608 /nfs/dbraw/zinc/23/96/08/336239608.db2.gz QZPLRRLYSIGKHH-AWEZNQCLSA-N 1 0 318.258 4.917 10 0 DJAERO Cc1ccc(C)c(C[NH2+][C@@H](C)c2cccc(Br)c2)c1 ZINC000042361195 336239781 /nfs/dbraw/zinc/23/97/81/336239781.db2.gz VBWXDLCCWFVPNF-AWEZNQCLSA-N 1 0 318.258 4.917 10 0 DJAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000192706618 336259105 /nfs/dbraw/zinc/25/91/05/336259105.db2.gz WYUDDOCYQAILJX-HNAYVOBHSA-N 1 0 311.425 4.648 10 0 DJAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000192793108 336261970 /nfs/dbraw/zinc/26/19/70/336261970.db2.gz AFQRLZYSOHJVMN-WBMJQRKESA-N 1 0 321.342 4.880 10 0 DJAERO CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000192794798 336262041 /nfs/dbraw/zinc/26/20/41/336262041.db2.gz SKXHMLAIWPFXPU-DNVCBOLYSA-N 1 0 311.425 4.650 10 0 DJAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000193002688 336286855 /nfs/dbraw/zinc/28/68/55/336286855.db2.gz MRBGOBOKYITRTB-PBHICJAKSA-N 1 0 307.393 4.916 10 0 DJAERO Cc1cc(NC[C@@H]2CCO[C@@H]2c2ccccc2)c2ccccc2[nH+]1 ZINC000301426022 336305895 /nfs/dbraw/zinc/30/58/95/336305895.db2.gz PBCBMBMVNZQUPH-LAUBAEHRSA-N 1 0 318.420 4.733 10 0 DJAERO Cc1cccc2c(NCc3coc(-c4ccccc4)n3)cc[nH+]c12 ZINC000301663751 336321747 /nfs/dbraw/zinc/32/17/47/336321747.db2.gz KRENLCCLZQBXON-UHFFFAOYSA-N 1 0 315.376 4.810 10 0 DJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc(Br)cs2)o1 ZINC000193947856 337080783 /nfs/dbraw/zinc/08/07/83/337080783.db2.gz WUVLXZHDBBBNHY-VHSXEESVSA-N 1 0 314.248 4.824 10 0 DJAERO Cc1cc(C)c2c(c1)[C@H]([NH2+][C@@H]1CCOc3ccccc31)CCCO2 ZINC000178277375 337161934 /nfs/dbraw/zinc/16/19/34/337161934.db2.gz ANCOLIAYTMBEIJ-RTBURBONSA-N 1 0 323.436 4.631 10 0 DJAERO Fc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[C@@H](C(F)(F)F)C3)cc1 ZINC000584624952 337375289 /nfs/dbraw/zinc/37/52/89/337375289.db2.gz RPLIZPPYRXCFMZ-ZBFHGGJFSA-N 1 0 315.354 4.770 10 0 DJAERO CCCC[C@@](C=C=C(C)C)(CC)C[NH2+][C@@H]1CCCN(CC)C1 ZINC000584631758 337377076 /nfs/dbraw/zinc/37/70/76/337377076.db2.gz TUFCVMXDTROWFI-WOJBJXKFSA-N 1 0 306.538 4.768 10 0 DJAERO CC1(C)C[C@@H]([NH2+]Cc2ccc(Cl)s2)c2ccccc2O1 ZINC000152994945 338215309 /nfs/dbraw/zinc/21/53/09/338215309.db2.gz WDZZFUNYPKVMQH-CYBMUJFWSA-N 1 0 307.846 4.794 10 0 DJAERO Cc1cncc([C@H](C)[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)c1 ZINC000184388653 340492606 /nfs/dbraw/zinc/49/26/06/340492606.db2.gz NLYDPKHPOMGFKH-SJORKVTESA-N 1 0 312.457 4.837 10 0 DJAERO COCCCCC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000222980598 340542669 /nfs/dbraw/zinc/54/26/69/340542669.db2.gz CDWAJMDTCLHAQI-JTQLQIEISA-N 1 0 308.224 4.600 10 0 DJAERO CC(C)[C@@H](C)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000037248449 340779774 /nfs/dbraw/zinc/77/97/74/340779774.db2.gz WTZXLWIPDJQDKB-GFCCVEGCSA-N 1 0 300.427 4.690 10 0 DJAERO CCCOc1cccc(C[NH2+][C@H](C)c2ccccc2Cl)c1 ZINC000037996735 340788997 /nfs/dbraw/zinc/78/89/97/340788997.db2.gz ROHCMKQABYBNRI-CQSZACIVSA-N 1 0 303.833 4.980 10 0 DJAERO COc1ccccc1[C@@H](C)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000128941709 340930140 /nfs/dbraw/zinc/93/01/40/340930140.db2.gz KDFTVWJGKNZGMU-PBHICJAKSA-N 1 0 311.425 4.648 10 0 DJAERO COc1cccc([C@@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000128961546 340931952 /nfs/dbraw/zinc/93/19/52/340931952.db2.gz LQXUHTANSYZUKA-RDTXWAMCSA-N 1 0 311.425 4.648 10 0 DJAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)cc1OC ZINC000074335241 341144139 /nfs/dbraw/zinc/14/41/39/341144139.db2.gz STMFKOUBEGGMSK-QWHCGFSZSA-N 1 0 319.832 4.769 10 0 DJAERO Cc1ccccc1[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000245896801 341317633 /nfs/dbraw/zinc/31/76/33/341317633.db2.gz DDVKWLMGEYUFMY-SHJAMOMRSA-N 1 0 309.453 4.630 10 0 DJAERO Cc1ccccc1[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000245896803 341317642 /nfs/dbraw/zinc/31/76/42/341317642.db2.gz DDVKWLMGEYUFMY-XGHQBKJUSA-N 1 0 309.453 4.630 10 0 DJAERO Cc1c([C@@H](C)[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)cnn1C(C)C ZINC000248711218 341384932 /nfs/dbraw/zinc/38/49/32/341384932.db2.gz QBZSZEVCXKPPEZ-STXHMFSFSA-N 1 0 311.473 4.665 10 0 DJAERO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)cc1 ZINC000181912241 519733038 /nfs/dbraw/zinc/73/30/38/519733038.db2.gz YHVWLKKSPYNWLQ-OLZOCXBDSA-N 1 0 316.832 4.710 10 0 DJAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)cc1 ZINC000182165546 519733871 /nfs/dbraw/zinc/73/38/71/519733871.db2.gz NWGRTAQVHJAYLS-LRAJWGHMSA-N 1 0 322.452 4.934 10 0 DJAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)cc1 ZINC000182224336 519733984 /nfs/dbraw/zinc/73/39/84/519733984.db2.gz IOYITQMUHSGLBW-GXZWQRSESA-N 1 0 322.452 4.538 10 0 DJAERO COc1cc([C@H](C)[NH2+][C@H](C)c2cccs2)ccc1SC ZINC000178176924 522947987 /nfs/dbraw/zinc/94/79/87/522947987.db2.gz LMHWGMCJZBIMIZ-NWDGAFQWSA-N 1 0 307.484 4.890 10 0 DJAERO Cc1c(C[NH2+]C2CC2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315643 563356359 /nfs/dbraw/zinc/35/63/59/563356359.db2.gz HTQBVOZXEJCVES-UHFFFAOYSA-N 1 0 324.855 4.903 10 0 DJAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]C(C)C)o1 ZINC000010436379 563356862 /nfs/dbraw/zinc/35/68/62/563356862.db2.gz DYOVMMODVPOEPB-UHFFFAOYSA-N 1 0 308.219 4.516 10 0 DJAERO c1cc(C[NH2+]Cc2ccc3[nH]c4c(c3c2)CCCCCC4)ccn1 ZINC000012208601 563364741 /nfs/dbraw/zinc/36/47/41/563364741.db2.gz DYVLBIKOHLGQMX-UHFFFAOYSA-N 1 0 319.452 4.512 10 0 DJAERO CCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1Cl ZINC000013721482 563387479 /nfs/dbraw/zinc/38/74/79/563387479.db2.gz OHKCGOMSVPGNQP-UHFFFAOYSA-N 1 0 324.251 4.724 10 0 DJAERO COc1ccc(-c2ccc(C[NH2+]CCC(C)C)o2)cc1Cl ZINC000013724410 563387921 /nfs/dbraw/zinc/38/79/21/563387921.db2.gz JUATWRUXGUAPMJ-UHFFFAOYSA-N 1 0 307.821 4.744 10 0 DJAERO CCOc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1Cl ZINC000013726701 563388134 /nfs/dbraw/zinc/38/81/34/563388134.db2.gz WURDBHKGVDPZIU-OAHLLOKOSA-N 1 0 317.860 4.850 10 0 DJAERO CCC(C)(C)[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000013724662 563388239 /nfs/dbraw/zinc/38/82/39/563388239.db2.gz ZPBJTGXQFCJUPL-UHFFFAOYSA-N 1 0 301.405 4.683 10 0 DJAERO CC[NH2+]Cc1ccccc1OCc1c(Cl)cccc1Cl ZINC000033454441 563770324 /nfs/dbraw/zinc/77/03/24/563770324.db2.gz BSYXFYUTZYYDJG-UHFFFAOYSA-N 1 0 310.224 4.682 10 0 DJAERO CCC[NH2+]Cc1sc(-c2ccccc2Cl)nc1CCC ZINC000082427040 185180970 /nfs/dbraw/zinc/18/09/70/185180970.db2.gz RYRFDILGCLBQBM-UHFFFAOYSA-N 1 0 308.878 4.916 10 0 DJAERO Cc1ccc(-c2nc(C(C)(C)C)c(C[NH2+]C(C)C)s2)cc1 ZINC000082439085 185182745 /nfs/dbraw/zinc/18/27/45/185182745.db2.gz VMOICYSRHNLYLD-UHFFFAOYSA-N 1 0 302.487 4.914 10 0 DJAERO Cc1ccc([C@@H](C[NH3+])Sc2ccccc2Br)cc1 ZINC000042907593 190672006 /nfs/dbraw/zinc/67/20/06/190672006.db2.gz HKRHWOQQZCNYQY-OAHLLOKOSA-N 1 0 322.271 4.550 10 0 DJAERO CCOc1ccccc1Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000004923606 181173734 /nfs/dbraw/zinc/17/37/34/181173734.db2.gz HUSNFJGVKJNUCS-UHFFFAOYSA-N 1 0 304.393 4.866 10 0 DJAERO CC[N+]1=C(c2ccccc2)C(c2ccccc2)=NC1(CC)CC ZINC000005307853 181228496 /nfs/dbraw/zinc/22/84/96/181228496.db2.gz MAYKGHCIWFQZST-UHFFFAOYSA-N 1 0 305.445 4.527 10 0 DJAERO C[n+]1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1 ZINC000005330480 181230147 /nfs/dbraw/zinc/23/01/47/181230147.db2.gz GOXIDUCHMOERFE-UHFFFAOYSA-N 1 0 323.419 4.907 10 0 DJAERO CC[NH+](CC)CCCCCOc1cccc(Cl)c1Cl ZINC000005794533 181284284 /nfs/dbraw/zinc/28/42/84/181284284.db2.gz JDXSDUZBCBQTCC-UHFFFAOYSA-N 1 0 304.261 4.884 10 0 DJAERO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2cncn2C2CCCC2)C1 ZINC000091445273 193057026 /nfs/dbraw/zinc/05/70/26/193057026.db2.gz QCSFEANHQDKXNK-OAQYLSRUSA-N 1 0 323.484 4.552 10 0 DJAERO C[C@]1(c2ccccc2)CCC[N@H+](Cc2cncn2C2CCCC2)C1 ZINC000091445272 193056572 /nfs/dbraw/zinc/05/65/72/193056572.db2.gz QCSFEANHQDKXNK-NRFANRHFSA-N 1 0 323.484 4.552 10 0 DJAERO NC(=[NH2+])c1ccc(CSc2cc(Cl)ccc2Cl)cc1 ZINC000019230966 182109531 /nfs/dbraw/zinc/10/95/31/182109531.db2.gz LJMJGOHTCLXFGB-UHFFFAOYSA-N 1 0 311.237 4.570 10 0 DJAERO CC[N@H+]([C@@H](CN)c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000019230817 182109636 /nfs/dbraw/zinc/10/96/36/182109636.db2.gz WQHDZTDRFIEOMQ-INIZCTEOSA-N 1 0 315.288 4.648 10 0 DJAERO CC(C)(C)c1ccc(O[C@@H](C[NH3+])c2cccc(Cl)c2)cc1 ZINC000019671254 182135019 /nfs/dbraw/zinc/13/50/19/182135019.db2.gz KRXWNBJKWMBYGX-KRWDZBQOSA-N 1 0 303.833 4.716 10 0 DJAERO Cc1cc(O[C@H](C[NH3+])c2cccc(Cl)c2)cc(C)c1Cl ZINC000019671384 182135070 /nfs/dbraw/zinc/13/50/70/182135070.db2.gz WKZPDVFLQBFSGI-OAHLLOKOSA-N 1 0 310.224 4.689 10 0 DJAERO C[C@H]([NH2+]C1CCCC1)c1cc2cc(Br)ccc2o1 ZINC000019883581 182160192 /nfs/dbraw/zinc/16/01/92/182160192.db2.gz BKQQVFMAUZEVNP-JTQLQIEISA-N 1 0 308.219 4.789 10 0 DJAERO CC[C@H](C)[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019971878 182172426 /nfs/dbraw/zinc/17/24/26/182172426.db2.gz CFLHOMIZMFNMOA-WRWORJQWSA-N 1 0 310.157 4.514 10 0 DJAERO C[C@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000020121856 182189251 /nfs/dbraw/zinc/18/92/51/182189251.db2.gz OARMFROPVRCEAT-NSHDSACASA-N 1 0 324.649 4.953 10 0 DJAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1Br ZINC000020129777 182189672 /nfs/dbraw/zinc/18/96/72/182189672.db2.gz XSSFXMSGTDWUKQ-SJKOYZFVSA-N 1 0 316.242 4.787 10 0 DJAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1cccc(Br)c1 ZINC000020129716 182190276 /nfs/dbraw/zinc/19/02/76/182190276.db2.gz GYVLTUFUBDWOIL-SJKOYZFVSA-N 1 0 316.242 4.787 10 0 DJAERO [NH3+]Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1 ZINC000020184380 182194857 /nfs/dbraw/zinc/19/48/57/182194857.db2.gz VTJGFRPQZALGMT-UHFFFAOYSA-N 1 0 300.814 4.589 10 0 DJAERO Cc1cccc2cc([C@H]([NH3+])c3ccc(Br)cc3)oc21 ZINC000020389227 182213331 /nfs/dbraw/zinc/21/33/31/182213331.db2.gz GUYWJLXFILWQGP-OAHLLOKOSA-N 1 0 316.198 4.552 10 0 DJAERO [NH3+][C@H](Cc1c(F)cccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000020425915 182215587 /nfs/dbraw/zinc/21/55/87/182215587.db2.gz NFMBQWCUQIUEMP-CQSZACIVSA-N 1 0 317.713 4.740 10 0 DJAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000020563557 182232557 /nfs/dbraw/zinc/23/25/57/182232557.db2.gz ASDKPEGRCDXBEA-INIZCTEOSA-N 1 0 309.240 4.520 10 0 DJAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000020522898 182227019 /nfs/dbraw/zinc/22/70/19/182227019.db2.gz SFGCAHSPYBXDLK-MNOVXSKESA-N 1 0 310.235 4.890 10 0 DJAERO Clc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000020551356 182230382 /nfs/dbraw/zinc/23/03/82/182230382.db2.gz YKVPAHPZQVNMTR-UHFFFAOYSA-N 1 0 314.643 4.979 10 0 DJAERO CCCOc1ccc(Br)cc1C[NH2+]C(C)(C)CC ZINC000020929523 182254470 /nfs/dbraw/zinc/25/44/70/182254470.db2.gz ZLEWJWBJNUZZNZ-UHFFFAOYSA-N 1 0 314.267 4.516 10 0 DJAERO CCCOc1ccc(Cl)cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000020928738 182254651 /nfs/dbraw/zinc/25/46/51/182254651.db2.gz WMLGDXWLNXWRPX-AWEZNQCLSA-N 1 0 303.833 4.980 10 0 DJAERO CCCOc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1Cl ZINC000020925575 182254661 /nfs/dbraw/zinc/25/46/61/182254661.db2.gz SZEXSEJNZXAKKP-UHFFFAOYSA-N 1 0 321.823 4.600 10 0 DJAERO CC[C@H](C)[NH2+]Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000020875791 182251431 /nfs/dbraw/zinc/25/14/31/182251431.db2.gz NCQRPUDZMLOZPL-LBPRGKRZSA-N 1 0 322.246 4.906 10 0 DJAERO C[C@H](C[NH2+][C@@H](C)c1ccccc1Br)c1ccccc1 ZINC000021013854 182260587 /nfs/dbraw/zinc/26/05/87/182260587.db2.gz JKZNXWDWXQUGCM-KGLIPLIRSA-N 1 0 318.258 4.903 10 0 DJAERO CCCc1ccc([C@@H]([NH3+])c2cc(F)ccc2Br)cc1 ZINC000021028726 182262473 /nfs/dbraw/zinc/26/24/73/182262473.db2.gz UCDYQZKJHVQBJY-MRXNPFEDSA-N 1 0 322.221 4.589 10 0 DJAERO CCN([C@@H](C[NH3+])c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000021041558 182262687 /nfs/dbraw/zinc/26/26/87/182262687.db2.gz LCKQJEFBEHMGHP-INIZCTEOSA-N 1 0 315.288 4.648 10 0 DJAERO CCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000032209220 182638132 /nfs/dbraw/zinc/63/81/32/182638132.db2.gz ZMTBKQOIJFGLND-UHFFFAOYSA-N 1 0 307.796 4.558 10 0 DJAERO CCCC[C@H]([NH3+])c1nc2cc(Br)ccc2n1C(C)C ZINC000037441743 182894369 /nfs/dbraw/zinc/89/43/69/182894369.db2.gz XIGLEXPYJBHSHE-LBPRGKRZSA-N 1 0 324.266 4.570 10 0 DJAERO Cc1cc(NCc2cccnc2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570856 183103685 /nfs/dbraw/zinc/10/36/85/183103685.db2.gz CQNCEPWWMPVIKR-UHFFFAOYSA-N 1 0 317.314 4.569 10 0 DJAERO CCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000040722815 183124483 /nfs/dbraw/zinc/12/44/83/183124483.db2.gz FDOANTQEYQZIDN-UHFFFAOYSA-N 1 0 307.796 4.558 10 0 DJAERO CC(C)(C)[NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000040728084 183125370 /nfs/dbraw/zinc/12/53/70/183125370.db2.gz GANSWFSJAMYFJL-UHFFFAOYSA-N 1 0 303.833 4.807 10 0 DJAERO CC(=O)Nc1ccc(Nc2cc[nH+]c3c(C)cc(C)cc23)cc1 ZINC000041054987 183159445 /nfs/dbraw/zinc/15/94/45/183159445.db2.gz BVZIAGRVKFLIGS-UHFFFAOYSA-N 1 0 305.381 4.554 10 0 DJAERO COc1ccc(Nc2cc[nH+]c3c(C)c(C)ccc23)c(OC)c1 ZINC000041055346 183160441 /nfs/dbraw/zinc/16/04/41/183160441.db2.gz KNBFVJYHBMCYAK-UHFFFAOYSA-N 1 0 308.381 4.612 10 0 DJAERO CC(C)c1ccc(C[C@@H](C[NH3+])Cc2cccc(Cl)c2)cc1 ZINC000041514778 183195962 /nfs/dbraw/zinc/19/59/62/183195962.db2.gz LBIJGJFKWOPDRO-QGZVFWFLSA-N 1 0 301.861 4.824 10 0 DJAERO Cc1cc(C)c(C[C@H](C[NH3+])Cc2cccc(Cl)c2)c(C)c1 ZINC000041514793 183196037 /nfs/dbraw/zinc/19/60/37/183196037.db2.gz AMIIRFDXKZUEFA-QGZVFWFLSA-N 1 0 301.861 4.625 10 0 DJAERO Cc1ccccc1C[C@H](C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000041541345 183201377 /nfs/dbraw/zinc/20/13/77/183201377.db2.gz MJJRPNNULYUCPE-ZDUSSCGKSA-N 1 0 308.252 4.662 10 0 DJAERO CC[C@@H](C)[C@@H](C)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000042553542 183283941 /nfs/dbraw/zinc/28/39/41/183283941.db2.gz ZWVVBGKJHISISO-LGTQLRDQSA-N 1 0 310.279 4.719 10 0 DJAERO CC[C@@H](C)[C@H](C)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000042553501 183284196 /nfs/dbraw/zinc/28/41/96/183284196.db2.gz IBNGWNYNUJPZBX-SOURHHEESA-N 1 0 310.279 4.719 10 0 DJAERO C[C@H]([NH2+]CCc1ccsc1)c1ccc(Cl)c(Cl)c1 ZINC000042599735 183289722 /nfs/dbraw/zinc/28/97/22/183289722.db2.gz MQBGCKADAGVNTB-JTQLQIEISA-N 1 0 300.254 4.948 10 0 DJAERO CCC[NH2+][C@@H](c1sccc1C)c1ccccc1Br ZINC000042730252 183302917 /nfs/dbraw/zinc/30/29/17/183302917.db2.gz FDJYVDNXWSVCHJ-CQSZACIVSA-N 1 0 324.287 4.908 10 0 DJAERO CCC[NH2+][C@H](c1sccc1C)c1ccccc1Br ZINC000042730249 183303095 /nfs/dbraw/zinc/30/30/95/183303095.db2.gz FDJYVDNXWSVCHJ-AWEZNQCLSA-N 1 0 324.287 4.908 10 0 DJAERO [NH3+]C[C@H](Oc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000042948353 183320616 /nfs/dbraw/zinc/32/06/16/183320616.db2.gz SWRMXQUOSHVWLL-AWEZNQCLSA-N 1 0 316.615 4.726 10 0 DJAERO [NH3+]C[C@@H](SC1CCCCC1)c1cccc(Br)c1 ZINC000043025095 183331420 /nfs/dbraw/zinc/33/14/20/183331420.db2.gz SEWFMWQSOBIUAY-CQSZACIVSA-N 1 0 314.292 4.515 10 0 DJAERO [NH3+]C[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1F ZINC000043049166 183331817 /nfs/dbraw/zinc/33/18/17/183331817.db2.gz XVTSHNQNEDSBKS-AWEZNQCLSA-N 1 0 316.228 4.925 10 0 DJAERO CC[C@H]([NH3+])[C@H](Oc1ccc(Cl)cc1Cl)c1cccs1 ZINC000043108637 183337982 /nfs/dbraw/zinc/33/79/82/183337982.db2.gz WTAWZBLGIFTMAH-FZMZJTMJSA-N 1 0 316.253 4.912 10 0 DJAERO CC[C@H]([NH3+])[C@@H](Oc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000043111710 183338054 /nfs/dbraw/zinc/33/80/54/183338054.db2.gz CWYNCIMDDWXZEU-GXTWGEPZSA-N 1 0 316.253 4.912 10 0 DJAERO C[C@H]([NH3+])[C@H](Oc1ccc(Cl)cc1Cl)c1cccs1 ZINC000043108623 183338198 /nfs/dbraw/zinc/33/81/98/183338198.db2.gz QTCSLNYAVSYJGH-SDBXPKJASA-N 1 0 302.226 4.522 10 0 DJAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000043111959 183338263 /nfs/dbraw/zinc/33/82/63/183338263.db2.gz MSZUJULLBGPSEY-OCCSQVGLSA-N 1 0 316.253 4.912 10 0 DJAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000043111967 183338469 /nfs/dbraw/zinc/33/84/69/183338469.db2.gz MSZUJULLBGPSEY-TZMCWYRMSA-N 1 0 316.253 4.912 10 0 DJAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1Cl)c1cccs1 ZINC000043108633 183338526 /nfs/dbraw/zinc/33/85/26/183338526.db2.gz QTCSLNYAVSYJGH-AMIZOPFISA-N 1 0 302.226 4.522 10 0 DJAERO CC(C)(C)c1ccc([C@@H](C[NH3+])Nc2ccccc2Cl)cc1 ZINC000057631201 184043053 /nfs/dbraw/zinc/04/30/53/184043053.db2.gz SDVZGQKDWLEWBL-QGZVFWFLSA-N 1 0 302.849 4.749 10 0 DJAERO [NH3+][C@@H](Cc1ccc(Cl)s1)Cc1c(Cl)cccc1Cl ZINC000060701506 184154555 /nfs/dbraw/zinc/15/45/55/184154555.db2.gz ROIJVTFFDJLHHK-QMMMGPOBSA-N 1 0 320.672 4.821 10 0 DJAERO CCN(c1ccccc1)c1ccc([C@H](C)[NH3+])cc1Br ZINC000061694351 184183257 /nfs/dbraw/zinc/18/32/57/184183257.db2.gz FNTZLTSLDGJLQX-LBPRGKRZSA-N 1 0 319.246 4.627 10 0 DJAERO C[C@H]([NH3+])c1ccc(Oc2ccc(F)cc2Cl)c(Cl)c1 ZINC000061699481 184183863 /nfs/dbraw/zinc/18/38/63/184183863.db2.gz RCECAOIQQCCAOZ-QMMMGPOBSA-N 1 0 300.160 4.945 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1)c1ccc(Br)s1 ZINC000062184752 184216053 /nfs/dbraw/zinc/21/60/53/184216053.db2.gz VGDFKIYXTMJZLI-NWDGAFQWSA-N 1 0 324.287 4.792 10 0 DJAERO Cc1cc(Br)cc2c1oc(C[NH3+])c2-c1ccccc1 ZINC000063061871 184268563 /nfs/dbraw/zinc/26/85/63/184268563.db2.gz OFJLQWUQGJMBBH-UHFFFAOYSA-N 1 0 316.198 4.629 10 0 DJAERO C[C@H]([NH2+]C1CCSCC1)c1c(Cl)ccc(F)c1Cl ZINC000132137342 332103633 /nfs/dbraw/zinc/10/36/33/332103633.db2.gz ITNPUFNSDOVPOJ-QMMMGPOBSA-N 1 0 308.249 4.679 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ccc(Cl)c(Cl)c1 ZINC000092195296 332116351 /nfs/dbraw/zinc/11/63/51/332116351.db2.gz ZHTQGQJIADWDGB-ZJUUUORDSA-N 1 0 313.203 4.939 10 0 DJAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000151719097 332606690 /nfs/dbraw/zinc/60/66/90/332606690.db2.gz ZWYSDJBVCCUITD-SJORKVTESA-N 1 0 305.425 4.593 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(F)cc(F)c1 ZINC000228322723 333176613 /nfs/dbraw/zinc/17/66/13/333176613.db2.gz SZELFSLCGMUDOG-DRCTWCGVSA-N 1 0 307.306 4.737 10 0 DJAERO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000020209647 333286130 /nfs/dbraw/zinc/28/61/30/333286130.db2.gz NFINNBDEQSAQLJ-NSHDSACASA-N 1 0 324.649 4.953 10 0 DJAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000390560370 333300836 /nfs/dbraw/zinc/30/08/36/333300836.db2.gz LJORNTWMNYFEET-CHWSQXEVSA-N 1 0 309.862 4.657 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc21)c1cccs1 ZINC000040226623 333341619 /nfs/dbraw/zinc/34/16/19/333341619.db2.gz BEJGSIHNPIZXDV-IINYFYTJSA-N 1 0 322.271 4.849 10 0 DJAERO CC(C)Oc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)c1 ZINC000040444246 333353270 /nfs/dbraw/zinc/35/32/70/333353270.db2.gz HYLJHCZJNFWGQH-AWEZNQCLSA-N 1 0 303.833 4.978 10 0 DJAERO COCc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)ccc1OC ZINC000123382024 333468415 /nfs/dbraw/zinc/46/84/15/333468415.db2.gz QAQXTAQEBRAYIB-CVEARBPZSA-N 1 0 313.441 4.562 10 0 DJAERO Cc1ccc2cc(C[NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)ccc2n1 ZINC000187640041 334266383 /nfs/dbraw/zinc/26/63/83/334266383.db2.gz RGXVCUXFLSDQOJ-HOTGVXAUSA-N 1 0 322.374 4.754 10 0 DJAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1c(Cl)ccc(F)c1Cl ZINC000388869273 335593060 /nfs/dbraw/zinc/59/30/60/335593060.db2.gz LBVNLEKYFQCCNR-DCAQKATOSA-N 1 0 320.235 4.598 10 0 DJAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000192793074 336261898 /nfs/dbraw/zinc/26/18/98/336261898.db2.gz AFQRLZYSOHJVMN-MLGOLLRUSA-N 1 0 321.342 4.880 10 0 DJAERO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000193002674 336286828 /nfs/dbraw/zinc/28/68/28/336286828.db2.gz MRBGOBOKYITRTB-WMLDXEAASA-N 1 0 307.393 4.916 10 0 DJAERO Clc1ccc([C@@H]([NH2+][C@@H]2CCOc3ccccc32)C2CC2)cc1 ZINC000193003051 336286905 /nfs/dbraw/zinc/28/69/05/336286905.db2.gz JROKMSPZJGPCII-MJGOQNOKSA-N 1 0 313.828 4.905 10 0 DJAERO CCc1cnc([C@@H](C)Nc2cc(C)[nH+]c3ccc(F)cc23)s1 ZINC000301683017 336323176 /nfs/dbraw/zinc/32/31/76/336323176.db2.gz SPVXUILLLPTAJV-LLVKDONJSA-N 1 0 315.417 4.874 10 0 DJAERO Cc1cccc2c(N3C[C@H](C)O[C@@H](c4ccsc4)C3)cc[nH+]c12 ZINC000301721588 336325562 /nfs/dbraw/zinc/32/55/62/336325562.db2.gz QRCKSZHBYXPOFA-KBXCAEBGSA-N 1 0 324.449 4.571 10 0 DJAERO Cc1cccc2c(N[C@@H]3CCO[C@H](c4ccccc4)C3)cc[nH+]c12 ZINC000302165584 336351936 /nfs/dbraw/zinc/35/19/36/336351936.db2.gz JEEMVGHHJIPYFR-XLIONFOSSA-N 1 0 318.420 4.875 10 0 DJAERO Cc1cccc2c(N[C@H]3CCO[C@@H](c4ccccc4)C3)cc[nH+]c12 ZINC000302165582 336351944 /nfs/dbraw/zinc/35/19/44/336351944.db2.gz JEEMVGHHJIPYFR-FXAWDEMLSA-N 1 0 318.420 4.875 10 0 DJAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccc(Br)cc32)o1 ZINC000193158992 336619701 /nfs/dbraw/zinc/61/97/01/336619701.db2.gz ZOJWTCTWHIKCBF-XHDPSFHLSA-N 1 0 320.230 4.689 10 0 DJAERO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2C)cc1OC ZINC000193900338 337080032 /nfs/dbraw/zinc/08/00/32/337080032.db2.gz IEKPWANAGOYVJL-JKSUJKDBSA-N 1 0 313.441 4.732 10 0 DJAERO CSc1ccc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)cc1F ZINC000178273879 337161794 /nfs/dbraw/zinc/16/17/94/337161794.db2.gz FHYURMYHADJPOA-WBMJQRKESA-N 1 0 317.429 4.722 10 0 DJAERO CSc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)cc1F ZINC000178273849 337161902 /nfs/dbraw/zinc/16/19/02/337161902.db2.gz FHYURMYHADJPOA-MLGOLLRUSA-N 1 0 317.429 4.722 10 0 DJAERO Cc1cc2c(cc1C)[C@H]([NH2+][C@H]1CCOc3ccccc31)CCCO2 ZINC000178275213 337162034 /nfs/dbraw/zinc/16/20/34/337162034.db2.gz ZFTRWGLDOGKVMJ-MOPGFXCFSA-N 1 0 323.436 4.631 10 0 DJAERO COc1ccccc1[C@H](C)N[C@@H](c1ccccc1)c1cccnc1 ZINC000178609198 337165478 /nfs/dbraw/zinc/16/54/78/337165478.db2.gz JKXCBZCOBAZPQH-KKSFZXQISA-N 1 0 318.420 4.530 10 0 DJAERO C[C@H](CN1c2ccccc2CSc2ccccc21)C[NH+](C)C ZINC000584601777 337370989 /nfs/dbraw/zinc/37/09/89/337370989.db2.gz AYBZSDWMUSHFBR-HNNXBMFYSA-N 1 0 312.482 4.628 10 0 DJAERO C[NH+](C)CC(C)(C)Oc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000584620842 337374853 /nfs/dbraw/zinc/37/48/53/337374853.db2.gz FGUXYIMKKHLOHO-UHFFFAOYSA-N 1 0 303.833 4.726 10 0 DJAERO Fc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[C@H](C(F)(F)F)C3)cc1 ZINC000584624950 337375366 /nfs/dbraw/zinc/37/53/66/337375366.db2.gz RPLIZPPYRXCFMZ-GOEBONIOSA-N 1 0 315.354 4.770 10 0 DJAERO [NH2+]=C1Nc2ccccc2[C@@H](c2ccccc2)N1Cc1ccccc1 ZINC000584656613 337378131 /nfs/dbraw/zinc/37/81/31/337378131.db2.gz NGBFWEGSMYNFNK-HXUWFJFHSA-N 1 0 313.404 4.638 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)sc1Cl ZINC000248706365 337566820 /nfs/dbraw/zinc/56/68/20/337566820.db2.gz AUAWRHVGJIDGHG-MKPLZMMCSA-N 1 0 320.285 4.663 10 0 DJAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)sc1Cl ZINC000248706367 337566822 /nfs/dbraw/zinc/56/68/22/337566822.db2.gz AUAWRHVGJIDGHG-PTOFAABTSA-N 1 0 320.285 4.663 10 0 DJAERO c1ccc(C([NH2+][C@@H]2CCOc3ccccc32)c2ccccc2)cc1 ZINC000194710672 338723782 /nfs/dbraw/zinc/72/37/82/338723782.db2.gz KSVMTVNDXHKYCQ-HXUWFJFHSA-N 1 0 315.416 4.889 10 0 DJAERO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000164663687 339024599 /nfs/dbraw/zinc/02/45/99/339024599.db2.gz ZKFQMJXWXSGELK-ZIAGYGMSSA-N 1 0 300.421 4.930 10 0 DJAERO FC(F)(F)C1CCC(C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000465068251 339167468 /nfs/dbraw/zinc/16/74/68/339167468.db2.gz RQMACEIZUZZVCX-UHFFFAOYSA-N 1 0 305.771 4.798 10 0 DJAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1cc(Cl)sc1Cl ZINC000467454202 339239542 /nfs/dbraw/zinc/23/95/42/339239542.db2.gz IDMJWVAODWSRDZ-BBBLOLIVSA-N 1 0 322.301 4.909 10 0 DJAERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000503562698 340130765 /nfs/dbraw/zinc/13/07/65/340130765.db2.gz LYWUUNUGRISVHA-RNJOBUHISA-N 1 0 316.272 4.848 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+]Cc2cscc2Br)c(C)c1 ZINC000302678994 340278674 /nfs/dbraw/zinc/27/86/74/340278674.db2.gz OYNJRVHZABZHRW-GFCCVEGCSA-N 1 0 324.287 4.978 10 0 DJAERO [NH3+]Cc1cccc(-c2nc(-c3ccc(F)c(Cl)c3)cs2)c1 ZINC000088832156 340463812 /nfs/dbraw/zinc/46/38/12/340463812.db2.gz WEUSUBVCZOEKQZ-UHFFFAOYSA-N 1 0 318.804 4.728 10 0 DJAERO COc1ccsc1[C@@H](C)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000186195480 340509352 /nfs/dbraw/zinc/50/93/52/340509352.db2.gz ZSELGCVXKAALEY-TZMCWYRMSA-N 1 0 317.454 4.710 10 0 DJAERO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)cnn1C(C)C ZINC000191338407 340553041 /nfs/dbraw/zinc/55/30/41/340553041.db2.gz FXAZNDPHUZHLPE-UONOGXRCSA-N 1 0 303.425 4.632 10 0 DJAERO Cc1c([C@@H](C)[NH2+][C@@H]2CCCc3cc(F)ccc32)cnn1C(C)C ZINC000191404596 340554126 /nfs/dbraw/zinc/55/41/26/340554126.db2.gz OALQKXIGAFQZIX-BFUOFWGJSA-N 1 0 315.436 4.640 10 0 DJAERO Cc1ccccc1[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000245896799 341317583 /nfs/dbraw/zinc/31/75/83/341317583.db2.gz DDVKWLMGEYUFMY-NZGUISNBSA-N 1 0 309.453 4.630 10 0 DJAERO CCc1nc2c(s1)[C@H]([NH2+][C@H](C)c1ccccc1C)CCC2 ZINC000153186365 341528558 /nfs/dbraw/zinc/52/85/58/341528558.db2.gz SAJBWMODJPVXAN-UKRRQHHQSA-N 1 0 300.471 4.742 10 0 DJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000181912696 524046988 /nfs/dbraw/zinc/04/69/88/524046988.db2.gz GVTZNQDMIWCHJG-GJZGRUSLSA-N 1 0 310.441 4.619 10 0 DJAERO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000181912736 524047550 /nfs/dbraw/zinc/04/75/50/524047550.db2.gz GVTZNQDMIWCHJG-LSDHHAIUSA-N 1 0 310.441 4.619 10 0 DJAERO C[C@H]([NH2+][C@@H](C)c1cc(Br)cs1)c1cccs1 ZINC000193943624 525528372 /nfs/dbraw/zinc/52/83/72/525528372.db2.gz OADZEHCQNPUETJ-IUCAKERBSA-N 1 0 316.289 4.984 10 0 DJAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccs1)CCS2 ZINC000191486790 525591910 /nfs/dbraw/zinc/59/19/10/525591910.db2.gz VBANGDRARJOLIP-SMDDNHRTSA-N 1 0 305.468 4.644 10 0 DJAERO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(Cl)c2)cnn1C(C)C ZINC000191205566 525903867 /nfs/dbraw/zinc/90/38/67/525903867.db2.gz CAVUNDTUUDASMH-VXGBXAGGSA-N 1 0 323.843 4.977 10 0 DJAERO C[NH2+]CCC[C@]1(c2ccccc2)SC(C)(C)c2ccccc21 ZINC000001999272 563297715 /nfs/dbraw/zinc/29/77/15/563297715.db2.gz FKHYYOUFMJBLAF-HXUWFJFHSA-N 1 0 311.494 4.912 10 0 in-man DJAERO CC(C)[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000010435843 563356912 /nfs/dbraw/zinc/35/69/12/563356912.db2.gz KGDFBZNJFKBNRV-UHFFFAOYSA-N 1 0 305.421 4.917 10 0 DJAERO CCCCOCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000013720008 563387515 /nfs/dbraw/zinc/38/75/15/563387515.db2.gz UFSVPSGWDQVQGZ-UHFFFAOYSA-N 1 0 321.848 4.896 10 0 DJAERO CCCCOCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013720002 563387544 /nfs/dbraw/zinc/38/75/44/563387544.db2.gz WLOYIRUSMARTRE-UHFFFAOYSA-N 1 0 321.848 4.896 10 0 DJAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000034781462 563451270 /nfs/dbraw/zinc/45/12/70/563451270.db2.gz CWLMKZQZGZWEAK-IWDIQUIJSA-N 1 0 317.317 4.818 10 0 DJAERO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2)c2ccccc12 ZINC000146335993 563452778 /nfs/dbraw/zinc/45/27/78/563452778.db2.gz MWRLZSYWYJZHJO-INIZCTEOSA-N 1 0 305.421 4.569 10 0 DJAERO C[C@H](C[NH2+]CCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000013723363 563663248 /nfs/dbraw/zinc/66/32/48/563663248.db2.gz NXVUDADOFHWDBY-CYBMUJFWSA-N 1 0 308.252 4.929 10 0 DJAERO Fc1cc(-c2ccccc2)ccc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000095940880 563931944 /nfs/dbraw/zinc/93/19/44/563931944.db2.gz CHZIPZQBHYPXHR-LJQANCHMSA-N 1 0 321.399 4.553 10 0 DJAERO [NH3+]Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl ZINC000095585344 185381569 /nfs/dbraw/zinc/38/15/69/185381569.db2.gz UDZZGZUQRALTCQ-UHFFFAOYSA-N 1 0 302.588 4.898 10 0 DJAERO CCCc1nc(-c2ccc(Cl)c(Cl)c2)sc1C[NH3+] ZINC000082431962 185181844 /nfs/dbraw/zinc/18/18/44/185181844.db2.gz QZJJVHFDHAFLKM-UHFFFAOYSA-N 1 0 301.242 4.528 10 0 DJAERO CC(C)[NH2+]Cc1sc(Cc2ccccc2)nc1C(C)(C)C ZINC000082438848 185182628 /nfs/dbraw/zinc/18/26/28/185182628.db2.gz YAWGRPLYXXJEOY-UHFFFAOYSA-N 1 0 302.487 4.529 10 0 DJAERO CCCSCc1nc(C(C)(C)C)c(C[NH2+]C(C)C)s1 ZINC000082439769 185182767 /nfs/dbraw/zinc/18/27/67/185182767.db2.gz CENVSFPVTIWGMX-UHFFFAOYSA-N 1 0 300.537 4.582 10 0 DJAERO CC[C@H]([NH2+]CCc1ccc(OC)cc1)c1ccc(Cl)cc1 ZINC000020006125 190645108 /nfs/dbraw/zinc/64/51/08/190645108.db2.gz IRWQJHGUAOPXHR-SFHVURJKSA-N 1 0 303.833 4.632 10 0 DJAERO [NH3+]CCc1c(-c2ccccc2)[nH]c2cc(Cl)cc(Cl)c21 ZINC000005775539 181282841 /nfs/dbraw/zinc/28/28/41/181282841.db2.gz IYGIAGMWVCYEDW-UHFFFAOYSA-N 1 0 305.208 4.643 10 0 DJAERO CC[C@H](C)[C@H](CSC(F)(F)F)[NH2+]Cc1cccc(F)c1 ZINC000095918316 193449635 /nfs/dbraw/zinc/44/96/35/193449635.db2.gz NABZIKKZFWKCEL-GWCFXTLKSA-N 1 0 309.372 4.583 10 0 DJAERO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCCOC(C)C)o1 ZINC000013721978 181883419 /nfs/dbraw/zinc/88/34/19/181883419.db2.gz SDJVVAZSYACOLH-UHFFFAOYSA-N 1 0 321.848 4.813 10 0 DJAERO CC(C)[NH+]1CCC(Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000019230216 182109031 /nfs/dbraw/zinc/10/90/31/182109031.db2.gz DIAZGZKOFBEPJZ-UHFFFAOYSA-N 1 0 320.786 4.644 10 0 DJAERO CC[C@@H]([NH2+]CCc1ccccc1)c1ccc(Br)cc1 ZINC000019233048 182110403 /nfs/dbraw/zinc/11/04/03/182110403.db2.gz REUNQDGPJSOTBF-QGZVFWFLSA-N 1 0 318.258 4.733 10 0 DJAERO CC(C)c1ccc([C@@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000019804141 182151556 /nfs/dbraw/zinc/15/15/56/182151556.db2.gz HYDISAMGPAWYOU-MRXNPFEDSA-N 1 0 304.231 4.621 10 0 DJAERO CC[C@H](c1ccccc1)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000019804123 182151705 /nfs/dbraw/zinc/15/17/05/182151705.db2.gz OVTLTVBSARPUSU-CVEARBPZSA-N 1 0 304.231 4.643 10 0 DJAERO Cc1cc(C)c([C@@H]([NH3+])c2ccc(F)cc2Br)c(C)c1 ZINC000019968640 182171570 /nfs/dbraw/zinc/17/15/70/182171570.db2.gz XPMDNNADIXLYSI-INIZCTEOSA-N 1 0 322.221 4.562 10 0 DJAERO C[C@H]([NH2+]CCCc1ccccc1)c1cccc(Br)c1 ZINC000019991826 182174931 /nfs/dbraw/zinc/17/49/31/182174931.db2.gz DLYIGCUPWZRODH-AWEZNQCLSA-N 1 0 318.258 4.733 10 0 DJAERO CC(C)CC[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000020015930 182178328 /nfs/dbraw/zinc/17/83/28/182178328.db2.gz FDIVWRAZDMLODF-LLVKDONJSA-N 1 0 310.235 4.892 10 0 DJAERO CC(C)[NH+](CCN[C@@H](C)c1ccc(Cl)cc1Cl)C(C)C ZINC000020007688 182177014 /nfs/dbraw/zinc/17/70/14/182177014.db2.gz SAPZCNITTKJQCO-ZDUSSCGKSA-N 1 0 317.304 4.763 10 0 DJAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1cccc(Br)c1 ZINC000020129718 182190047 /nfs/dbraw/zinc/19/00/47/182190047.db2.gz GYVLTUFUBDWOIL-PXAZEXFGSA-N 1 0 316.242 4.787 10 0 DJAERO Cc1ccc(Oc2ccc([C@@H](C)[NH3+])cc2F)c(Br)c1 ZINC000020077942 182185567 /nfs/dbraw/zinc/18/55/67/182185567.db2.gz GZQLSXQHQZZVAM-SNVBAGLBSA-N 1 0 324.193 4.709 10 0 DJAERO C[C@H]([NH3+])c1cc(F)ccc1Oc1ccc(Cl)cc1Cl ZINC000020565041 182233495 /nfs/dbraw/zinc/23/34/95/182233495.db2.gz RXOHPVXPGNSGBU-QMMMGPOBSA-N 1 0 300.160 4.945 10 0 DJAERO CCCC[C@@H](CC)[C@@H]([NH3+])c1cc(Br)ccc1OC ZINC000020586530 182235474 /nfs/dbraw/zinc/23/54/74/182235474.db2.gz VZYBMPKPAWDIGO-IAQYHMDHSA-N 1 0 314.267 4.674 10 0 DJAERO Cc1c2cc(Br)ccc2oc1[C@H]([NH3+])c1ccccc1 ZINC000020593037 182236001 /nfs/dbraw/zinc/23/60/01/182236001.db2.gz NMEMYXYZMARPDR-OAHLLOKOSA-N 1 0 316.198 4.552 10 0 DJAERO CCn1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000020934936 182255073 /nfs/dbraw/zinc/25/50/73/182255073.db2.gz QTNREPIAIHBTJL-UHFFFAOYSA-N 1 0 308.469 4.720 10 0 DJAERO Cc1ccc(COc2ccccc2C[NH2+]C2CCCCC2)cc1 ZINC000020873570 182250836 /nfs/dbraw/zinc/25/08/36/182250836.db2.gz VSTJKKGTBMEECY-UHFFFAOYSA-N 1 0 309.453 4.996 10 0 DJAERO CCN([C@H](C[NH3+])c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000021041563 182263115 /nfs/dbraw/zinc/26/31/15/182263115.db2.gz LCKQJEFBEHMGHP-MRXNPFEDSA-N 1 0 315.288 4.648 10 0 DJAERO CCCOc1ccc2ccccc2c1C[NH2+]CCc1ccccc1 ZINC000020930542 182255466 /nfs/dbraw/zinc/25/54/66/182255466.db2.gz HRQBJNCJDRXNOM-UHFFFAOYSA-N 1 0 319.448 4.961 10 0 DJAERO CC[NH2+][C@H](Cc1ccccc1Br)c1ccc(C)cc1 ZINC000037534039 182905049 /nfs/dbraw/zinc/90/50/49/182905049.db2.gz AQHWTYKNMDVXSC-QGZVFWFLSA-N 1 0 318.258 4.651 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(Br)s1 ZINC000038001768 182957677 /nfs/dbraw/zinc/95/76/77/182957677.db2.gz BSMAGZYENHTDGL-GARJFASQSA-N 1 0 302.281 4.740 10 0 DJAERO Fc1ccc(-c2cn(C3CC[NH2+]CC3)c3ccc(F)cc23)cc1 ZINC000038604822 183004299 /nfs/dbraw/zinc/00/42/99/183004299.db2.gz GXGQBJFBRXWIAT-UHFFFAOYSA-N 1 0 312.363 4.511 10 0 DJAERO CC(C)Oc1ccc2ccccc2c1C[NH2+]CCc1ccccc1 ZINC000040729603 183125657 /nfs/dbraw/zinc/12/56/57/183125657.db2.gz TZVPDFCWNBANAA-UHFFFAOYSA-N 1 0 319.448 4.959 10 0 DJAERO C[C@H]([NH3+])c1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000041566995 183203724 /nfs/dbraw/zinc/20/37/24/183203724.db2.gz WSFSHMBQADGDRG-VIFPVBQESA-N 1 0 314.187 4.731 10 0 DJAERO CC[C@@H]([NH2+]C1CC(c2ccc(Br)cc2)C1)C(C)C ZINC000042585769 183287448 /nfs/dbraw/zinc/28/74/48/183287448.db2.gz YYPPWGHHPLSUKK-AVVWSFFYSA-N 1 0 310.279 4.719 10 0 DJAERO CC(C)C[C@H]1CSC(N[C@@H](C)c2ccc(Cl)s2)=[NH+]1 ZINC000042591994 183288704 /nfs/dbraw/zinc/28/87/04/183288704.db2.gz FCINJCCHRKTHFH-UWVGGRQHSA-N 1 0 302.896 4.570 10 0 DJAERO CC[C@@H]([NH2+]CCc1ccsc1)c1ccc(Br)cc1 ZINC000042599296 183289422 /nfs/dbraw/zinc/28/94/22/183289422.db2.gz CWTODHNPSGFBNN-OAHLLOKOSA-N 1 0 324.287 4.794 10 0 DJAERO CCC[NH2+][C@@H](c1ccc(Br)o1)c1sccc1C ZINC000042730119 183302776 /nfs/dbraw/zinc/30/27/76/183302776.db2.gz JSNNAHAEOOUTFJ-LBPRGKRZSA-N 1 0 314.248 4.501 10 0 DJAERO CC[NH2+][C@@H](c1sccc1C)c1ccc(Br)cc1C ZINC000042729639 183303026 /nfs/dbraw/zinc/30/30/26/183303026.db2.gz HGMINAVOUIQWFV-CQSZACIVSA-N 1 0 324.287 4.826 10 0 DJAERO Cc1ccc(S[C@@H](C[NH3+])c2ccc(Br)cc2)cc1 ZINC000042958743 183323453 /nfs/dbraw/zinc/32/34/53/183323453.db2.gz QLIRBAIEHDXVCJ-HNNXBMFYSA-N 1 0 322.271 4.550 10 0 DJAERO [NH3+]C[C@@H](SC1CCCCC1)c1ccc(Br)cc1 ZINC000042959671 183323666 /nfs/dbraw/zinc/32/36/66/183323666.db2.gz NRASAMZGZSWARI-CQSZACIVSA-N 1 0 314.292 4.515 10 0 DJAERO CC[C@@H]([NH3+])[C@H](Sc1nc(C)cs1)c1cccc(Cl)c1 ZINC000043019232 183329026 /nfs/dbraw/zinc/32/90/26/183329026.db2.gz ZWAFIHSNFJKBDJ-CHWSQXEVSA-N 1 0 312.891 4.676 10 0 DJAERO Cc1ccccc1S[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043025053 183331260 /nfs/dbraw/zinc/33/12/60/183331260.db2.gz KXXCXWJSYDNTGQ-HNNXBMFYSA-N 1 0 322.271 4.550 10 0 DJAERO CC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000042816094 183312387 /nfs/dbraw/zinc/31/23/87/183312387.db2.gz NEGBEWJCNBQKPR-DOMZBBRYSA-N 1 0 302.245 4.603 10 0 DJAERO C[C@@H]([NH3+])[C@H](Sc1nc2ccccc2s1)c1cccs1 ZINC000043112337 183337986 /nfs/dbraw/zinc/33/79/86/183337986.db2.gz LSERFOBBLUEPJU-RNCFNFMXSA-N 1 0 306.481 4.538 10 0 DJAERO C[C@@H]([NH3+])[C@@H](Oc1cc(Cl)ccc1Cl)c1cccs1 ZINC000043107838 183338087 /nfs/dbraw/zinc/33/80/87/183338087.db2.gz SZRGDSHHNUPRHO-AMIZOPFISA-N 1 0 302.226 4.522 10 0 DJAERO CC[C@H]([NH3+])[C@H](Oc1cc(Cl)ccc1Cl)c1cccs1 ZINC000043107839 183338382 /nfs/dbraw/zinc/33/83/82/183338382.db2.gz LKWFACWZZIOHDZ-FZMZJTMJSA-N 1 0 316.253 4.912 10 0 DJAERO CC[C@@H]([NH3+])[C@H](Oc1cccc(Cl)c1Cl)c1cccs1 ZINC000043110153 183338505 /nfs/dbraw/zinc/33/85/05/183338505.db2.gz DXMOWYQWVQSJQD-YGRLFVJLSA-N 1 0 316.253 4.912 10 0 DJAERO C[C@@H](Oc1ccc([C@H](C)[NH3+])cc1Br)c1ccccc1 ZINC000061698822 184183872 /nfs/dbraw/zinc/18/38/72/184183872.db2.gz MOBIYVWCJWKPEN-NWDGAFQWSA-N 1 0 320.230 4.609 10 0 DJAERO Cc1cccc(Oc2ccc([C@@H](C)[NH3+])cc2Br)c1 ZINC000061699111 184183932 /nfs/dbraw/zinc/18/39/32/184183932.db2.gz AZCCBVCMNNATAL-LLVKDONJSA-N 1 0 306.203 4.570 10 0 DJAERO CC[NH2+]Cc1sc(-c2ccc(Cl)c(Cl)c2)nc1C ZINC000062214361 184222092 /nfs/dbraw/zinc/22/20/92/184222092.db2.gz ZPKIUXZSPJVROZ-UHFFFAOYSA-N 1 0 301.242 4.535 10 0 DJAERO C[C@H]([NH3+])Cc1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 ZINC000062770825 184252916 /nfs/dbraw/zinc/25/29/16/184252916.db2.gz HHNUCYLNUZHOML-ZETCQYMHSA-N 1 0 304.604 4.797 10 0 DJAERO C[C@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ccc(Cl)c(Cl)c1 ZINC000092195295 332116511 /nfs/dbraw/zinc/11/65/11/332116511.db2.gz ZHTQGQJIADWDGB-UWVGGRQHSA-N 1 0 313.203 4.939 10 0 DJAERO C[C@@H](COCc1ccccc1)[NH2+]Cc1csc2ccccc12 ZINC000390539839 333293239 /nfs/dbraw/zinc/29/32/39/333293239.db2.gz QOOKBAFSEMORPY-HNNXBMFYSA-N 1 0 311.450 4.596 10 0 DJAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000390544734 333296475 /nfs/dbraw/zinc/29/64/75/333296475.db2.gz TXSGNMRRFRQQGV-STQMWFEESA-N 1 0 309.862 4.657 10 0 DJAERO CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(OC)c1)c1cccc(F)c1 ZINC000186842824 333379541 /nfs/dbraw/zinc/37/95/41/333379541.db2.gz YQGCPCNBUHQTRZ-DYVFJYSZSA-N 1 0 317.404 4.645 10 0 DJAERO CCCOc1ccc([C@H](C)[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000050198760 334374071 /nfs/dbraw/zinc/37/40/71/334374071.db2.gz JJCUTLWJUSWPIP-AWEZNQCLSA-N 1 0 303.833 4.980 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+]C2CCC(C(F)(F)F)CC2)cc1F ZINC000094837263 335755454 /nfs/dbraw/zinc/75/54/54/335755454.db2.gz UGVNTTUANZWMJM-LMWSTFAQSA-N 1 0 303.343 4.906 10 0 DJAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OC)c(OC)c2)s1 ZINC000194339590 338515395 /nfs/dbraw/zinc/51/53/95/338515395.db2.gz VYYHGBWCHGWVFT-CHWSQXEVSA-N 1 0 319.470 4.740 10 0 DJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)s1 ZINC000194339572 338515407 /nfs/dbraw/zinc/51/54/07/338515407.db2.gz VYYHGBWCHGWVFT-STQMWFEESA-N 1 0 319.470 4.740 10 0 DJAERO CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000192706605 336259136 /nfs/dbraw/zinc/25/91/36/336259136.db2.gz WYUDDOCYQAILJX-DNVCBOLYSA-N 1 0 311.425 4.648 10 0 DJAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000192792694 336261995 /nfs/dbraw/zinc/26/19/95/336261995.db2.gz UTPCFBIEFKPJQX-MLGOLLRUSA-N 1 0 321.342 4.880 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2)c(C)c1 ZINC000037499045 336264445 /nfs/dbraw/zinc/26/44/45/336264445.db2.gz IDPNUEMLXWXCTM-CQSZACIVSA-N 1 0 318.258 4.917 10 0 DJAERO CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(O)c2)cc1 ZINC000192845233 336267352 /nfs/dbraw/zinc/26/73/52/336267352.db2.gz IWAQBKIJJNAWSN-JKSUJKDBSA-N 1 0 313.441 4.839 10 0 DJAERO Cc1cccc2c(NC[C@@H]3CCO[C@@H]3c3ccccc3)cc[nH+]c12 ZINC000301663687 336321824 /nfs/dbraw/zinc/32/18/24/336321824.db2.gz KOIISZJYRAAXDX-LAUBAEHRSA-N 1 0 318.420 4.733 10 0 DJAERO Cc1cc(C)c2c(c1)[C@H]([NH2+][C@H]1CCOc3ccccc31)CCCO2 ZINC000178277398 337161955 /nfs/dbraw/zinc/16/19/55/337161955.db2.gz ANCOLIAYTMBEIJ-MOPGFXCFSA-N 1 0 323.436 4.631 10 0 DJAERO C[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1cc(F)ccc1F ZINC000178607303 337165358 /nfs/dbraw/zinc/16/53/58/337165358.db2.gz UAAMXYQHSFUKEU-XOBRGWDASA-N 1 0 324.374 4.800 10 0 DJAERO C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1cc(F)cc(F)c1 ZINC000178610734 337165364 /nfs/dbraw/zinc/16/53/64/337165364.db2.gz KNRCUQMPSBOIOX-JLTOFOAXSA-N 1 0 324.374 4.800 10 0 DJAERO C[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1cccc(F)c1 ZINC000178612713 337165393 /nfs/dbraw/zinc/16/53/93/337165393.db2.gz AGHJKKNEPPCPAX-YWZLYKJASA-N 1 0 306.384 4.661 10 0 DJAERO C[NH+](C)CCC[C@H]1c2ccccc2Oc2ccc(Cl)cc21 ZINC000584590571 337370447 /nfs/dbraw/zinc/37/04/47/337370447.db2.gz FGPRLGXSAALXHD-AWEZNQCLSA-N 1 0 301.817 4.919 10 0 DJAERO C[NH+]1CCC([C@@H]2c3ccccc3Nc3ccc(Cl)cc32)CC1 ZINC000584591456 337373424 /nfs/dbraw/zinc/37/34/24/337373424.db2.gz DFZLUKDLIQRGKI-LJQANCHMSA-N 1 0 312.844 4.871 10 0 DJAERO Fc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](C(F)(F)F)C3)cc1 ZINC000584624951 337375346 /nfs/dbraw/zinc/37/53/46/337375346.db2.gz RPLIZPPYRXCFMZ-HOCLYGCPSA-N 1 0 315.354 4.770 10 0 DJAERO COc1ccccc1C1CC[NH+]([C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000584651611 337380977 /nfs/dbraw/zinc/38/09/77/337380977.db2.gz CGECETVEJYHSLR-VQFNDLOPSA-N 1 0 301.474 4.699 10 0 DJAERO C[C@H]([NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000246967053 337556497 /nfs/dbraw/zinc/55/64/97/337556497.db2.gz JDDOBMUAWOCADQ-DXCKQFNASA-N 1 0 321.873 4.506 10 0 DJAERO Cc1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)c2ccccc2n1 ZINC000105414603 337808228 /nfs/dbraw/zinc/80/82/28/337808228.db2.gz CGEVIEAUEZJKGH-CYBMUJFWSA-N 1 0 312.363 4.672 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1cc(F)ccc1F ZINC000083477067 337994951 /nfs/dbraw/zinc/99/49/51/337994951.db2.gz GOOBCXMIFSIIPR-DYZYQPBXSA-N 1 0 307.771 4.956 10 0 DJAERO CCc1nc(C)c(C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)o1 ZINC000451353744 338730878 /nfs/dbraw/zinc/73/08/78/338730878.db2.gz KUHQUSFDQRXWMX-QGZVFWFLSA-N 1 0 322.811 4.579 10 0 DJAERO C[C@@H]([NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)c1cccc(O)c1 ZINC000178757945 340451993 /nfs/dbraw/zinc/45/19/93/340451993.db2.gz VSKYNRXTKJRFCT-BEFAXECRSA-N 1 0 323.436 4.879 10 0 DJAERO COc1ccsc1[C@@H](C)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000186195513 340509358 /nfs/dbraw/zinc/50/93/58/340509358.db2.gz ZSELGCVXKAALEY-OCCSQVGLSA-N 1 0 317.454 4.710 10 0 DJAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccccc1C)CCS2 ZINC000191486338 340554642 /nfs/dbraw/zinc/55/46/42/340554642.db2.gz IHYDYTGCSIBESO-KBXCAEBGSA-N 1 0 313.466 4.891 10 0 DJAERO C[C@H]([NH2+]C[C@H]1CCSC1)c1c(Cl)ccc(F)c1Cl ZINC000226374715 340583795 /nfs/dbraw/zinc/58/37/95/340583795.db2.gz NMSPZEMYAHKHAB-DTWKUNHWSA-N 1 0 308.249 4.536 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Br)c(C)c1 ZINC000037772274 340786758 /nfs/dbraw/zinc/78/67/58/340786758.db2.gz LWRXEEYAYDHMEE-CQSZACIVSA-N 1 0 318.258 4.917 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)c1ccc(F)c(F)c1 ZINC000126482576 340827515 /nfs/dbraw/zinc/82/75/15/340827515.db2.gz USXDCBUHHJOUAX-MNOVXSKESA-N 1 0 318.392 4.986 10 0 DJAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C)c1cccc(Cl)c1 ZINC000247604981 341367986 /nfs/dbraw/zinc/36/79/86/341367986.db2.gz LNMAVHAQIKILGB-DYVFJYSZSA-N 1 0 317.864 4.588 10 0 DJAERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)c1 ZINC000180230634 519748749 /nfs/dbraw/zinc/74/87/49/519748749.db2.gz KKHVRWOFXAOBNB-LRAJWGHMSA-N 1 0 322.452 4.538 10 0 DJAERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)c1 ZINC000180230689 519748922 /nfs/dbraw/zinc/74/89/22/519748922.db2.gz KKHVRWOFXAOBNB-GXZWQRSESA-N 1 0 322.452 4.538 10 0 DJAERO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2cnc(Cl)s2)cc1 ZINC000181399078 519763553 /nfs/dbraw/zinc/76/35/53/519763553.db2.gz CDMUFUZKPCIWKV-GFCCVEGCSA-N 1 0 324.877 4.682 10 0 DJAERO CC[C@H]([NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)c1ccncc1 ZINC000163794283 522750303 /nfs/dbraw/zinc/75/03/03/522750303.db2.gz HJKYEHWSIQDYSL-OALUTQOASA-N 1 0 322.452 4.959 10 0 DJAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)cc1 ZINC000181912717 524027056 /nfs/dbraw/zinc/02/70/56/524027056.db2.gz GVTZNQDMIWCHJG-HUUCEWRRSA-N 1 0 310.441 4.619 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)c1cccnc1)[C@@H](C)c1nc2ccccc2s1 ZINC000178314209 525617438 /nfs/dbraw/zinc/61/74/38/525617438.db2.gz NHHIYHIMZQTXNE-MCIONIFRSA-N 1 0 311.454 4.534 10 0 DJAERO C[C@@H]([NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccncc1 ZINC000152534922 525631366 /nfs/dbraw/zinc/63/13/66/525631366.db2.gz ZXSOSYVKFKCLSY-CRAIPNDOSA-N 1 0 308.425 4.569 10 0 DJAERO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cnn1C(C)(C)C ZINC000191104526 525899702 /nfs/dbraw/zinc/89/97/02/525899702.db2.gz ZSZVMJYYSAOWKY-NWDGAFQWSA-N 1 0 321.415 4.637 10 0 DJAERO Cc1cncc([C@H](C)[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000184415683 526217243 /nfs/dbraw/zinc/21/72/43/526217243.db2.gz WKCUJXKYFMVPHK-QFBILLFUSA-N 1 0 322.452 4.877 10 0 DJAERO CC[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12 ZINC000010315564 563355875 /nfs/dbraw/zinc/35/58/75/563355875.db2.gz LVGOFGSWEPXSMK-UHFFFAOYSA-N 1 0 312.844 4.761 10 0 DJAERO CC1CCC(CC[NH2+]Cc2cccc(Br)c2)CC1 ZINC000070538465 563451333 /nfs/dbraw/zinc/45/13/33/563451333.db2.gz CIZOGNJPVJFDNI-UHFFFAOYSA-N 1 0 310.279 4.755 10 0 DJAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]C(C)C)cc1 ZINC000010436363 563649199 /nfs/dbraw/zinc/64/91/99/563649199.db2.gz TUCNVYZOEDJKNS-UHFFFAOYSA-N 1 0 303.833 4.725 10 0 DJAERO CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000028427587 563751379 /nfs/dbraw/zinc/75/13/79/563751379.db2.gz PUWZRZRXRHHWMG-UHFFFAOYSA-N 1 0 324.251 4.990 10 0 DJAERO CC[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000033454427 563770116 /nfs/dbraw/zinc/77/01/16/563770116.db2.gz ZBLUYENBPXKDQC-UHFFFAOYSA-N 1 0 310.224 4.682 10 0 DJAERO C[N+](C)(Cc1ccc(Br)c(Cl)c1)C1CCCC1 ZINC000188634372 717157603 /nfs/dbraw/zinc/15/76/03/717157603.db2.gz GBNHOHOFRZSPQR-UHFFFAOYSA-N 1 0 317.678 4.622 10 0 DJAERO CCCc1nc(-c2ccc(Cl)cc2)sc1C[NH2+]C(C)C ZINC000082427075 185181033 /nfs/dbraw/zinc/18/10/33/185181033.db2.gz IQGJZXCAPOPGSX-UHFFFAOYSA-N 1 0 308.878 4.914 10 0 DJAERO CCC[NH2+]Cc1sc(-c2c(F)cccc2F)nc1C(C)C ZINC000082429851 185181579 /nfs/dbraw/zinc/18/15/79/185181579.db2.gz PUYYXIJKVJLFLX-UHFFFAOYSA-N 1 0 310.413 4.711 10 0 DJAERO C[C@@H]([NH3+])[C@@H](Sc1ccc(Br)cc1)c1ccccc1 ZINC000042904856 190672324 /nfs/dbraw/zinc/67/23/24/190672324.db2.gz QYRUNLJONDXFHF-IAQYHMDHSA-N 1 0 322.271 4.630 10 0 DJAERO CCOC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(C)cc23)cc1 ZINC000005584467 181260468 /nfs/dbraw/zinc/26/04/68/181260468.db2.gz AEWQOWIZGWLFIJ-UHFFFAOYSA-N 1 0 320.392 4.772 10 0 DJAERO CC(C)(C)Cc1ccc(CC(C)(C)C)c(OCCCC[NH3+])c1 ZINC000005641348 181267420 /nfs/dbraw/zinc/26/74/20/181267420.db2.gz YJYIXGAOKYROJY-UHFFFAOYSA-N 1 0 305.506 4.982 10 0 DJAERO O[C@](CCC[NH+]1CCCCC1)(c1ccccc1)C1CCCCC1 ZINC000006116517 181313186 /nfs/dbraw/zinc/31/31/86/181313186.db2.gz ILHSFCNKNNNPRN-OAQYLSRUSA-N 1 0 315.501 4.721 10 0 in-vitro DJAERO CC[C@H]([NH2+]CCc1ccccc1)c1ccc(Br)cc1 ZINC000019233049 182109955 /nfs/dbraw/zinc/10/99/55/182109955.db2.gz REUNQDGPJSOTBF-KRWDZBQOSA-N 1 0 318.258 4.733 10 0 DJAERO CC(C)(C)c1ccc(O[C@H](C[NH3+])c2ccc(Cl)cc2)cc1 ZINC000019671041 182135060 /nfs/dbraw/zinc/13/50/60/182135060.db2.gz JJTQTMBATIDPCW-QGZVFWFLSA-N 1 0 303.833 4.716 10 0 DJAERO Cc1cc(C)c([C@H]([NH3+])c2cc(F)ccc2Br)c(C)c1 ZINC000019968655 182171566 /nfs/dbraw/zinc/17/15/66/182171566.db2.gz JOTIXMNWEOIJCK-MRXNPFEDSA-N 1 0 322.221 4.562 10 0 DJAERO Clc1cc(Cl)c(OCC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000020221579 182198789 /nfs/dbraw/zinc/19/87/89/182198789.db2.gz SENQGDZPQSNGJJ-JTQLQIEISA-N 1 0 308.636 4.558 10 0 DJAERO CC[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(Br)cc1 ZINC000020305583 182205182 /nfs/dbraw/zinc/20/51/82/182205182.db2.gz WZQXYTMJDCTZRK-INIZCTEOSA-N 1 0 322.221 4.829 10 0 DJAERO C[C@H](C[NH2+][C@@H](C)c1cccc(Br)c1)c1ccccc1 ZINC000020558221 182231242 /nfs/dbraw/zinc/23/12/42/182231242.db2.gz NGNWALSGOHZTCI-KGLIPLIRSA-N 1 0 318.258 4.903 10 0 DJAERO CCN(c1ccccc1)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000020549978 182230207 /nfs/dbraw/zinc/23/02/07/182230207.db2.gz UMFFVWZOZCZXOP-MRXNPFEDSA-N 1 0 309.240 4.520 10 0 DJAERO CCCOc1ccc(Cl)cc1C[NH2+]CCc1ccccc1F ZINC000020928884 182254138 /nfs/dbraw/zinc/25/41/38/182254138.db2.gz YDKLJHNSZCALHI-UHFFFAOYSA-N 1 0 321.823 4.600 10 0 DJAERO COc1c(Cl)cc(C[NH2+]C2CCCCCC2)cc1Cl ZINC000020928496 182254423 /nfs/dbraw/zinc/25/44/23/182254423.db2.gz WSRGCTBBTURRPF-UHFFFAOYSA-N 1 0 302.245 4.814 10 0 DJAERO CCCOc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1Cl ZINC000020925438 182254609 /nfs/dbraw/zinc/25/46/09/182254609.db2.gz YGUPEBLZGBAMMP-CQSZACIVSA-N 1 0 303.833 4.980 10 0 DJAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CC2)cc1 ZINC000020874250 182250837 /nfs/dbraw/zinc/25/08/37/182250837.db2.gz FSZJKJWAMMGKQU-UHFFFAOYSA-N 1 0 317.432 4.979 10 0 DJAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]CC(C)C)cc1 ZINC000020875130 182251291 /nfs/dbraw/zinc/25/12/91/182251291.db2.gz RYJHODSCYFUQRN-UHFFFAOYSA-N 1 0 317.860 4.973 10 0 DJAERO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000020875790 182251604 /nfs/dbraw/zinc/25/16/04/182251604.db2.gz NCQRPUDZMLOZPL-GFCCVEGCSA-N 1 0 322.246 4.906 10 0 DJAERO C[NH+](C)CCCSc1cc(-c2ccccc2)c2ccccc2n1 ZINC000029205579 182555767 /nfs/dbraw/zinc/55/57/67/182555767.db2.gz SXAQOTSZLBEUDF-UHFFFAOYSA-N 1 0 322.477 4.946 10 0 DJAERO CC(C)c1ccc([C@@H]([NH3+])c2cccc(Br)c2)cc1 ZINC000036819787 182845700 /nfs/dbraw/zinc/84/57/00/182845700.db2.gz CLELCQZOYPINOR-MRXNPFEDSA-N 1 0 304.231 4.621 10 0 DJAERO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000037000600 182860193 /nfs/dbraw/zinc/86/01/93/182860193.db2.gz OONCSODHZLZDBG-KGLIPLIRSA-N 1 0 318.258 4.731 10 0 DJAERO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccc(Br)s1 ZINC000038001993 182958376 /nfs/dbraw/zinc/95/83/76/182958376.db2.gz OFVNDDJFNPBIPC-VXGBXAGGSA-N 1 0 324.287 4.965 10 0 DJAERO CC[NH+](CC)CCCn1c2ccccc2nc1-c1cccc(C)c1 ZINC000040389594 183059859 /nfs/dbraw/zinc/05/98/59/183059859.db2.gz JVRRIJCJCFGYKZ-UHFFFAOYSA-N 1 0 321.468 4.744 10 0 DJAERO CC(C)[NH2+]Cc1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000041010123 183155796 /nfs/dbraw/zinc/15/57/96/183155796.db2.gz WHSUABMCWYGJQL-UHFFFAOYSA-N 1 0 301.242 4.615 10 0 DJAERO Clc1cccc(Cl)c1OCCC[NH2+]C1CCCCC1 ZINC000041515105 183196100 /nfs/dbraw/zinc/19/61/00/183196100.db2.gz FUBBBRWVJOXWBH-UHFFFAOYSA-N 1 0 302.245 4.685 10 0 DJAERO Cc1ccc(OCc2ccc(Cl)cc2Cl)c([C@@H](C)[NH3+])c1 ZINC000041544770 183201696 /nfs/dbraw/zinc/20/16/96/183201696.db2.gz LZQRJBIXPQKXKK-LLVKDONJSA-N 1 0 310.224 4.901 10 0 DJAERO CC[C@@H]([NH2+]C1CC(c2cccc(Br)c2)C1)C(C)C ZINC000042585793 183287961 /nfs/dbraw/zinc/28/79/61/183287961.db2.gz YPIQTPWHMSTFSN-AVVWSFFYSA-N 1 0 310.279 4.719 10 0 DJAERO CC[C@H]([NH2+]C1CC(c2ccccc2Br)C1)C(C)C ZINC000042585813 183287966 /nfs/dbraw/zinc/28/79/66/183287966.db2.gz QKVFQAUZQAAZAD-ZUEPYMLJSA-N 1 0 310.279 4.719 10 0 DJAERO CC[C@@H]([NH2+]CCc1ccsc1)c1cccc(Br)c1 ZINC000042600103 183290613 /nfs/dbraw/zinc/29/06/13/183290613.db2.gz QYELUJUHEFBPDB-OAHLLOKOSA-N 1 0 324.287 4.794 10 0 DJAERO CC[C@H]([NH2+]CCc1ccsc1)c1cccc(Br)c1 ZINC000042600099 183290652 /nfs/dbraw/zinc/29/06/52/183290652.db2.gz QYELUJUHEFBPDB-HNNXBMFYSA-N 1 0 324.287 4.794 10 0 DJAERO CCC[NH2+][C@H](c1ccc(Br)o1)c1sccc1C ZINC000042730121 183302548 /nfs/dbraw/zinc/30/25/48/183302548.db2.gz JSNNAHAEOOUTFJ-GFCCVEGCSA-N 1 0 314.248 4.501 10 0 DJAERO [NH3+]C[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000042949740 183320732 /nfs/dbraw/zinc/32/07/32/183320732.db2.gz AHVXFGKPOXBZBF-AWEZNQCLSA-N 1 0 316.615 4.726 10 0 DJAERO [NH3+]C[C@@H](Oc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000042947983 183321048 /nfs/dbraw/zinc/32/10/48/183321048.db2.gz GLTCAYZALKPTMO-CQSZACIVSA-N 1 0 316.615 4.726 10 0 DJAERO CC[C@H]([NH3+])[C@H](SCC(C)C)c1ccc(Br)cc1 ZINC000042959377 183323801 /nfs/dbraw/zinc/32/38/01/183323801.db2.gz FRJPRWGJHINGFO-UONOGXRCSA-N 1 0 316.308 4.617 10 0 DJAERO Cc1cccc([C@@H](C[NH3+])Sc2ccccc2Br)c1 ZINC000042970118 183324113 /nfs/dbraw/zinc/32/41/13/183324113.db2.gz FIOZODLWMIBTIJ-OAHLLOKOSA-N 1 0 322.271 4.550 10 0 DJAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(C)cs1)c1cccc(Cl)c1 ZINC000043019235 183328494 /nfs/dbraw/zinc/32/84/94/183328494.db2.gz ZWAFIHSNFJKBDJ-OLZOCXBDSA-N 1 0 312.891 4.676 10 0 DJAERO [NH3+]C[C@@H](Oc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1 ZINC000043018750 183328516 /nfs/dbraw/zinc/32/85/16/183328516.db2.gz RKFCDAVZHXMFMX-CQSZACIVSA-N 1 0 316.615 4.726 10 0 DJAERO CC[C@H]([NH3+])[C@@H](SCC(C)C)c1cccc(Br)c1 ZINC000043024837 183331149 /nfs/dbraw/zinc/33/11/49/183331149.db2.gz ROVIFOXENHONDV-KBPBESRZSA-N 1 0 316.308 4.617 10 0 DJAERO Cc1ccccc1[C@H](C[NH3+])Sc1ccc(Br)cc1 ZINC000043041512 183331968 /nfs/dbraw/zinc/33/19/68/183331968.db2.gz BGJDRDGWNHBMHK-HNNXBMFYSA-N 1 0 322.271 4.550 10 0 DJAERO CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(Cl)cc1Cl ZINC000042815132 183312052 /nfs/dbraw/zinc/31/20/52/183312052.db2.gz MHYHOPMDXCXDFL-IUODEOHRSA-N 1 0 302.245 4.603 10 0 DJAERO C[C@H]([NH3+])[C@H](Sc1ccccc1)c1ccccc1Br ZINC000043095670 183337257 /nfs/dbraw/zinc/33/72/57/183337257.db2.gz GHZFXVQLLCEDNI-NHYWBVRUSA-N 1 0 322.271 4.630 10 0 DJAERO CC[C@@H]([NH3+])[C@@H](Oc1cc(Cl)ccc1Cl)c1cccs1 ZINC000043107842 183338028 /nfs/dbraw/zinc/33/80/28/183338028.db2.gz LKWFACWZZIOHDZ-BXUZGUMPSA-N 1 0 316.253 4.912 10 0 DJAERO C[C@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1Cl)c1cccs1 ZINC000043108629 183338172 /nfs/dbraw/zinc/33/81/72/183338172.db2.gz QTCSLNYAVSYJGH-ISVAXAHUSA-N 1 0 302.226 4.522 10 0 DJAERO C[C@H]([NH3+])[C@H](Sc1nc2ccccc2s1)c1cccs1 ZINC000043112333 183338180 /nfs/dbraw/zinc/33/81/80/183338180.db2.gz LSERFOBBLUEPJU-ZANVPECISA-N 1 0 306.481 4.538 10 0 DJAERO CC[C@H]([NH3+])[C@H](Oc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000043111702 183338233 /nfs/dbraw/zinc/33/82/33/183338233.db2.gz CWYNCIMDDWXZEU-JSGCOSHPSA-N 1 0 316.253 4.912 10 0 DJAERO [NH3+]C[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1Cl ZINC000043088669 183334875 /nfs/dbraw/zinc/33/48/75/183334875.db2.gz GLAJYCHWVWUELG-CQSZACIVSA-N 1 0 316.615 4.726 10 0 DJAERO [NH3+]C[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1Cl ZINC000043088672 183335313 /nfs/dbraw/zinc/33/53/13/183335313.db2.gz GLAJYCHWVWUELG-AWEZNQCLSA-N 1 0 316.615 4.726 10 0 DJAERO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(Br)s1 ZINC000045629265 183520320 /nfs/dbraw/zinc/52/03/20/183520320.db2.gz DMXSTKGYWDMHRP-GHMZBOCLSA-N 1 0 300.265 4.518 10 0 DJAERO NC(=[NH2+])c1cc(Cl)ccc1Oc1cccc(Cl)c1Cl ZINC000052860321 183877356 /nfs/dbraw/zinc/87/73/56/183877356.db2.gz CFVWLFVURMSACS-UHFFFAOYSA-N 1 0 315.587 4.723 10 0 DJAERO CC[NH2+][C@H](Cc1cccs1)Cc1c(Cl)cccc1Cl ZINC000060701597 184154354 /nfs/dbraw/zinc/15/43/54/184154354.db2.gz OBTLFXACJDHJPK-LLVKDONJSA-N 1 0 314.281 4.818 10 0 DJAERO CCc1ccc(C[C@H]([NH2+]C)c2ccccc2Br)s1 ZINC000060700047 184154540 /nfs/dbraw/zinc/15/45/40/184154540.db2.gz WVVNJQBOYCMHOX-HNNXBMFYSA-N 1 0 324.287 4.576 10 0 DJAERO Cc1cccc(Oc2ccc([C@H](C)[NH3+])cc2Br)c1 ZINC000061699112 184183899 /nfs/dbraw/zinc/18/38/99/184183899.db2.gz AZCCBVCMNNATAL-NSHDSACASA-N 1 0 306.203 4.570 10 0 DJAERO Cc1ccc(Oc2ccc([C@H](C)[NH3+])cc2Br)cc1 ZINC000061698870 184183936 /nfs/dbraw/zinc/18/39/36/184183936.db2.gz JCSSZYWZLFYAMZ-NSHDSACASA-N 1 0 306.203 4.570 10 0 DJAERO Cc1cccc(N(C)c2ccc([C@@H](C)[NH3+])cc2Br)c1 ZINC000061698101 184184000 /nfs/dbraw/zinc/18/40/00/184184000.db2.gz WXWOABWFGIPSIU-GFCCVEGCSA-N 1 0 319.246 4.545 10 0 DJAERO C[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000062184751 184216129 /nfs/dbraw/zinc/21/61/29/184216129.db2.gz VGDFKIYXTMJZLI-NEPJUHHUSA-N 1 0 324.287 4.792 10 0 DJAERO C[C@@H]([NH3+])Cc1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 ZINC000062770826 184252982 /nfs/dbraw/zinc/25/29/82/184252982.db2.gz HHNUCYLNUZHOML-SSDOTTSWSA-N 1 0 304.604 4.797 10 0 DJAERO CCC[NH2+][C@@H](C)Cc1ccc(-c2ccccc2Br)o1 ZINC000062770695 184253014 /nfs/dbraw/zinc/25/30/14/184253014.db2.gz PDWXAYVCEIMJHK-LBPRGKRZSA-N 1 0 322.246 4.640 10 0 DJAERO CC[NH2+][C@@H](C)Cc1ccc(-c2cc(Br)ccc2C)o1 ZINC000062770893 184253273 /nfs/dbraw/zinc/25/32/73/184253273.db2.gz OUXMGWBVYBFAEI-LBPRGKRZSA-N 1 0 322.246 4.558 10 0 DJAERO COc1cc2[nH+]ccc(Nc3cc(C)cc(C)c3)c2cc1OC ZINC000065005244 184308571 /nfs/dbraw/zinc/30/85/71/184308571.db2.gz VWGFZZYRZAMZOU-UHFFFAOYSA-N 1 0 308.381 4.612 10 0 DJAERO C[C@@H]1C[C@@H](C)CC[N@@H+]1[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000100363658 257232252 /nfs/dbraw/zinc/23/22/52/257232252.db2.gz QMSHXKQCTXFXMH-XWDORNJCSA-N 1 0 309.453 4.582 10 0 DJAERO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccc(Cl)cn1 ZINC000274857646 130267246 /nfs/dbraw/zinc/26/72/46/130267246.db2.gz CJBAAPSOPOZRKP-BMQDGWLCSA-N 1 0 306.759 4.507 10 0 DJAERO CC[C@H]([NH2+][C@H]1CCOc2ccccc21)c1cccc(Cl)c1 ZINC000036921388 331525702 /nfs/dbraw/zinc/52/57/02/331525702.db2.gz MSHXIAIZPOPRNJ-IRXDYDNUSA-N 1 0 301.817 4.905 10 0 DJAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(F)cc(F)c1 ZINC000228322742 333176402 /nfs/dbraw/zinc/17/64/02/333176402.db2.gz SZELFSLCGMUDOG-PXWWUCIGSA-N 1 0 307.306 4.737 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)c1csc(Cl)c1 ZINC000390560375 333300820 /nfs/dbraw/zinc/30/08/20/333300820.db2.gz LJORNTWMNYFEET-QWHCGFSZSA-N 1 0 309.862 4.657 10 0 DJAERO C[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1ccc(Cl)s1 ZINC000062706593 333335971 /nfs/dbraw/zinc/33/59/71/333335971.db2.gz YOXOUSICRJXHMR-SSDOTTSWSA-N 1 0 305.752 4.670 10 0 DJAERO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Br)cc1C ZINC000048819707 334301207 /nfs/dbraw/zinc/30/12/07/334301207.db2.gz RLKGHNZPRYCTNQ-AWEZNQCLSA-N 1 0 318.258 4.917 10 0 DJAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000192792705 336261880 /nfs/dbraw/zinc/26/18/80/336261880.db2.gz UTPCFBIEFKPJQX-LRDDRELGSA-N 1 0 321.342 4.880 10 0 DJAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1C(F)(F)F ZINC000192794534 336262039 /nfs/dbraw/zinc/26/20/39/336262039.db2.gz VMSDZRNHNVCZNR-LRDDRELGSA-N 1 0 321.342 4.880 10 0 DJAERO COc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCOc4ccccc43)oc21 ZINC000192793511 336262151 /nfs/dbraw/zinc/26/21/51/336262151.db2.gz XKKQHTXKVPEXJO-CZUORRHYSA-N 1 0 323.392 4.616 10 0 DJAERO Clc1ccc([C@@H]([NH2+][C@H]2CCOc3ccccc32)C2CC2)cc1 ZINC000193003062 336286920 /nfs/dbraw/zinc/28/69/20/336286920.db2.gz JROKMSPZJGPCII-HKUYNNGSSA-N 1 0 313.828 4.905 10 0 DJAERO CCc1cnc([C@H](C)Nc2cc(C)[nH+]c3ccc(F)cc23)s1 ZINC000301683018 336323282 /nfs/dbraw/zinc/32/32/82/336323282.db2.gz SPVXUILLLPTAJV-NSHDSACASA-N 1 0 315.417 4.874 10 0 DJAERO Cc1cc2c(cc1C)[C@@H]([NH2+][C@@H]1CCOc3ccccc31)CCCO2 ZINC000178275174 337162004 /nfs/dbraw/zinc/16/20/04/337162004.db2.gz ZFTRWGLDOGKVMJ-RBUKOAKNSA-N 1 0 323.436 4.631 10 0 DJAERO CC[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(F)cc1F ZINC000178275400 337162020 /nfs/dbraw/zinc/16/20/20/337162020.db2.gz QVPQUQPIRLMPJG-SJORKVTESA-N 1 0 303.352 4.529 10 0 DJAERO C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1cc(F)ccc1F ZINC000178607315 337165400 /nfs/dbraw/zinc/16/54/00/337165400.db2.gz UAAMXYQHSFUKEU-VLIAUNLRSA-N 1 0 324.374 4.800 10 0 DJAERO C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1cc(F)ccc1F ZINC000178607333 337165466 /nfs/dbraw/zinc/16/54/66/337165466.db2.gz UAAMXYQHSFUKEU-JLTOFOAXSA-N 1 0 324.374 4.800 10 0 DJAERO Fc1cccc2c1OCC[C@@H]2N[C@@H](c1ccco1)c1ccccc1 ZINC000188040015 337270139 /nfs/dbraw/zinc/27/01/39/337270139.db2.gz BTNDGKZHHNJLOR-PKOBYXMFSA-N 1 0 323.367 4.622 10 0 DJAERO C[C@H]([NH2+]Cc1cc(F)cc2cccnc21)c1ccc(Cl)s1 ZINC000193111025 337308361 /nfs/dbraw/zinc/30/83/61/337308361.db2.gz IFDSHIWMLCJPOH-JTQLQIEISA-N 1 0 320.820 4.940 10 0 DJAERO O=C(C[NH2+]C1CCCCC1)Nc1ccc(C2CCCCC2)cc1 ZINC000584590839 337373381 /nfs/dbraw/zinc/37/33/81/337373381.db2.gz ZILHBKOCWOXXPJ-UHFFFAOYSA-N 1 0 314.473 4.595 10 0 DJAERO [NH2+]=C1Nc2ccccc2[C@H](c2ccccc2)N1Cc1ccccc1 ZINC000584656610 337378068 /nfs/dbraw/zinc/37/80/68/337378068.db2.gz NGBFWEGSMYNFNK-FQEVSTJZSA-N 1 0 313.404 4.638 10 0 DJAERO CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000246354238 337538499 /nfs/dbraw/zinc/53/84/99/337538499.db2.gz HYBYOENRZBTKTC-SNRMKQJTSA-N 1 0 319.514 4.515 10 0 DJAERO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000177777895 340443471 /nfs/dbraw/zinc/44/34/71/340443471.db2.gz FMHIUDAOZAKUIJ-NEPJUHHUSA-N 1 0 300.471 4.567 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc(F)cc1OC(F)F ZINC000178178426 340447530 /nfs/dbraw/zinc/44/75/30/340447530.db2.gz NALZRWOUNUPGHG-ZJUUUORDSA-N 1 0 315.360 4.900 10 0 DJAERO COc1ccsc1[C@H](C)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000186195495 340509345 /nfs/dbraw/zinc/50/93/45/340509345.db2.gz ZSELGCVXKAALEY-JSGCOSHPSA-N 1 0 317.454 4.710 10 0 DJAERO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cnn1C(C)C ZINC000191155499 340550791 /nfs/dbraw/zinc/55/07/91/340550791.db2.gz GFQIWOFGJMDEEV-FPMFFAJLSA-N 1 0 317.399 4.544 10 0 DJAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(F)c(Cl)c1 ZINC000037074257 340746037 /nfs/dbraw/zinc/74/60/37/340746037.db2.gz YKTAJWOQQFFKFB-BZNIZROVSA-N 1 0 305.780 4.654 10 0 DJAERO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1cc(F)ccc1F ZINC000037092573 340749040 /nfs/dbraw/zinc/74/90/40/340749040.db2.gz NNYISNUOFCIVPJ-GRZMOONWSA-N 1 0 307.306 4.737 10 0 DJAERO COc1ccccc1[C@H](C)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000128941000 340930058 /nfs/dbraw/zinc/93/00/58/340930058.db2.gz KDFTVWJGKNZGMU-WMLDXEAASA-N 1 0 311.425 4.648 10 0 DJAERO COc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248623181 341381930 /nfs/dbraw/zinc/38/19/30/341381930.db2.gz BPWOKGSVRBCTOW-HBNTYKKESA-N 1 0 307.381 4.528 10 0 DJAERO Cc1ccccc1[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccccc1 ZINC000248867281 341388937 /nfs/dbraw/zinc/38/89/37/341388937.db2.gz QHCUNFXAPAQQMU-CEMLEFRQSA-N 1 0 321.464 4.632 10 0 DJAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccsc1Cl ZINC000312769768 518162672 /nfs/dbraw/zinc/16/26/72/518162672.db2.gz PYMMZBZPSQXHQC-OAHLLOKOSA-N 1 0 307.846 4.577 10 0 DJAERO C[C@H]([NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)c1cccs1 ZINC000179972272 525538403 /nfs/dbraw/zinc/53/84/03/525538403.db2.gz ZIOTXBZVWLDNEK-QWRGUYRKSA-N 1 0 319.861 4.700 10 0 DJAERO CCCCCC[NH2+]Cc1ccc(OCC)c(Br)c1 ZINC000010474844 563357743 /nfs/dbraw/zinc/35/77/43/563357743.db2.gz OAMMKJGRXMUGNX-UHFFFAOYSA-N 1 0 314.267 4.518 10 0 DJAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000032627790 563443539 /nfs/dbraw/zinc/44/35/39/563443539.db2.gz CWLMKZQZGZWEAK-WRWGMCAJSA-N 1 0 317.317 4.818 10 0 DJAERO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010474920 563649131 /nfs/dbraw/zinc/64/91/31/563649131.db2.gz SLEFOFFGZYTYML-CQSZACIVSA-N 1 0 303.833 4.807 10 0 DJAERO Clc1ccc(CC[NH2+]Cc2cccc(Cl)c2Cl)cc1 ZINC000013721283 563663100 /nfs/dbraw/zinc/66/31/00/563663100.db2.gz KTNLNQXMNZCCSD-UHFFFAOYSA-N 1 0 314.643 4.979 10 0 DJAERO Cc1cc(C)cc(C(OC[C@@H]2CCC[NH2+]2)c2cc(C)cc(C)c2)c1 ZINC000083295414 185221745 /nfs/dbraw/zinc/22/17/45/185221745.db2.gz VNXBFOZQTCJIGM-NRFANRHFSA-N 1 0 323.480 4.778 10 0 DJAERO Nc1ccc2sc(C[NH+]3CCC(c4ccccc4)CC3)cc2c1 ZINC000090600120 185305756 /nfs/dbraw/zinc/30/57/56/185305756.db2.gz VSRBDXNMFGFCDJ-UHFFFAOYSA-N 1 0 322.477 4.863 10 0 DJAERO c1[nH]c2ccccc2c1CC1CC[NH+](CCc2ccccc2)CC1 ZINC000002026479 180906639 /nfs/dbraw/zinc/90/66/39/180906639.db2.gz LHCNFIBFIPHWKR-UHFFFAOYSA-N 1 0 318.464 4.665 10 0 DJAERO C[NH+](C)CCO[C@@H](c1ccccc1)c1ccccc1C(C)(C)C ZINC000005439905 181243419 /nfs/dbraw/zinc/24/34/19/181243419.db2.gz OGNRRAFRDFGFKA-FQEVSTJZSA-N 1 0 311.469 4.652 10 0 in-man DJAERO COc1ccc(C[C@@H]2C(C)=C(C)CC[N@H+]2Cc2ccccc2)cc1 ZINC000005766537 181282234 /nfs/dbraw/zinc/28/22/34/181282234.db2.gz FGVXHUJLIAKCEK-JOCHJYFZSA-N 1 0 321.464 4.849 10 0 DJAERO C[C@H](CCc1ccccc1)[NH2+]Cc1ccccc1C(F)(F)F ZINC000013726118 181884424 /nfs/dbraw/zinc/88/44/24/181884424.db2.gz NPCZOESNRSTBTA-CQSZACIVSA-N 1 0 307.359 4.816 10 0 DJAERO CC(C)c1ccc([C@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000019804142 182151666 /nfs/dbraw/zinc/15/16/66/182151666.db2.gz HYDISAMGPAWYOU-INIZCTEOSA-N 1 0 304.231 4.621 10 0 DJAERO CC[C@@H]([NH2+]Cc1ccccc1F)c1ccc(Br)cc1 ZINC000019950246 182169281 /nfs/dbraw/zinc/16/92/81/182169281.db2.gz XOEGTIDFUSLKBQ-MRXNPFEDSA-N 1 0 322.221 4.829 10 0 DJAERO Cc1ccc(C[NH2+][C@@H](C)c2cccc(Br)c2)cc1 ZINC000019962398 182170551 /nfs/dbraw/zinc/17/05/51/182170551.db2.gz BWUDDVNZYZELRP-ZDUSSCGKSA-N 1 0 304.231 4.608 10 0 DJAERO Cc1cc(C)c([C@H]([NH3+])c2ccc(F)cc2Br)c(C)c1 ZINC000019968641 182171382 /nfs/dbraw/zinc/17/13/82/182171382.db2.gz XPMDNNADIXLYSI-MRXNPFEDSA-N 1 0 322.221 4.562 10 0 DJAERO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019971870 182172005 /nfs/dbraw/zinc/17/20/05/182172005.db2.gz UWLUBFKFHOFZIO-NSHDSACASA-N 1 0 310.157 4.514 10 0 DJAERO C[C@@H]([NH3+])c1cc(F)ccc1Oc1cc(Cl)ccc1Cl ZINC000020015135 182178458 /nfs/dbraw/zinc/17/84/58/182178458.db2.gz CEAWNNMOCITYQN-MRVPVSSYSA-N 1 0 300.160 4.945 10 0 DJAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1Br ZINC000020129780 182189967 /nfs/dbraw/zinc/18/99/67/182189967.db2.gz XSSFXMSGTDWUKQ-PXAZEXFGSA-N 1 0 316.242 4.787 10 0 DJAERO C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000020124150 182190209 /nfs/dbraw/zinc/19/02/09/182190209.db2.gz JXWZCALFIYFRDL-LLVKDONJSA-N 1 0 324.649 4.953 10 0 DJAERO CC[C@@H]([NH2+]Cc1cccc(C)c1)c1ccc(Br)cc1 ZINC000020134206 182190563 /nfs/dbraw/zinc/19/05/63/182190563.db2.gz DDGQUIIVXRAKQZ-QGZVFWFLSA-N 1 0 318.258 4.998 10 0 DJAERO [NH3+]Cc1sc(-c2cccc(Cl)c2)nc1-c1ccccc1 ZINC000020184381 182194900 /nfs/dbraw/zinc/19/49/00/182194900.db2.gz OKGZUMDPCDJKLD-UHFFFAOYSA-N 1 0 300.814 4.589 10 0 DJAERO C[C@H](CCc1ccco1)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000020144691 182191782 /nfs/dbraw/zinc/19/17/82/182191782.db2.gz JIEQWYUOSPYLAZ-CHWSQXEVSA-N 1 0 322.246 4.714 10 0 DJAERO CCN(Cc1ccccc1)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020226299 182198933 /nfs/dbraw/zinc/19/89/33/182198933.db2.gz KYDQCRFXFCTLRG-HXUWFJFHSA-N 1 0 310.485 4.506 10 0 DJAERO [NH3+]Cc1c(Cl)cccc1Oc1ccc(Cl)cc1Cl ZINC000020470297 182221557 /nfs/dbraw/zinc/22/15/57/182221557.db2.gz CDUFLVZWPUXNPO-UHFFFAOYSA-N 1 0 302.588 4.898 10 0 DJAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000020549976 182230300 /nfs/dbraw/zinc/23/03/00/182230300.db2.gz UMFFVWZOZCZXOP-INIZCTEOSA-N 1 0 309.240 4.520 10 0 DJAERO CCCC[C@@H](CC)[C@H]([NH3+])c1cc(Br)ccc1OC ZINC000020586535 182235509 /nfs/dbraw/zinc/23/55/09/182235509.db2.gz VZYBMPKPAWDIGO-ABAIWWIYSA-N 1 0 314.267 4.674 10 0 DJAERO CCCCC[NH2+]Cc1cc(Cl)c(OCCC)c(OCC)c1 ZINC000020931931 182255091 /nfs/dbraw/zinc/25/50/91/182255091.db2.gz ORFKRZCLSULLJS-UHFFFAOYSA-N 1 0 313.869 4.807 10 0 DJAERO CCCOc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1Cl ZINC000020925640 182254457 /nfs/dbraw/zinc/25/44/57/182254457.db2.gz ZEZHUKFCVUDJDJ-UHFFFAOYSA-N 1 0 303.833 4.727 10 0 DJAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]CC(C)C)o1 ZINC000020875919 182251602 /nfs/dbraw/zinc/25/16/02/182251602.db2.gz OUZMVIXYSZWYIN-UHFFFAOYSA-N 1 0 322.246 4.763 10 0 DJAERO CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000020875124 182251713 /nfs/dbraw/zinc/25/17/13/182251713.db2.gz IOCZACXWJDYQMO-UHFFFAOYSA-N 1 0 303.833 4.727 10 0 DJAERO CCn1cc(C[NH2+][C@H](C)CCc2ccccc2)c2ccccc21 ZINC000020935339 182255418 /nfs/dbraw/zinc/25/54/18/182255418.db2.gz PBBLBUDZWPANKJ-QGZVFWFLSA-N 1 0 306.453 4.772 10 0 DJAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000021790145 182288915 /nfs/dbraw/zinc/28/89/15/182288915.db2.gz LTWPLSSCYRFMCS-HNNXBMFYSA-N 1 0 309.240 4.520 10 0 DJAERO NC(=[NH2+])c1ccccc1CSc1cc(Cl)ccc1Cl ZINC000021798616 182290579 /nfs/dbraw/zinc/29/05/79/182290579.db2.gz MJVAFYCQHGVREZ-UHFFFAOYSA-N 1 0 311.237 4.570 10 0 DJAERO CCC[NH2+]Cc1ccccc1OCc1c(F)cccc1Cl ZINC000032209205 182637800 /nfs/dbraw/zinc/63/78/00/182637800.db2.gz MTSIQRNGENJMJK-UHFFFAOYSA-N 1 0 307.796 4.558 10 0 DJAERO CC1CCC([NH2+]C2CC(c3ccccc3Br)C2)CC1 ZINC000036842041 182847864 /nfs/dbraw/zinc/84/78/64/182847864.db2.gz XSMYFGAPOQOZIQ-UHFFFAOYSA-N 1 0 322.290 4.863 10 0 DJAERO CCC[C@H]([NH3+])c1ccc(-c2ccccc2Br)s1 ZINC000036927947 182853118 /nfs/dbraw/zinc/85/31/18/182853118.db2.gz XAIRSGPIHMBDTB-LBPRGKRZSA-N 1 0 310.260 4.978 10 0 DJAERO C[C@@H]([NH2+]C1CCCCC1)c1ccc(F)c(Br)c1 ZINC000037509908 182902843 /nfs/dbraw/zinc/90/28/43/182902843.db2.gz VBQOBLBUJDIVMT-SNVBAGLBSA-N 1 0 300.215 4.572 10 0 DJAERO CC[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000038096223 182988733 /nfs/dbraw/zinc/98/87/33/182988733.db2.gz FHJIRVPXKJMVJB-DOMZBBRYSA-N 1 0 302.245 4.603 10 0 DJAERO Cc1cccc(C[C@H](C[NH3+])Cc2ccc(Cl)cc2Cl)c1 ZINC000041541348 183201458 /nfs/dbraw/zinc/20/14/58/183201458.db2.gz KNRPBRBCEVARTJ-AWEZNQCLSA-N 1 0 308.252 4.662 10 0 DJAERO Cc1ccc(OCc2ccc(Cl)cc2Cl)c([C@H](C)[NH3+])c1 ZINC000041544773 183201751 /nfs/dbraw/zinc/20/17/51/183201751.db2.gz LZQRJBIXPQKXKK-NSHDSACASA-N 1 0 310.224 4.901 10 0 DJAERO C[C@@H]([NH2+]CCc1ccsc1)c1ccc(Cl)cc1Cl ZINC000042599126 183289513 /nfs/dbraw/zinc/28/95/13/183289513.db2.gz UJKPPLHCUZZUOY-SNVBAGLBSA-N 1 0 300.254 4.948 10 0 DJAERO CC[NH2+][C@H](c1sccc1C)c1ccc(Br)cc1C ZINC000042729636 183302728 /nfs/dbraw/zinc/30/27/28/183302728.db2.gz HGMINAVOUIQWFV-AWEZNQCLSA-N 1 0 324.287 4.826 10 0 DJAERO CC[C@H]([NH3+])[C@H](SCC(C)C)c1cccc(Br)c1 ZINC000043024832 183331205 /nfs/dbraw/zinc/33/12/05/183331205.db2.gz ROVIFOXENHONDV-UONOGXRCSA-N 1 0 316.308 4.617 10 0 DJAERO Cc1ccccc1[C@H](C[NH3+])Sc1ccccc1Br ZINC000043041496 183332032 /nfs/dbraw/zinc/33/20/32/183332032.db2.gz HHUVWPCGLUJSRB-HNNXBMFYSA-N 1 0 322.271 4.550 10 0 DJAERO CC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(Cl)cc1Cl ZINC000042815127 183312093 /nfs/dbraw/zinc/31/20/93/183312093.db2.gz MHYHOPMDXCXDFL-DOMZBBRYSA-N 1 0 302.245 4.603 10 0 DJAERO CC[NH+](CC)c1ccc(NCc2ccc(Br)o2)cc1 ZINC000057671172 184045904 /nfs/dbraw/zinc/04/59/04/184045904.db2.gz YVOSMFCOCDANKL-UHFFFAOYSA-N 1 0 323.234 4.500 10 0 DJAERO CC(C)(C)c1ccc([C@H](C[NH3+])Nc2ccc(Cl)cc2)cc1 ZINC000057631212 184043173 /nfs/dbraw/zinc/04/31/73/184043173.db2.gz HLEOURDRJRVFRP-KRWDZBQOSA-N 1 0 302.849 4.749 10 0 DJAERO Fc1ccc(-c2nn(-c3cc[nH+]cc3)c3cc(Cl)ccc32)cc1 ZINC000059051543 184134470 /nfs/dbraw/zinc/13/44/70/184134470.db2.gz NMVGBOPGGCKZSI-UHFFFAOYSA-N 1 0 323.758 4.880 10 0 DJAERO CC[NH2+][C@@H](Cc1cccs1)Cc1c(Cl)cccc1Cl ZINC000060701594 184154493 /nfs/dbraw/zinc/15/44/93/184154493.db2.gz OBTLFXACJDHJPK-NSHDSACASA-N 1 0 314.281 4.818 10 0 DJAERO C[C@@H]([NH3+])c1ccc(OC2CCCCCC2)c(Br)c1 ZINC000061699546 184183935 /nfs/dbraw/zinc/18/39/35/184183935.db2.gz JGVXXUGPQCGCFV-LLVKDONJSA-N 1 0 312.251 4.570 10 0 DJAERO [NH3+][C@H](c1ccc(F)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000062792163 184253048 /nfs/dbraw/zinc/25/30/48/184253048.db2.gz PISGOAWZVDTOHB-CYBMUJFWSA-N 1 0 304.579 4.834 10 0 DJAERO CCC[NH2+][C@H](C)Cc1ccc(-c2ccccc2Br)o1 ZINC000062770696 184253297 /nfs/dbraw/zinc/25/32/97/184253297.db2.gz PDWXAYVCEIMJHK-GFCCVEGCSA-N 1 0 322.246 4.640 10 0 DJAERO CCc1ccc(Nc2cc[nH+]c3cc(OC)c(OC)cc23)cc1 ZINC000065005345 184308564 /nfs/dbraw/zinc/30/85/64/184308564.db2.gz ORXXEXVFPDUNFS-UHFFFAOYSA-N 1 0 308.381 4.558 10 0 DJAERO C[C@@H](C[NH2+]C1CCCCC1)Oc1ccc(Cl)cc1Cl ZINC000066163181 184394719 /nfs/dbraw/zinc/39/47/19/184394719.db2.gz XZQFQUBXGSBENR-NSHDSACASA-N 1 0 302.245 4.683 10 0 DJAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1nc2ccccc2n1C ZINC000120330965 132142780 /nfs/dbraw/zinc/14/27/80/132142780.db2.gz FMCCORYOZDTZKP-STQMWFEESA-N 1 0 313.832 4.639 10 0 DJAERO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000042790517 132152545 /nfs/dbraw/zinc/15/25/45/132152545.db2.gz MQWJXMBQEBMNPA-OAHLLOKOSA-N 1 0 324.468 4.793 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccc(F)cn1 ZINC000092195298 332116433 /nfs/dbraw/zinc/11/64/33/332116433.db2.gz ZHTQGQJIADWDGB-VHSXEESVSA-N 1 0 313.203 4.939 10 0 DJAERO C[C@H](COCc1ccccc1)[NH2+]Cc1ccc2ccccc2c1 ZINC000390519167 333289287 /nfs/dbraw/zinc/28/92/87/333289287.db2.gz FHZGSKWQCRNQSK-QGZVFWFLSA-N 1 0 305.421 4.535 10 0 DJAERO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000020555113 333323080 /nfs/dbraw/zinc/32/30/80/333323080.db2.gz VKJWONBOZAIKFL-LLVKDONJSA-N 1 0 310.224 4.853 10 0 DJAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(Br)ccc32)o1 ZINC000040227006 333341669 /nfs/dbraw/zinc/34/16/69/333341669.db2.gz ZQGYNBMAULFTIR-NHYWBVRUSA-N 1 0 320.230 4.689 10 0 DJAERO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(OC)c1)c1cccs1 ZINC000040490961 333353779 /nfs/dbraw/zinc/35/37/79/333353779.db2.gz GUDDPJICMOPVCA-JSGCOSHPSA-N 1 0 305.443 4.567 10 0 DJAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(OC)c1)c1cccs1 ZINC000040490962 333353798 /nfs/dbraw/zinc/35/37/98/333353798.db2.gz GUDDPJICMOPVCA-GXTWGEPZSA-N 1 0 305.443 4.567 10 0 DJAERO Cc1ccc([C@H](C)[NH2+]Cc2cccc(Br)c2)cc1C ZINC000048817857 334301358 /nfs/dbraw/zinc/30/13/58/334301358.db2.gz NEMCKDKUCAFSCG-AWEZNQCLSA-N 1 0 318.258 4.917 10 0 DJAERO CC[C@H]([NH2+][C@@H]1CCCc2cc(OC)ccc21)c1cccs1 ZINC000049529133 334345336 /nfs/dbraw/zinc/34/53/36/334345336.db2.gz ULXARDMMIACQRO-DLBZAZTESA-N 1 0 301.455 4.875 10 0 DJAERO Cc1ccc(C[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)s1 ZINC000050225215 334376526 /nfs/dbraw/zinc/37/65/26/334376526.db2.gz OXHSAPHWGNKFIU-OAHLLOKOSA-N 1 0 303.471 4.942 10 0 DJAERO CC(C)Oc1ccc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)cc1 ZINC000192706629 336259050 /nfs/dbraw/zinc/25/90/50/336259050.db2.gz WYUDDOCYQAILJX-BEFAXECRSA-N 1 0 311.425 4.648 10 0 DJAERO Cc1cccc2c(NC[C@H]3CCO[C@H]3c3ccccc3)cc[nH+]c12 ZINC000301663688 336321794 /nfs/dbraw/zinc/32/17/94/336321794.db2.gz KOIISZJYRAAXDX-UTKZUKDTSA-N 1 0 318.420 4.733 10 0 DJAERO Cc1cccc2c(NC3CCN(c4cccs4)CC3)cc[nH+]c12 ZINC000301688164 336323555 /nfs/dbraw/zinc/32/35/55/336323555.db2.gz VJRJUOJESGRNDD-UHFFFAOYSA-N 1 0 323.465 4.686 10 0 DJAERO Cc1ccccc1C[NH2+][C@@H](C)c1ccccc1Br ZINC000034992182 336384905 /nfs/dbraw/zinc/38/49/05/336384905.db2.gz PFYINUQMRXRUJM-ZDUSSCGKSA-N 1 0 304.231 4.608 10 0 DJAERO C[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccccc1F ZINC000178606329 337165387 /nfs/dbraw/zinc/16/53/87/337165387.db2.gz ZVMXHQHAEXTCIE-YWZLYKJASA-N 1 0 306.384 4.661 10 0 DJAERO C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1cccc(F)c1 ZINC000178612737 337165441 /nfs/dbraw/zinc/16/54/41/337165441.db2.gz AGHJKKNEPPCPAX-FOIQADDNSA-N 1 0 306.384 4.661 10 0 DJAERO C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1cc(F)cc(F)c1 ZINC000178610712 337165480 /nfs/dbraw/zinc/16/54/80/337165480.db2.gz KNRCUQMPSBOIOX-VLIAUNLRSA-N 1 0 324.374 4.800 10 0 DJAERO Cc1cccc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)c1 ZINC000178614408 337165543 /nfs/dbraw/zinc/16/55/43/337165543.db2.gz KGKYYNGCTMJCQO-UTKZUKDTSA-N 1 0 302.421 4.830 10 0 DJAERO CCC(CC)c1cc[n+](C[C@H]2CCC3(CCCCC3)O2)cc1 ZINC000191698737 337300697 /nfs/dbraw/zinc/30/06/97/337300697.db2.gz IQMYGGQBUSCMIG-LJQANCHMSA-N 1 0 302.482 4.760 10 0 DJAERO CC(=O)O[C@H]1CCCCCCCCCC[C@H]1[NH+]1CCCCC1 ZINC000584600567 337370881 /nfs/dbraw/zinc/37/08/81/337370881.db2.gz QVXUXGOJHBYJOU-MOPGFXCFSA-N 1 0 309.494 4.687 10 0 DJAERO C[NH+](C)Cc1cccc(Sc2cc(Cl)nc(Cl)c2)c1 ZINC000584595205 337373968 /nfs/dbraw/zinc/37/39/68/337373968.db2.gz PQWUYOGDUBEOOO-UHFFFAOYSA-N 1 0 313.253 4.601 10 0 DJAERO CC(C)([NH3+])[C@@H](Cc1ccccc1)c1cccc(Br)c1 ZINC000584595910 337374111 /nfs/dbraw/zinc/37/41/11/337374111.db2.gz KXNGUYUIZQLIFJ-INIZCTEOSA-N 1 0 318.258 4.513 10 0 DJAERO COc1ccc(Nc2cc(C)[nH+]c3c2cc(C)cc3C2CC2)cc1 ZINC000584637506 337379569 /nfs/dbraw/zinc/37/95/69/337379569.db2.gz UUCJKDSKAPNJLD-UHFFFAOYSA-N 1 0 318.420 4.903 10 0 DJAERO CC/C=C/CC[N@@H+]1CC[C@](CC(C)C)(c2cccc(O)c2)C1 ZINC000584650280 337380789 /nfs/dbraw/zinc/38/07/89/337380789.db2.gz ZAQXAGSXLGVQFY-RRFGBZISSA-N 1 0 301.474 4.738 10 0 DJAERO Cc1ccc([C@H](C)[NH2+]Cc2cnc(C(C)(C)C)s2)c(C)c1 ZINC000059181040 337888903 /nfs/dbraw/zinc/88/89/03/337888903.db2.gz DWAJBRYZRXSXSC-AWEZNQCLSA-N 1 0 302.487 4.908 10 0 DJAERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)c(OC)c1 ZINC000121964531 337903813 /nfs/dbraw/zinc/90/38/13/337903813.db2.gz WAIKJGHLVGUXQD-KBPBESRZSA-N 1 0 317.404 4.563 10 0 DJAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)c3cccnc23)o1 ZINC000166413466 339053268 /nfs/dbraw/zinc/05/32/68/339053268.db2.gz HZADKTXBMLVMIZ-LBPRGKRZSA-N 1 0 300.789 4.640 10 0 DJAERO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2cccc(Br)c2)c1 ZINC000184266329 340491585 /nfs/dbraw/zinc/49/15/85/340491585.db2.gz FBZGXHCAYHNLQE-CHWSQXEVSA-N 1 0 319.246 4.564 10 0 DJAERO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC(C)C)cc2)c1 ZINC000184388637 340492618 /nfs/dbraw/zinc/49/26/18/340492618.db2.gz NLYDPKHPOMGFKH-IAGOWNOFSA-N 1 0 312.457 4.837 10 0 DJAERO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 ZINC000037141735 340763078 /nfs/dbraw/zinc/76/30/78/340763078.db2.gz VKVOGODOHMIWFR-DLOVCJGASA-N 1 0 307.306 4.737 10 0 DJAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC(C)(C)Oc3ccccc31)CC2 ZINC000124180820 340797665 /nfs/dbraw/zinc/79/76/65/340797665.db2.gz DOWACRSKHREWFQ-OALUTQOASA-N 1 0 323.436 4.575 10 0 DJAERO C[C@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)c1ccc(F)c(F)c1 ZINC000126482367 340827570 /nfs/dbraw/zinc/82/75/70/340827570.db2.gz USXDCBUHHJOUAX-QWRGUYRKSA-N 1 0 318.392 4.986 10 0 DJAERO COc1ccccc1C[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131110808 341061567 /nfs/dbraw/zinc/06/15/67/341061567.db2.gz ZARNGOGLWUKCRE-SFHVURJKSA-N 1 0 323.436 4.621 10 0 DJAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C)c1ccccc1Cl ZINC000247537319 341366797 /nfs/dbraw/zinc/36/67/97/341366797.db2.gz COXFYFYEYURLKS-DYVFJYSZSA-N 1 0 317.864 4.588 10 0 DJAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)cc1 ZINC000182224280 519733812 /nfs/dbraw/zinc/73/38/12/519733812.db2.gz IOYITQMUHSGLBW-LRAJWGHMSA-N 1 0 322.452 4.538 10 0 DJAERO CC(C)COc1ccc([C@H](C)[NH2+]Cc2cnc(Cl)s2)cc1 ZINC000181399101 519763864 /nfs/dbraw/zinc/76/38/64/519763864.db2.gz CDMUFUZKPCIWKV-LBPRGKRZSA-N 1 0 324.877 4.682 10 0 DJAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccs1)CCS2 ZINC000191486805 525592451 /nfs/dbraw/zinc/59/24/51/525592451.db2.gz VBANGDRARJOLIP-BXUZGUMPSA-N 1 0 305.468 4.644 10 0 DJAERO CC(C)[NH2+]Cc1ccccc1OCc1ccc(F)cc1Cl ZINC000037702679 563415996 /nfs/dbraw/zinc/41/59/96/563415996.db2.gz ARJQOIJADRDHAG-UHFFFAOYSA-N 1 0 307.796 4.556 10 0 DJAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000032627792 563443076 /nfs/dbraw/zinc/44/30/76/563443076.db2.gz CWLMKZQZGZWEAK-KKOKHZNYSA-N 1 0 317.317 4.818 10 0 DJAERO CC1CCC(CC[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000070538351 563451447 /nfs/dbraw/zinc/45/14/47/563451447.db2.gz FMPKOMILQFTYPW-UHFFFAOYSA-N 1 0 310.279 4.755 10 0 DJAERO C[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000080065887 563460893 /nfs/dbraw/zinc/46/08/93/563460893.db2.gz CPHZOOCKXLBTEH-UHFFFAOYSA-N 1 0 319.235 4.716 10 0 DJAERO CC[NH2+]Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000033454432 563770347 /nfs/dbraw/zinc/77/03/47/563770347.db2.gz WPTYCYYSBBIIJI-UHFFFAOYSA-N 1 0 310.224 4.682 10 0 DJAERO CCCc1nc(-c2ccc(Cl)cc2)sc1C[NH2+]C1CC1 ZINC000082427081 185181048 /nfs/dbraw/zinc/18/10/48/185181048.db2.gz BVXHZDYZRGTIRZ-UHFFFAOYSA-N 1 0 306.862 4.668 10 0 DJAERO CCC[NH2+]Cc1sc(CCc2ccccc2)nc1C(C)C ZINC000082435004 185182294 /nfs/dbraw/zinc/18/22/94/185182294.db2.gz AHIGRYBJIXHVPT-UHFFFAOYSA-N 1 0 302.487 4.551 10 0 DJAERO CC(C)[NH2+]Cc1sc(-c2ccccc2Cl)nc1C1CC1 ZINC000082435499 185182346 /nfs/dbraw/zinc/18/23/46/185182346.db2.gz DWWQSLAOHBWHMU-UHFFFAOYSA-N 1 0 306.862 4.839 10 0 DJAERO CCC[NH2+]Cc1sc(-c2cccc(C)c2)nc1C(C)(C)C ZINC000082439125 185182731 /nfs/dbraw/zinc/18/27/31/185182731.db2.gz KERLLLYOCPDAHN-UHFFFAOYSA-N 1 0 302.487 4.916 10 0 DJAERO CCC[NH2+]Cc1sc(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000082439087 185182920 /nfs/dbraw/zinc/18/29/20/185182920.db2.gz CPFSFUGOXVBCID-UHFFFAOYSA-N 1 0 302.487 4.916 10 0 DJAERO CCOc1ccc(Cl)cc1[C@H](C[NH+]1CCCC1)[C@@H](C)CC ZINC000003627989 181042968 /nfs/dbraw/zinc/04/29/68/181042968.db2.gz KFCXWGVCTPCYRF-WMLDXEAASA-N 1 0 309.881 4.964 10 0 DJAERO Nc1cccc(C2=[NH+]N(c3ccccc3)[C@@H](c3ccccc3)C2)c1 ZINC000005331998 181230445 /nfs/dbraw/zinc/23/04/45/181230445.db2.gz DFVZMWMOHWPXCT-OAQYLSRUSA-N 1 0 313.404 4.625 10 0 DJAERO Clc1cccc(C[NH2+]CCc2ccc(Cl)cc2Cl)c1 ZINC000013723114 181884090 /nfs/dbraw/zinc/88/40/90/181884090.db2.gz DXAUNJVGMWXRPX-UHFFFAOYSA-N 1 0 314.643 4.979 10 0 DJAERO C[C@H]([NH3+])c1cc(F)ccc1Sc1nc2ccccc2s1 ZINC000019230377 182109101 /nfs/dbraw/zinc/10/91/01/182109101.db2.gz HVYSGBBINOSTHS-VIFPVBQESA-N 1 0 304.415 4.606 10 0 DJAERO [NH3+][C@H](c1ccc(Br)cc1)c1cccc2ccccc21 ZINC000019508851 182126466 /nfs/dbraw/zinc/12/64/66/182126466.db2.gz RXEHNRHAGDIBJX-QGZVFWFLSA-N 1 0 312.210 4.650 10 0 DJAERO CC(C)(C)c1ccc(O[C@H](C[NH3+])c2cccc(Cl)c2)cc1 ZINC000019671256 182135028 /nfs/dbraw/zinc/13/50/28/182135028.db2.gz KRXWNBJKWMBYGX-QGZVFWFLSA-N 1 0 303.833 4.716 10 0 DJAERO Cc1ccc(C[NH2+][C@H](C)c2cccc(Br)c2)cc1 ZINC000019962396 182170508 /nfs/dbraw/zinc/17/05/08/182170508.db2.gz BWUDDVNZYZELRP-CYBMUJFWSA-N 1 0 304.231 4.608 10 0 DJAERO Cc1cc(C)c([C@H]([NH3+])c2cc(Br)ccc2F)c(C)c1 ZINC000019968709 182171777 /nfs/dbraw/zinc/17/17/77/182171777.db2.gz KVYLTRYZVNXHIB-MRXNPFEDSA-N 1 0 322.221 4.562 10 0 DJAERO Cc1cc(C)c([C@@H]([NH3+])c2ccc(Br)cc2F)c(C)c1 ZINC000019968712 182171790 /nfs/dbraw/zinc/17/17/90/182171790.db2.gz PFVPWPWTRGQIJD-INIZCTEOSA-N 1 0 322.221 4.562 10 0 DJAERO CC(C)C[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019971869 182172438 /nfs/dbraw/zinc/17/24/38/182172438.db2.gz UWLUBFKFHOFZIO-LLVKDONJSA-N 1 0 310.157 4.514 10 0 DJAERO C[C@@H]([NH2+]CCCN(C)c1ccccc1)c1cccc(Cl)c1 ZINC000019988637 182174279 /nfs/dbraw/zinc/17/42/79/182174279.db2.gz GQRYXHUHQVSFTG-OAHLLOKOSA-N 1 0 302.849 4.517 10 0 DJAERO CCC(CC)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019987777 182174694 /nfs/dbraw/zinc/17/46/94/182174694.db2.gz YTHBLDIBECGPBC-LBPRGKRZSA-N 1 0 324.184 4.904 10 0 DJAERO C[C@@H]([NH3+])c1c(F)cccc1Oc1cc(Cl)ccc1Cl ZINC000019995628 182175278 /nfs/dbraw/zinc/17/52/78/182175278.db2.gz MZZFOCVATNPPTE-MRVPVSSYSA-N 1 0 300.160 4.945 10 0 DJAERO Cc1cccc(C[NH2+][C@H](C)c2ccccc2Br)c1 ZINC000020134054 182190735 /nfs/dbraw/zinc/19/07/35/182190735.db2.gz MXEDDUUYSZTHRS-CYBMUJFWSA-N 1 0 304.231 4.608 10 0 DJAERO Cc1ccc(Oc2ccccc2[C@H](C)[NH3+])c(Br)c1 ZINC000020077940 182185200 /nfs/dbraw/zinc/18/52/00/182185200.db2.gz RUFWGTHGUZMSBG-NSHDSACASA-N 1 0 306.203 4.570 10 0 DJAERO Cc1ccc(Oc2ccc([C@H](C)[NH3+])cc2)c(Br)c1 ZINC000020077951 182185429 /nfs/dbraw/zinc/18/54/29/182185429.db2.gz DUSMCZNKDAPXPL-NSHDSACASA-N 1 0 306.203 4.570 10 0 DJAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])CCC(C)C ZINC000020252192 182200042 /nfs/dbraw/zinc/20/00/42/182200042.db2.gz YCQNEEHNSHUTGG-GFCCVEGCSA-N 1 0 320.658 4.547 10 0 DJAERO CCN(c1ccccc1)[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000020563559 182232167 /nfs/dbraw/zinc/23/21/67/182232167.db2.gz ASDKPEGRCDXBEA-MRXNPFEDSA-N 1 0 309.240 4.520 10 0 DJAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000020522902 182227123 /nfs/dbraw/zinc/22/71/23/182227123.db2.gz SFGCAHSPYBXDLK-GHMZBOCLSA-N 1 0 310.235 4.890 10 0 DJAERO Cc1ccccc1[C@H]([NH3+])c1cc2cc(Br)ccc2o1 ZINC000020592753 182235888 /nfs/dbraw/zinc/23/58/88/182235888.db2.gz FOPLNCKYNVIFHJ-INIZCTEOSA-N 1 0 316.198 4.552 10 0 DJAERO CCCC[C@H](CC)[C@@H]([NH3+])c1cc(Br)ccc1OC ZINC000020586532 182236035 /nfs/dbraw/zinc/23/60/35/182236035.db2.gz VZYBMPKPAWDIGO-XHDPSFHLSA-N 1 0 314.267 4.674 10 0 DJAERO CCCCC[NH2+]Cc1ccc(OCCC)c(Br)c1 ZINC000020925931 182254461 /nfs/dbraw/zinc/25/44/61/182254461.db2.gz RWFGDFRHZIXXMY-UHFFFAOYSA-N 1 0 314.267 4.518 10 0 DJAERO CCCOc1ccc(Cl)cc1C[NH2+]Cc1ccc(C)cc1 ZINC000020928966 182254612 /nfs/dbraw/zinc/25/46/12/182254612.db2.gz MCRKLAIYFHJJCA-UHFFFAOYSA-N 1 0 303.833 4.727 10 0 DJAERO CCn1cc(C[NH2+]CCc2ccc(Cl)cc2)c2ccccc21 ZINC000020935302 182255132 /nfs/dbraw/zinc/25/51/32/182255132.db2.gz SMTXRRUFZNPUSM-UHFFFAOYSA-N 1 0 312.844 4.647 10 0 DJAERO Cc1ccc(COc2cccc(C[NH2+]Cc3ccccc3)c2)cc1 ZINC000020874414 182250891 /nfs/dbraw/zinc/25/08/91/182250891.db2.gz YOYZGMWUJPIPCN-UHFFFAOYSA-N 1 0 317.432 4.864 10 0 DJAERO CC(C)(C)[C@@H]1CCCC[C@]1([NH3+])Cc1cccc(Br)c1 ZINC000037530776 182904341 /nfs/dbraw/zinc/90/43/41/182904341.db2.gz PVOADSLLHQHSKZ-RDJZCZTQSA-N 1 0 324.306 4.925 10 0 DJAERO CC[NH+](CC)CCCn1c2ccccc2nc1-c1ccccc1C ZINC000040389589 183059880 /nfs/dbraw/zinc/05/98/80/183059880.db2.gz SUCDZQGBMQVNHR-UHFFFAOYSA-N 1 0 321.468 4.744 10 0 DJAERO CCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1Cl ZINC000040731995 183126540 /nfs/dbraw/zinc/12/65/40/183126540.db2.gz SDOXAPIAUZZOLB-UHFFFAOYSA-N 1 0 307.796 4.558 10 0 DJAERO CCOC(=O)c1ccc(Nc2cc[nH+]c3c(C)c(C)ccc23)cc1 ZINC000041055305 183159987 /nfs/dbraw/zinc/15/99/87/183159987.db2.gz OUDBCGIFJPBQDR-UHFFFAOYSA-N 1 0 320.392 4.772 10 0 DJAERO Cc1cccc(C[C@H](C[NH3+])Cc2ccc(Cl)c(Cl)c2)c1 ZINC000041541359 183201177 /nfs/dbraw/zinc/20/11/77/183201177.db2.gz HBUYWYUGYCGYIO-HNNXBMFYSA-N 1 0 308.252 4.662 10 0 DJAERO Cc1ccc(S[C@H](C[NH3+])c2ccc(Br)cc2)cc1 ZINC000042958747 183323445 /nfs/dbraw/zinc/32/34/45/183323445.db2.gz QLIRBAIEHDXVCJ-OAHLLOKOSA-N 1 0 322.271 4.550 10 0 DJAERO CC[C@@H]([NH3+])[C@H](S[C@@H](C)CC)c1ccc(Br)cc1 ZINC000042959209 183323521 /nfs/dbraw/zinc/32/35/21/183323521.db2.gz ZCMMBFRBLSEACH-ZLKJLUDKSA-N 1 0 316.308 4.759 10 0 DJAERO [NH3+]C[C@H](SC1CCCCC1)c1ccc(Br)cc1 ZINC000042959674 183323667 /nfs/dbraw/zinc/32/36/67/183323667.db2.gz NRASAMZGZSWARI-AWEZNQCLSA-N 1 0 314.292 4.515 10 0 DJAERO [NH3+]C[C@H](SC1CCCCC1)c1cccc(Br)c1 ZINC000043025097 183331166 /nfs/dbraw/zinc/33/11/66/183331166.db2.gz SEWFMWQSOBIUAY-AWEZNQCLSA-N 1 0 314.292 4.515 10 0 DJAERO CC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(Cl)cc1Cl ZINC000042815122 183312181 /nfs/dbraw/zinc/31/21/81/183312181.db2.gz MHYHOPMDXCXDFL-SWLSCSKDSA-N 1 0 302.245 4.603 10 0 DJAERO CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000042816099 183312354 /nfs/dbraw/zinc/31/23/54/183312354.db2.gz NEGBEWJCNBQKPR-IUODEOHRSA-N 1 0 302.245 4.603 10 0 DJAERO CC[C@@H]([NH3+])[C@@H](Oc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000043111714 183338193 /nfs/dbraw/zinc/33/81/93/183338193.db2.gz CWYNCIMDDWXZEU-TZMCWYRMSA-N 1 0 316.253 4.912 10 0 DJAERO C[C@H]([NH3+])[C@@H](Oc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000043111695 183338575 /nfs/dbraw/zinc/33/85/75/183338575.db2.gz WYNLKCKBZKPDBW-ISVAXAHUSA-N 1 0 302.226 4.522 10 0 DJAERO CC[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000050038712 183768543 /nfs/dbraw/zinc/76/85/43/183768543.db2.gz LDPHAQBTNKRCKU-CYBMUJFWSA-N 1 0 300.254 4.948 10 0 DJAERO C[NH2+][C@@H](c1ccc(Br)s1)C1=CCCCCC1 ZINC000050328346 183782356 /nfs/dbraw/zinc/78/23/56/183782356.db2.gz NKCTVFWDCYNDQA-CYBMUJFWSA-N 1 0 300.265 4.662 10 0 DJAERO [NH3+][C@@H](Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000050518297 183788530 /nfs/dbraw/zinc/78/85/30/183788530.db2.gz GZZFNTHUYYPRQA-JTQLQIEISA-N 1 0 305.752 4.663 10 0 DJAERO C[C@@H](CCC[NH2+]C(C)(C)C)Oc1ccc(Cl)c(Cl)c1 ZINC000052702624 183868536 /nfs/dbraw/zinc/86/85/36/183868536.db2.gz UMBNPMJEMXGFAZ-NSHDSACASA-N 1 0 304.261 4.929 10 0 DJAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2Br)o1 ZINC000052924403 183879901 /nfs/dbraw/zinc/87/99/01/183879901.db2.gz HGHYKYZHADCURI-VIFPVBQESA-N 1 0 312.182 4.519 10 0 DJAERO [NH3+][C@@H](Cc1cc(F)cc(F)c1)c1cccc(Cl)c1Cl ZINC000055225957 183972469 /nfs/dbraw/zinc/97/24/69/183972469.db2.gz OTKPZEBMZNTMAT-ZDUSSCGKSA-N 1 0 302.151 4.514 10 0 DJAERO Cc1ccc(Oc2ccc([C@@H](C)[NH3+])cc2Br)cc1 ZINC000061698869 184183854 /nfs/dbraw/zinc/18/38/54/184183854.db2.gz JCSSZYWZLFYAMZ-LLVKDONJSA-N 1 0 306.203 4.570 10 0 DJAERO C[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000062184747 184215669 /nfs/dbraw/zinc/21/56/69/184215669.db2.gz VGDFKIYXTMJZLI-RYUDHWBXSA-N 1 0 324.287 4.792 10 0 DJAERO CC[NH2+][C@H](C)Cc1ccc(-c2cc(Br)ccc2C)o1 ZINC000062770894 184253289 /nfs/dbraw/zinc/25/32/89/184253289.db2.gz OUXMGWBVYBFAEI-GFCCVEGCSA-N 1 0 322.246 4.558 10 0 DJAERO Cc1cc(Br)ccc1Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000063062093 184268832 /nfs/dbraw/zinc/26/88/32/184268832.db2.gz WEXUDXXHZFWXLR-LLVKDONJSA-N 1 0 306.203 4.570 10 0 DJAERO CC[C@@H]([NH2+]CCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000063099396 184270737 /nfs/dbraw/zinc/27/07/37/184270737.db2.gz GPRMXAGMTRCYLB-LLVKDONJSA-N 1 0 300.151 4.987 10 0 DJAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000238850831 257260314 /nfs/dbraw/zinc/26/03/14/257260314.db2.gz CWLMKZQZGZWEAK-USZNOCQGSA-N 1 0 317.317 4.818 10 0 DJAERO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000042790513 132153142 /nfs/dbraw/zinc/15/31/42/132153142.db2.gz MQWJXMBQEBMNPA-HNNXBMFYSA-N 1 0 324.468 4.793 10 0 DJAERO Cc1noc(C)c1CC[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000180499887 331570930 /nfs/dbraw/zinc/57/09/30/331570930.db2.gz MPUWQLHDAZZZTB-NRFANRHFSA-N 1 0 320.436 4.522 10 0 DJAERO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2C(C)(C)C)cc1 ZINC000261687424 331706133 /nfs/dbraw/zinc/70/61/33/331706133.db2.gz ISVIRGWLFXOEQL-ZDUSSCGKSA-N 1 0 311.429 4.648 10 0 DJAERO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000178138833 333002975 /nfs/dbraw/zinc/00/29/75/333002975.db2.gz BHZWVUGOEREOJD-NXEZZACHSA-N 1 0 313.203 4.939 10 0 DJAERO C[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc21)c1cccs1 ZINC000040226628 333341643 /nfs/dbraw/zinc/34/16/43/333341643.db2.gz BEJGSIHNPIZXDV-YGRLFVJLSA-N 1 0 322.271 4.849 10 0 DJAERO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(OC)c1)c1cccc(F)c1 ZINC000186842787 333379606 /nfs/dbraw/zinc/37/96/06/333379606.db2.gz YQGCPCNBUHQTRZ-GUYCJALGSA-N 1 0 317.404 4.645 10 0 DJAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(OC)c1)c1cccc(F)c1 ZINC000186842804 333379666 /nfs/dbraw/zinc/37/96/66/333379666.db2.gz YQGCPCNBUHQTRZ-SUMWQHHRSA-N 1 0 317.404 4.645 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Br)c2)cc1C ZINC000048817854 334301338 /nfs/dbraw/zinc/30/13/38/334301338.db2.gz NEMCKDKUCAFSCG-CQSZACIVSA-N 1 0 318.258 4.917 10 0 DJAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cncc(F)c2)cc1 ZINC000156997505 334643348 /nfs/dbraw/zinc/64/33/48/334643348.db2.gz PKVOOQNLZXGYNX-HUUCEWRRSA-N 1 0 300.421 4.831 10 0 DJAERO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2Br)cc1F ZINC000094837658 335755523 /nfs/dbraw/zinc/75/55/23/335755523.db2.gz IIZSNEFHAZYEBQ-LBPRGKRZSA-N 1 0 322.221 4.747 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)o1 ZINC000192735864 336261144 /nfs/dbraw/zinc/26/11/44/336261144.db2.gz AQWXIKSWKMJCJK-VXGBXAGGSA-N 1 0 313.319 4.898 10 0 DJAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2)c(C)c1 ZINC000037499046 336264442 /nfs/dbraw/zinc/26/44/42/336264442.db2.gz IDPNUEMLXWXCTM-AWEZNQCLSA-N 1 0 318.258 4.917 10 0 DJAERO CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(O)c2)cc1 ZINC000192845210 336267381 /nfs/dbraw/zinc/26/73/81/336267381.db2.gz IWAQBKIJJNAWSN-HOTGVXAUSA-N 1 0 313.441 4.839 10 0 DJAERO Fc1ccc2c(NC[C@H]3CCO[C@H]3c3ccccc3)cc[nH+]c2c1 ZINC000301444593 336307120 /nfs/dbraw/zinc/30/71/20/336307120.db2.gz VEMPQUGBUSEVOO-QRWLVFNGSA-N 1 0 322.383 4.564 10 0 DJAERO Cc1cccc2c(NC[C@@H]3CCO[C@H]3c3ccccc3)cc[nH+]c12 ZINC000301663689 336321698 /nfs/dbraw/zinc/32/16/98/336321698.db2.gz KOIISZJYRAAXDX-UWJYYQICSA-N 1 0 318.420 4.733 10 0 DJAERO Cc1ccccc1C[NH2+][C@H](C)c1ccccc1Br ZINC000034992183 336384877 /nfs/dbraw/zinc/38/48/77/336384877.db2.gz PFYINUQMRXRUJM-CYBMUJFWSA-N 1 0 304.231 4.608 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(Br)cs2)o1 ZINC000193947842 337080727 /nfs/dbraw/zinc/08/07/27/337080727.db2.gz WUVLXZHDBBBNHY-NXEZZACHSA-N 1 0 314.248 4.824 10 0 DJAERO COc1cccc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)c1 ZINC000177290032 337156702 /nfs/dbraw/zinc/15/67/02/337156702.db2.gz NGIPXHHAGBBNIO-HRAATJIYSA-N 1 0 318.420 4.530 10 0 DJAERO Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@H]1CCOc3ccccc31)CCCO2 ZINC000178277410 337161965 /nfs/dbraw/zinc/16/19/65/337161965.db2.gz ANCOLIAYTMBEIJ-OALUTQOASA-N 1 0 323.436 4.631 10 0 DJAERO C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1cccc(F)c1 ZINC000178612720 337165524 /nfs/dbraw/zinc/16/55/24/337165524.db2.gz AGHJKKNEPPCPAX-QRWLVFNGSA-N 1 0 306.384 4.661 10 0 DJAERO C[C@@H](CN1c2ccccc2CSc2ccccc21)C[NH+](C)C ZINC000584601785 337370971 /nfs/dbraw/zinc/37/09/71/337370971.db2.gz AYBZSDWMUSHFBR-OAHLLOKOSA-N 1 0 312.482 4.628 10 0 DJAERO COc1cccc([C@@]2(CC(C)C)CC[N@H+](CCC(C)C)C2)c1 ZINC000584650491 337380836 /nfs/dbraw/zinc/38/08/36/337380836.db2.gz NANZNIIPYSMTIA-HXUWFJFHSA-N 1 0 303.490 4.731 10 0 DJAERO CC1(C)C[C@H]([NH2+][C@H]2CCCOc3ccccc32)c2ccccc2O1 ZINC000133594178 337445834 /nfs/dbraw/zinc/44/58/34/337445834.db2.gz OCCIDJKJOSYZPX-ROUUACIJSA-N 1 0 323.436 4.792 10 0 DJAERO COc1ccsc1[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000186096783 340508191 /nfs/dbraw/zinc/50/81/91/340508191.db2.gz ZEORTPCYZGPZET-RKDXNWHRSA-N 1 0 301.864 4.883 10 0 DJAERO COc1ccsc1[C@@H](C)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000186236657 340509733 /nfs/dbraw/zinc/50/97/33/340509733.db2.gz WKHPPHWZFACGMV-IAQYHMDHSA-N 1 0 305.418 4.624 10 0 DJAERO CC(C)[C@H](C)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000037248451 340779810 /nfs/dbraw/zinc/77/98/10/340779810.db2.gz WTZXLWIPDJQDKB-LBPRGKRZSA-N 1 0 300.427 4.690 10 0 DJAERO Cc1ccc(F)cc1C[NH2+][C@@H](C)c1ccccc1Br ZINC000129098956 340944987 /nfs/dbraw/zinc/94/49/87/340944987.db2.gz PASGQNCEOZALEV-LBPRGKRZSA-N 1 0 322.221 4.747 10 0 DJAERO COc1ccccc1C[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131110587 341061518 /nfs/dbraw/zinc/06/15/18/341061518.db2.gz ZARNGOGLWUKCRE-GOSISDBHSA-N 1 0 323.436 4.621 10 0 DJAERO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cnn1C(C)C ZINC000248684906 341384247 /nfs/dbraw/zinc/38/42/47/341384247.db2.gz GFQIWOFGJMDEEV-YUTCNCBUSA-N 1 0 317.399 4.544 10 0 DJAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)cc1 ZINC000181912228 519734023 /nfs/dbraw/zinc/73/40/23/519734023.db2.gz YHVWLKKSPYNWLQ-STQMWFEESA-N 1 0 316.832 4.710 10 0 DJAERO Cc1ccccc1[C@H](C)[NH2+]Cc1nc2ccccc2n1C(F)F ZINC000181533552 525416651 /nfs/dbraw/zinc/41/66/51/525416651.db2.gz QDNDKOPTJZBSPX-ZDUSSCGKSA-N 1 0 315.367 4.591 10 0 DJAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccs1)CCS2 ZINC000191486831 525578339 /nfs/dbraw/zinc/57/83/39/525578339.db2.gz VBANGDRARJOLIP-RISCZKNCSA-N 1 0 305.468 4.644 10 0 DJAERO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]C(C)C ZINC000034815524 563246609 /nfs/dbraw/zinc/24/66/09/563246609.db2.gz XYMOGTMLFZTJII-UHFFFAOYSA-N 1 0 303.833 4.725 10 0 DJAERO CC1CCC(CC[NH2+]Cc2ccccc2Br)CC1 ZINC000070538596 563451399 /nfs/dbraw/zinc/45/13/99/563451399.db2.gz WIHIITHCZUTGIT-UHFFFAOYSA-N 1 0 310.279 4.755 10 0 DJAERO CCC[NH2+]Cc1ccc2ccccc2c1NC(=O)OC(C)(C)C ZINC000725244988 563526329 /nfs/dbraw/zinc/52/63/29/563526329.db2.gz CLAAFCUOHJFOAI-UHFFFAOYSA-N 1 0 314.429 4.686 10 0 DJAERO CCC1(C)CC[NH+](Cc2cccc(C)c2Br)CC1 ZINC000725262821 563569690 /nfs/dbraw/zinc/56/96/90/563569690.db2.gz VXQMFLJFEUEXOD-UHFFFAOYSA-N 1 0 310.279 4.770 10 0 DJAERO CC(C)[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000010315450 563648581 /nfs/dbraw/zinc/64/85/81/563648581.db2.gz LNCNJOJBMCVLMA-UHFFFAOYSA-N 1 0 312.844 4.841 10 0 DJAERO FC(F)(F)c1ccccc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000013721229 563662617 /nfs/dbraw/zinc/66/26/17/563662617.db2.gz YOTJCUUJJBWRIF-UHFFFAOYSA-N 1 0 313.750 4.691 10 0 DJAERO C[C@@H](C[NH2+]CCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000013723359 563663268 /nfs/dbraw/zinc/66/32/68/563663268.db2.gz NXVUDADOFHWDBY-ZDUSSCGKSA-N 1 0 308.252 4.929 10 0 DJAERO C[C@H](CCc1ccccc1)[NH2+]Cc1cccc(Br)c1 ZINC000013725555 563663285 /nfs/dbraw/zinc/66/32/85/563663285.db2.gz BLSZUFQEQONDMJ-CQSZACIVSA-N 1 0 318.258 4.560 10 0 DJAERO CC(C)[NH+](Cc1cccc(Cl)c1Br)C(C)C ZINC000669378415 563869376 /nfs/dbraw/zinc/86/93/76/563869376.db2.gz DOAPBABEWSBEMU-UHFFFAOYSA-N 1 0 304.659 4.721 10 0 DJAERO CC[NH2+]Cc1sc(Cc2ccc(Cl)cc2)nc1C(C)C ZINC000082429597 185181244 /nfs/dbraw/zinc/18/12/44/185181244.db2.gz KUJRXOQAQVQOOD-UHFFFAOYSA-N 1 0 308.878 4.620 10 0 DJAERO CC[NH2+]Cc1sc(Cc2cccc(Cl)c2)nc1C(C)C ZINC000082429762 185181576 /nfs/dbraw/zinc/18/15/76/185181576.db2.gz OUDBFLPSNRSHRD-UHFFFAOYSA-N 1 0 308.878 4.620 10 0 DJAERO CCC[NH2+]Cc1sc(-c2ccccc2C)nc1C(C)(C)C ZINC000082438660 185182594 /nfs/dbraw/zinc/18/25/94/185182594.db2.gz DCSFIVQMKFVKCF-UHFFFAOYSA-N 1 0 302.487 4.916 10 0 DJAERO CC[NH2+]Cc1sc(-c2ccccc2Cl)nc1C(C)(C)C ZINC000082439031 185182924 /nfs/dbraw/zinc/18/29/24/185182924.db2.gz BGUFLQIEIBVDII-UHFFFAOYSA-N 1 0 308.878 4.871 10 0 DJAERO C[NH+](C)CC/C=C1/c2oc3ccccc3c2COc2ccccc21 ZINC000002009622 180905279 /nfs/dbraw/zinc/90/52/79/180905279.db2.gz VZVRZTZPHOHSCK-LICLKQGHSA-N 1 0 319.404 4.709 10 0 in-man DJAERO c1ccc(Oc2ccccc2OCCC[NH+]2CCCCC2)cc1 ZINC000003613880 181041409 /nfs/dbraw/zinc/04/14/09/181041409.db2.gz UBNHZOSJSDKNKU-UHFFFAOYSA-N 1 0 311.425 4.734 10 0 DJAERO c1ccc(-c2cc(CC[C@@H]3CCC[NH2+]C3)c3ccccc3n2)cc1 ZINC000005162589 181212007 /nfs/dbraw/zinc/21/20/07/181212007.db2.gz BRSGIGKMAFNWJD-KRWDZBQOSA-N 1 0 316.448 4.834 10 0 DJAERO [NH3+][C@H](c1ccc(Br)cc1)c1ccc2ccccc2c1 ZINC000019470118 182124406 /nfs/dbraw/zinc/12/44/06/182124406.db2.gz UOZQBALSVDQAQU-QGZVFWFLSA-N 1 0 312.210 4.650 10 0 DJAERO CC(C)(C)c1ccc(O[C@@H](C[NH3+])c2ccc(Cl)cc2)cc1 ZINC000019671039 182135196 /nfs/dbraw/zinc/13/51/96/182135196.db2.gz JJTQTMBATIDPCW-KRWDZBQOSA-N 1 0 303.833 4.716 10 0 DJAERO CCCC[C@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019971884 182172622 /nfs/dbraw/zinc/17/26/22/182172622.db2.gz UWYDCHGROSNZJX-NSHDSACASA-N 1 0 310.157 4.658 10 0 DJAERO CN(C)[C@@H](C[NH2+]C1CCC(C(C)(C)C)CC1)c1cccs1 ZINC000020019752 182178903 /nfs/dbraw/zinc/17/89/03/182178903.db2.gz FNQNJBAFXZJMRL-GPANFISMSA-N 1 0 308.535 4.545 10 0 DJAERO C[C@@H]([NH2+]Cc1ccc(SC(F)(F)F)cc1)c1ccncc1 ZINC000020022851 182179963 /nfs/dbraw/zinc/17/99/63/182179963.db2.gz NSWUNBJRKGLANA-LLVKDONJSA-N 1 0 312.360 4.544 10 0 DJAERO CC[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccc(Br)cc1 ZINC000020131122 182190064 /nfs/dbraw/zinc/19/00/64/182190064.db2.gz WFXXQFBJQAXDQG-OAHLLOKOSA-N 1 0 308.263 4.678 10 0 DJAERO C[C@H](CCc1ccco1)[NH2+][C@H](C)c1ccccc1Br ZINC000020144797 182191706 /nfs/dbraw/zinc/19/17/06/182191706.db2.gz NJKFDSPEEBQBDF-CHWSQXEVSA-N 1 0 322.246 4.714 10 0 DJAERO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000020144685 182191720 /nfs/dbraw/zinc/19/17/20/182191720.db2.gz JIEQWYUOSPYLAZ-STQMWFEESA-N 1 0 322.246 4.714 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccccc1Br ZINC000020148297 182192349 /nfs/dbraw/zinc/19/23/49/182192349.db2.gz VUYNTVQDPWWEOI-MNOVXSKESA-N 1 0 310.260 4.922 10 0 DJAERO Cc1cccc2cc([C@@H]([NH3+])c3ccc(Br)cc3)oc21 ZINC000020389219 182213553 /nfs/dbraw/zinc/21/35/53/182213553.db2.gz GUYWJLXFILWQGP-HNNXBMFYSA-N 1 0 316.198 4.552 10 0 DJAERO COc1ccc([C@@H]([NH3+])c2cc(Cl)ccc2Cl)cc1Cl ZINC000020521968 182226433 /nfs/dbraw/zinc/22/64/33/182226433.db2.gz NKXZSHHPSAHUAT-CQSZACIVSA-N 1 0 316.615 4.704 10 0 DJAERO C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1c(Cl)cc(Cl)cc1Cl)C2 ZINC000020524078 182227082 /nfs/dbraw/zinc/22/70/82/182227082.db2.gz GVOVLTLGGOUXRT-FGWVZKOKSA-N 1 0 319.663 4.684 10 0 DJAERO CC(C)[C@H](C)[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000020522904 182227121 /nfs/dbraw/zinc/22/71/21/182227121.db2.gz SFGCAHSPYBXDLK-WDEREUQCSA-N 1 0 310.235 4.890 10 0 DJAERO CC(C)Oc1ccc([C@H](C)[NH2+]CCc2ccccc2)cc1F ZINC000020549969 182230040 /nfs/dbraw/zinc/23/00/40/182230040.db2.gz SPTITEOTMREVFC-HNNXBMFYSA-N 1 0 301.405 4.506 10 0 DJAERO CCCN(CCC)C[P@](=O)(CC)C[NH+](CCC)CCC ZINC000020595034 182235414 /nfs/dbraw/zinc/23/54/14/182235414.db2.gz WDLTVLXVFGOYCY-UHFFFAOYSA-N 1 0 304.459 4.528 10 0 DJAERO CCCCCC[NH2+]Cc1cc(Cl)c(OCCC)c(OC)c1 ZINC000020931489 182254972 /nfs/dbraw/zinc/25/49/72/182254972.db2.gz JSCWZFBSJNHBGJ-UHFFFAOYSA-N 1 0 313.869 4.807 10 0 DJAERO CCCOc1ccc2ccccc2c1C[NH2+]CCCOC(C)C ZINC000020930853 182255264 /nfs/dbraw/zinc/25/52/64/182255264.db2.gz WBKNHOQFXMSDSK-UHFFFAOYSA-N 1 0 315.457 4.533 10 0 DJAERO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCC(C)C ZINC000020930412 182255327 /nfs/dbraw/zinc/25/53/27/182255327.db2.gz XZWJDZNURUAAFJ-UHFFFAOYSA-N 1 0 304.261 4.918 10 0 DJAERO CCN([C@H](C[NH3+])c1c(Cl)cccc1Cl)C1CCCCC1 ZINC000021795043 182289511 /nfs/dbraw/zinc/28/95/11/182289511.db2.gz QAOPROLNLHELHJ-OAHLLOKOSA-N 1 0 315.288 4.648 10 0 DJAERO CC(C)Cc1ccc([C@@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000021815081 182293021 /nfs/dbraw/zinc/29/30/21/182293021.db2.gz QBBYWCKLTKNBAE-QGZVFWFLSA-N 1 0 318.258 4.696 10 0 DJAERO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)c1c(F)cccc1Cl ZINC000036961793 182855667 /nfs/dbraw/zinc/85/56/67/182855667.db2.gz HFXSWTQNKXPBSK-ZDUSSCGKSA-N 1 0 304.579 4.834 10 0 DJAERO Clc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CCCCC1)CCO2 ZINC000037509932 182903017 /nfs/dbraw/zinc/90/30/17/182903017.db2.gz JDQYGMGOCKNJLL-AWEZNQCLSA-N 1 0 300.229 4.739 10 0 DJAERO CC[NH+](CC)CCCn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000040389592 183060164 /nfs/dbraw/zinc/06/01/64/183060164.db2.gz INYXVKCUWGDVSC-UHFFFAOYSA-N 1 0 321.468 4.744 10 0 DJAERO CC[NH+](CC)CCCn1c2ccc(Cl)cc2nc1C(C)C ZINC000040403691 183061698 /nfs/dbraw/zinc/06/16/98/183061698.db2.gz HVPPAFHWVZRKIX-UHFFFAOYSA-N 1 0 307.869 4.545 10 0 DJAERO Clc1ccc(COc2ccccc2C[NH2+]C2CC2)cc1Cl ZINC000040732442 183126688 /nfs/dbraw/zinc/12/66/88/183126688.db2.gz JCTSGUNQHLQPBG-UHFFFAOYSA-N 1 0 322.235 4.824 10 0 DJAERO CCC[NH2+]Cc1cnc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000040997066 183154996 /nfs/dbraw/zinc/15/49/96/183154996.db2.gz RKXNMCWGLLWWAJ-UHFFFAOYSA-N 1 0 301.242 4.617 10 0 DJAERO CC(C)[NH2+]Cc1cnc(-c2c(Cl)cccc2Cl)s1 ZINC000040997151 183155260 /nfs/dbraw/zinc/15/52/60/183155260.db2.gz JZLORRZDHCYOLQ-UHFFFAOYSA-N 1 0 301.242 4.615 10 0 DJAERO Cc1ccc(C[C@H](C[NH3+])Cc2ccc(Cl)cc2Cl)cc1 ZINC000041541350 183201423 /nfs/dbraw/zinc/20/14/23/183201423.db2.gz ZHZOXCIQUYSZAL-AWEZNQCLSA-N 1 0 308.252 4.662 10 0 DJAERO C[C@@H]([NH2+]CCc1ccsc1)c1cc(Cl)ccc1Cl ZINC000042599118 183289496 /nfs/dbraw/zinc/28/94/96/183289496.db2.gz OSAULJCSOQSAPF-SNVBAGLBSA-N 1 0 300.254 4.948 10 0 DJAERO CCC[NH2+][C@H](c1sccc1C)c1cccc(Br)c1 ZINC000042730255 183302618 /nfs/dbraw/zinc/30/26/18/183302618.db2.gz MMTQJCJUKVUNKR-AWEZNQCLSA-N 1 0 324.287 4.908 10 0 DJAERO CC[C@@H]([NH3+])[C@@H](S[C@@H](C)CC)c1ccc(Br)cc1 ZINC000042959203 183323680 /nfs/dbraw/zinc/32/36/80/183323680.db2.gz ZCMMBFRBLSEACH-GDLCADMTSA-N 1 0 316.308 4.759 10 0 DJAERO [NH3+]C[C@H](Oc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1 ZINC000043018752 183329114 /nfs/dbraw/zinc/32/91/14/183329114.db2.gz RKFCDAVZHXMFMX-AWEZNQCLSA-N 1 0 316.615 4.726 10 0 DJAERO [NH3+]C[C@H](Oc1cccc(Cl)c1Cl)c1cccc(Cl)c1 ZINC000043018203 183329136 /nfs/dbraw/zinc/32/91/36/183329136.db2.gz YUCFGVUMOGBJKM-ZDUSSCGKSA-N 1 0 316.615 4.726 10 0 DJAERO C[C@H]([NH3+])[C@@H](Sc1ccccc1)c1cccc(Br)c1 ZINC000043024147 183331537 /nfs/dbraw/zinc/33/15/37/183331537.db2.gz QKLXEUVBRQINDH-XHDPSFHLSA-N 1 0 322.271 4.630 10 0 DJAERO C[C@H]([NH3+])[C@@H](Sc1nc2ccccc2s1)c1cccs1 ZINC000043112342 183338008 /nfs/dbraw/zinc/33/80/08/183338008.db2.gz LSERFOBBLUEPJU-TVQRCGJNSA-N 1 0 306.481 4.538 10 0 DJAERO CC[C@H]([NH3+])[C@@H](Oc1cccc(Cl)c1Cl)c1cccs1 ZINC000043110156 183338331 /nfs/dbraw/zinc/33/83/31/183338331.db2.gz DXMOWYQWVQSJQD-IINYFYTJSA-N 1 0 316.253 4.912 10 0 DJAERO CC[C@H]([NH3+])[C@H](Oc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000043111956 183338420 /nfs/dbraw/zinc/33/84/20/183338420.db2.gz MSZUJULLBGPSEY-JSGCOSHPSA-N 1 0 316.253 4.912 10 0 DJAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(Cl)c1Cl)c1cccs1 ZINC000043110146 183338520 /nfs/dbraw/zinc/33/85/20/183338520.db2.gz MGGQAVMSIQPVSL-AMIZOPFISA-N 1 0 302.226 4.522 10 0 DJAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(C)cs1)c1ccccc1Cl ZINC000043089453 183335155 /nfs/dbraw/zinc/33/51/55/183335155.db2.gz DJQIABBRIFCMDO-OLZOCXBDSA-N 1 0 312.891 4.676 10 0 DJAERO CCc1ccc([C@H](C[NH3+])c2cn(C(C)C)c3ccccc23)cc1 ZINC000049454885 183732151 /nfs/dbraw/zinc/73/21/51/183732151.db2.gz PARVFXNPKGECME-IBGZPJMESA-N 1 0 306.453 4.875 10 0 DJAERO Clc1ccc(-c2csc([C@H]3CCC[NH2+]C3)n2)cc1Cl ZINC000053252072 183895035 /nfs/dbraw/zinc/89/50/35/183895035.db2.gz FLFBKJSFJVNRPL-JTQLQIEISA-N 1 0 313.253 4.584 10 0 DJAERO CC(C)c1ccc([C@H]([NH3+])Cc2sccc2Br)cc1 ZINC000053816592 183913680 /nfs/dbraw/zinc/91/36/80/183913680.db2.gz XZLYFTOYQNJKPY-CQSZACIVSA-N 1 0 324.287 4.877 10 0 DJAERO Cc1ccsc1C[NH2+]CCOc1ccc(Cl)cc1Cl ZINC000053566954 183906696 /nfs/dbraw/zinc/90/66/96/183906696.db2.gz KOANYEYDHZXQPI-UHFFFAOYSA-N 1 0 316.253 4.532 10 0 DJAERO [NH3+][C@@H](Cc1ccc(Cl)s1)Cc1ccc(Cl)c(Cl)c1 ZINC000060703436 184154522 /nfs/dbraw/zinc/15/45/22/184154522.db2.gz XKCGIMDHNCLCFO-SECBINFHSA-N 1 0 320.672 4.821 10 0 DJAERO CCCOc1cccc([C@@H]([NH3+])c2cc(Cl)sc2Cl)c1 ZINC000061667585 184181645 /nfs/dbraw/zinc/18/16/45/184181645.db2.gz NJJPTBNYZLBROJ-CYBMUJFWSA-N 1 0 316.253 4.892 10 0 DJAERO [NH3+]C1(c2nc(-c3cc(F)c(Cl)cc3Cl)cs2)CCC1 ZINC000061713585 184184740 /nfs/dbraw/zinc/18/47/40/184184740.db2.gz JFNNLXROGKGSND-UHFFFAOYSA-N 1 0 317.216 4.594 10 0 DJAERO CCc1ccc2[nH+]ccc(Nc3ccc(OC)c(OC)c3)c2c1 ZINC000065005379 184308237 /nfs/dbraw/zinc/30/82/37/184308237.db2.gz RYMHLPMMYVASHU-UHFFFAOYSA-N 1 0 308.381 4.558 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1nc2ccccc2n1C ZINC000120331289 132142631 /nfs/dbraw/zinc/14/26/31/132142631.db2.gz FMCCORYOZDTZKP-QWHCGFSZSA-N 1 0 313.832 4.639 10 0 DJAERO CCCn1ccc(C[NH2+][C@H](C)c2cccc(Br)c2)c1 ZINC000091010259 332058738 /nfs/dbraw/zinc/05/87/38/332058738.db2.gz XKUDZOXGASQHPF-CYBMUJFWSA-N 1 0 321.262 4.511 10 0 DJAERO Cc1ccc([C@@H]([NH2+]Cc2cncc(C)c2)c2ccccc2)c(C)c1 ZINC000181029620 332173220 /nfs/dbraw/zinc/17/32/20/332173220.db2.gz IOKNREKWKAMQAB-QFIPXVFZSA-N 1 0 316.448 4.886 10 0 DJAERO CC[C@@H]([NH2+][C@H]1CCCc2cc(OC)ccc21)c1cccs1 ZINC000049529136 334345269 /nfs/dbraw/zinc/34/52/69/334345269.db2.gz ULXARDMMIACQRO-SJORKVTESA-N 1 0 301.455 4.875 10 0 DJAERO CCC(CC)C[N@H+](CC)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000101726492 334351032 /nfs/dbraw/zinc/35/10/32/334351032.db2.gz YKUYXIFADHTHHT-CQSZACIVSA-N 1 0 301.434 4.556 10 0 DJAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000192793091 336261977 /nfs/dbraw/zinc/26/19/77/336261977.db2.gz AFQRLZYSOHJVMN-LRDDRELGSA-N 1 0 321.342 4.880 10 0 DJAERO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)cc1 ZINC000192794834 336262129 /nfs/dbraw/zinc/26/21/29/336262129.db2.gz SKXHMLAIWPFXPU-KXBFYZLASA-N 1 0 311.425 4.650 10 0 DJAERO Clc1ccc([C@H]([NH2+][C@@H]2CCOc3ccccc32)C2CC2)cc1 ZINC000193003028 336286949 /nfs/dbraw/zinc/28/69/49/336286949.db2.gz JROKMSPZJGPCII-IEBWSBKVSA-N 1 0 313.828 4.905 10 0 DJAERO Cc1ccc(C[NH2+][C@H](C)c2ccccc2Br)c(C)c1 ZINC000034992207 336384998 /nfs/dbraw/zinc/38/49/98/336384998.db2.gz VUYKXOKXYPMFHG-CQSZACIVSA-N 1 0 318.258 4.917 10 0 DJAERO CCC[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(OC)cc1 ZINC000178272123 337161881 /nfs/dbraw/zinc/16/18/81/337161881.db2.gz VHVAAJLNTOQOKI-OALUTQOASA-N 1 0 311.425 4.650 10 0 DJAERO Cc1cc(C)c2c(c1)[C@@H]([NH2+][C@@H]1CCOc3ccccc31)CCCO2 ZINC000178277384 337161999 /nfs/dbraw/zinc/16/19/99/337161999.db2.gz ANCOLIAYTMBEIJ-RBUKOAKNSA-N 1 0 323.436 4.631 10 0 DJAERO CC[NH+](CC)CCN1c2ccccc2CSc2ccccc21 ZINC000584602584 337371010 /nfs/dbraw/zinc/37/10/10/337371010.db2.gz NROHEBHODDRULB-UHFFFAOYSA-N 1 0 312.482 4.772 10 0 DJAERO Cc1ccc([C@H](C)[NH2+]Cc2cscc2Br)c(C)c1 ZINC000302678995 340278738 /nfs/dbraw/zinc/27/87/38/340278738.db2.gz OYNJRVHZABZHRW-LBPRGKRZSA-N 1 0 324.287 4.978 10 0 DJAERO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)c1 ZINC000184267150 340491724 /nfs/dbraw/zinc/49/17/24/340491724.db2.gz QZBFBUSCQWMGNL-CHWSQXEVSA-N 1 0 324.346 4.700 10 0 DJAERO Cc1c([C@H](C)[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)cnn1C(C)C ZINC000191490525 340554632 /nfs/dbraw/zinc/55/46/32/340554632.db2.gz QBZSZEVCXKPPEZ-QEEYODRMSA-N 1 0 311.473 4.665 10 0 DJAERO COC(C)(C)C[C@H](C)[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000247200237 341362321 /nfs/dbraw/zinc/36/23/21/341362321.db2.gz UZRNOUIYJXUOSL-MELADBBJSA-N 1 0 320.502 4.582 10 0 DJAERO CC1(C)C[C@H]([NH2+]Cc2cccc3[nH]ccc32)c2ccccc2O1 ZINC000153072254 341523472 /nfs/dbraw/zinc/52/34/72/341523472.db2.gz AGXCEPYOTBCDNH-SFHVURJKSA-N 1 0 306.409 4.560 10 0 DJAERO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC000177788447 341938074 /nfs/dbraw/zinc/93/80/74/341938074.db2.gz OYUZHAAIQVARSU-ZDUSSCGKSA-N 1 0 313.470 4.585 10 0 DJAERO CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H](C)c2cccs2)c1C ZINC000181153482 518232067 /nfs/dbraw/zinc/23/20/67/518232067.db2.gz YAMGTOLUZTUKSI-AWEZNQCLSA-N 1 0 301.455 4.727 10 0 DJAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)cc1 ZINC000182224299 519733860 /nfs/dbraw/zinc/73/38/60/519733860.db2.gz IOYITQMUHSGLBW-WIEQDCTASA-N 1 0 322.452 4.538 10 0 DJAERO CCOc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000010436542 563356706 /nfs/dbraw/zinc/35/67/06/563356706.db2.gz FCLYFCVJKKLMFQ-UHFFFAOYSA-N 1 0 319.876 4.797 10 0 DJAERO CCOc1c(Cl)cc(C[NH2+]Cc2ccc(C)cc2)cc1Cl ZINC000010475389 563357300 /nfs/dbraw/zinc/35/73/00/563357300.db2.gz HLPRGNFGKLBZDW-UHFFFAOYSA-N 1 0 324.251 4.990 10 0 DJAERO CCOc1c(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)cc1OC ZINC000010473872 563357343 /nfs/dbraw/zinc/35/73/43/563357343.db2.gz QUIOCKBFNXAAAU-ZDUSSCGKSA-N 1 0 319.832 4.598 10 0 DJAERO CCOc1c(C[NH2+][C@H](C)c2ccccc2)cc(Cl)cc1OC ZINC000010473874 563357771 /nfs/dbraw/zinc/35/77/71/563357771.db2.gz QUIOCKBFNXAAAU-CYBMUJFWSA-N 1 0 319.832 4.598 10 0 DJAERO CCOc1ccc2ccccc2c1C[NH2+]Cc1ccccc1OC ZINC000013720574 563387521 /nfs/dbraw/zinc/38/75/21/563387521.db2.gz JOVAYVIXXSSQNI-UHFFFAOYSA-N 1 0 321.420 4.537 10 0 DJAERO CC(C)(C)CC(C)(C)[NH2+]Cc1cc(Br)cs1 ZINC000035257294 563452848 /nfs/dbraw/zinc/45/28/48/563452848.db2.gz LNYSFVCBUBPUBU-UHFFFAOYSA-N 1 0 304.297 4.815 10 0 DJAERO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2)c2ccccc12 ZINC000146336153 563494649 /nfs/dbraw/zinc/49/46/49/563494649.db2.gz MWRLZSYWYJZHJO-MRXNPFEDSA-N 1 0 305.421 4.569 10 0 DJAERO CCOc1ccc(-c2cncc(C[N@@H+]3CCCC[C@H]3C)c2)cc1 ZINC000037554221 563918739 /nfs/dbraw/zinc/91/87/39/563918739.db2.gz ABGVOULXCPSINF-MRXNPFEDSA-N 1 0 310.441 4.522 10 0 DJAERO C[NH2+]Cc1sc(CSc2ccc(C)cc2)nc1C(C)C ZINC000082430136 185181449 /nfs/dbraw/zinc/18/14/49/185181449.db2.gz KVUKSHSNKCNTIJ-UHFFFAOYSA-N 1 0 306.500 4.587 10 0 DJAERO CC(C)[NH2+]Cc1sc(-c2c(F)cccc2F)nc1C(C)C ZINC000082429850 185181635 /nfs/dbraw/zinc/18/16/35/185181635.db2.gz GKAGUTCTCVITAA-UHFFFAOYSA-N 1 0 310.413 4.710 10 0 DJAERO Clc1ccc(-c2nc(C3CC3)c(C[NH2+]C3CC3)s2)cc1 ZINC000082435535 185182118 /nfs/dbraw/zinc/18/21/18/185182118.db2.gz KTIPPMYGABIHKK-UHFFFAOYSA-N 1 0 304.846 4.593 10 0 DJAERO CCC[NH2+]Cc1sc(-c2ccc(Cl)cc2)nc1C1CC1 ZINC000082435533 185182177 /nfs/dbraw/zinc/18/21/77/185182177.db2.gz BEXYNLPADWAYHO-UHFFFAOYSA-N 1 0 306.862 4.841 10 0 DJAERO [NH3+]CCc1c(-c2ccccc2)[nH]c2c1c(Cl)ccc2Cl ZINC000004237555 181087083 /nfs/dbraw/zinc/08/70/83/181087083.db2.gz XZWPLMQULVIBSN-UHFFFAOYSA-N 1 0 305.208 4.643 10 0 DJAERO CC(C)C[C@@H](CSC(F)(F)F)[NH2+]Cc1cccc(F)c1 ZINC000095918317 193449532 /nfs/dbraw/zinc/44/95/32/193449532.db2.gz GKKVVFMLDLLTPB-ZDUSSCGKSA-N 1 0 309.372 4.583 10 0 DJAERO Cc1cc(O[C@@H](C[NH3+])c2ccc(Cl)cc2)cc(C)c1Cl ZINC000019671166 182135438 /nfs/dbraw/zinc/13/54/38/182135438.db2.gz QIWMYBADZLLAGC-HNNXBMFYSA-N 1 0 310.224 4.689 10 0 DJAERO CN(C)[C@H](C[NH2+]C1CCC(C(C)(C)C)CC1)c1cccs1 ZINC000020019755 182178985 /nfs/dbraw/zinc/17/89/85/182178985.db2.gz FNQNJBAFXZJMRL-UYSNPLJNSA-N 1 0 308.535 4.545 10 0 DJAERO C[C@@H]([NH2+]Cc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000020124154 182190320 /nfs/dbraw/zinc/19/03/20/182190320.db2.gz VYHUIUPRKFYQKX-LLVKDONJSA-N 1 0 324.649 4.953 10 0 DJAERO CC[C@H]([NH2+]Cc1cccc(C)c1)c1ccc(Br)cc1 ZINC000020134209 182190599 /nfs/dbraw/zinc/19/05/99/182190599.db2.gz DDGQUIIVXRAKQZ-KRWDZBQOSA-N 1 0 318.258 4.998 10 0 DJAERO C[C@H](CCc1ccco1)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000020144675 182191556 /nfs/dbraw/zinc/19/15/56/182191556.db2.gz GLYQOWHWVOPMFH-CHWSQXEVSA-N 1 0 322.246 4.714 10 0 DJAERO Clc1cc(Cl)c(OCC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000020221580 182198912 /nfs/dbraw/zinc/19/89/12/182198912.db2.gz SENQGDZPQSNGJJ-SNVBAGLBSA-N 1 0 308.636 4.558 10 0 DJAERO CCC[C@H](C)[C@@H]([NH3+])c1cc(Cl)cc(Br)c1OC ZINC000020252194 182200079 /nfs/dbraw/zinc/20/00/79/182200079.db2.gz IBWUEEPOVJDNAN-QPUJVOFHSA-N 1 0 320.658 4.547 10 0 DJAERO CCOc1c(Cl)cc(C[NH2+]CCc2ccccc2)cc1Cl ZINC000020476641 182221567 /nfs/dbraw/zinc/22/15/67/182221567.db2.gz UQGZWBSZUIBGLE-UHFFFAOYSA-N 1 0 324.251 4.724 10 0 DJAERO [NH3+][C@H](c1csc2ccccc21)c1ccc(Br)cc1 ZINC000020596369 182236115 /nfs/dbraw/zinc/23/61/15/182236115.db2.gz MZHWTPMOIZFCRP-HNNXBMFYSA-N 1 0 318.239 4.712 10 0 DJAERO [NH3+][C@@H](c1csc2ccccc21)c1ccc(Br)cc1 ZINC000020596370 182236566 /nfs/dbraw/zinc/23/65/66/182236566.db2.gz MZHWTPMOIZFCRP-OAHLLOKOSA-N 1 0 318.239 4.712 10 0 DJAERO Cc1ccc(COc2ccccc2C[NH2+]Cc2ccccc2)cc1 ZINC000020873568 182250975 /nfs/dbraw/zinc/25/09/75/182250975.db2.gz YKCVXOPVPZYNBF-UHFFFAOYSA-N 1 0 317.432 4.864 10 0 DJAERO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000020875921 182251624 /nfs/dbraw/zinc/25/16/24/182251624.db2.gz DSPHUHHXBKNILC-GFCCVEGCSA-N 1 0 322.246 4.906 10 0 DJAERO CCCOc1ccc2ccccc2c1C[NH2+]Cc1cccs1 ZINC000020930579 182255449 /nfs/dbraw/zinc/25/54/49/182255449.db2.gz NTFYIPODIKMKPR-UHFFFAOYSA-N 1 0 311.450 4.980 10 0 DJAERO C[C@@H](C[NH2+][C@H](C)c1ccccc1Br)c1ccccc1 ZINC000021013855 182260902 /nfs/dbraw/zinc/26/09/02/182260902.db2.gz JKZNXWDWXQUGCM-UONOGXRCSA-N 1 0 318.258 4.903 10 0 DJAERO CCN([C@@H](C[NH3+])c1cccc(Cl)c1Cl)C1CCCCC1 ZINC000021025024 182261318 /nfs/dbraw/zinc/26/13/18/182261318.db2.gz RRQBYPSPPCAPNM-HNNXBMFYSA-N 1 0 315.288 4.648 10 0 DJAERO CCCc1ccc([C@@H]([NH3+])c2ccc(Br)cc2F)cc1 ZINC000021501175 182275358 /nfs/dbraw/zinc/27/53/58/182275358.db2.gz LIEUSMLCKLHTSQ-MRXNPFEDSA-N 1 0 322.221 4.589 10 0 DJAERO CCN([C@@H](C[NH3+])c1c(Cl)cccc1Cl)C1CCCCC1 ZINC000021795040 182289574 /nfs/dbraw/zinc/28/95/74/182289574.db2.gz QAOPROLNLHELHJ-HNNXBMFYSA-N 1 0 315.288 4.648 10 0 DJAERO CCCC[NH+](CCCC)CCCn1c2ccccc2nc1CC ZINC000040389855 183060036 /nfs/dbraw/zinc/06/00/36/183060036.db2.gz XOJXLAJWFNOCHJ-UHFFFAOYSA-N 1 0 315.505 4.891 10 0 DJAERO Clc1cccc(Cl)c1COc1cccc(C[NH2+]C2CC2)c1 ZINC000040738459 183127462 /nfs/dbraw/zinc/12/74/62/183127462.db2.gz HWDMDAWIJUHKPY-UHFFFAOYSA-N 1 0 322.235 4.824 10 0 DJAERO CC(=O)Nc1ccc(Nc2cc[nH+]c3c(C)c(C)ccc23)cc1 ZINC000041055370 183160247 /nfs/dbraw/zinc/16/02/47/183160247.db2.gz CYSLHTBMRSXBHI-UHFFFAOYSA-N 1 0 305.381 4.554 10 0 DJAERO Clc1ccc(OCCC[NH2+]C2CCCCC2)cc1Cl ZINC000041515149 183196467 /nfs/dbraw/zinc/19/64/67/183196467.db2.gz YZIYKHIZRGRLHP-UHFFFAOYSA-N 1 0 302.245 4.685 10 0 DJAERO C[C@@H]([NH3+])c1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000041566997 183204009 /nfs/dbraw/zinc/20/40/09/183204009.db2.gz WSFSHMBQADGDRG-SECBINFHSA-N 1 0 314.187 4.731 10 0 DJAERO Cc1cc(C)c(C[C@H](C[NH3+])Cc2ccc(Cl)cc2)c(C)c1 ZINC000041514799 183195708 /nfs/dbraw/zinc/19/57/08/183195708.db2.gz COCUNKGDCNNJPF-QGZVFWFLSA-N 1 0 301.861 4.625 10 0 DJAERO CCC[NH2+][C@H](c1ccc(C)o1)c1ccc(Br)s1 ZINC000042268138 183248385 /nfs/dbraw/zinc/24/83/85/183248385.db2.gz FCIKRQMIUXJDLR-CYBMUJFWSA-N 1 0 314.248 4.501 10 0 DJAERO CC[C@H](C)[C@H](C)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000042553551 183284193 /nfs/dbraw/zinc/28/41/93/183284193.db2.gz ZWVVBGKJHISISO-AVHCAHFISA-N 1 0 310.279 4.719 10 0 DJAERO CC(C)C[N@H+](CC(=O)c1cc(Cl)sc1Cl)C(C)C ZINC000042587713 183288012 /nfs/dbraw/zinc/28/80/12/183288012.db2.gz SWGXAVLGHSAQJW-UHFFFAOYSA-N 1 0 308.274 4.604 10 0 DJAERO [NH3+]C[C@@H](Oc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000042948350 183320372 /nfs/dbraw/zinc/32/03/72/183320372.db2.gz SWRMXQUOSHVWLL-CQSZACIVSA-N 1 0 316.615 4.726 10 0 DJAERO C[C@H]([NH3+])[C@H](Sc1ccccc1)c1ccc(Br)cc1 ZINC000042958614 183323491 /nfs/dbraw/zinc/32/34/91/183323491.db2.gz CFNOXIZWLXKIOU-NHYWBVRUSA-N 1 0 322.271 4.630 10 0 DJAERO [NH3+]C[C@@H](Oc1ccc(Cl)cc1Cl)c1cccc(Cl)c1 ZINC000043017545 183329129 /nfs/dbraw/zinc/32/91/29/183329129.db2.gz IDDYBXLHTIGQKP-CQSZACIVSA-N 1 0 316.615 4.726 10 0 DJAERO Cc1cccc(S[C@@H](C[NH3+])c2cccc(Br)c2)c1 ZINC000043025195 183331112 /nfs/dbraw/zinc/33/11/12/183331112.db2.gz XGGKXBOHKVSMRU-HNNXBMFYSA-N 1 0 322.271 4.550 10 0 DJAERO Cc1ccc(S[C@H](C[NH3+])c2cccc(Br)c2)cc1 ZINC000043024265 183331343 /nfs/dbraw/zinc/33/13/43/183331343.db2.gz OLJDJIGUUFKCFC-OAHLLOKOSA-N 1 0 322.271 4.550 10 0 DJAERO C[C@@H]([NH3+])[C@H](Sc1ccccc1)c1cccc(Br)c1 ZINC000043024144 183331373 /nfs/dbraw/zinc/33/13/73/183331373.db2.gz QKLXEUVBRQINDH-ABAIWWIYSA-N 1 0 322.271 4.630 10 0 DJAERO [NH3+]C[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC000043053603 183332664 /nfs/dbraw/zinc/33/26/64/183332664.db2.gz CWJCYKVRXSKXRK-CQSZACIVSA-N 1 0 316.615 4.726 10 0 DJAERO CC[C@H]([NH3+])[C@H](SCC(C)C)c1ccccc1Br ZINC000043096175 183337520 /nfs/dbraw/zinc/33/75/20/183337520.db2.gz HTJUCHRDJPPOMM-UONOGXRCSA-N 1 0 316.308 4.617 10 0 DJAERO [NH3+]C[C@H](Sc1cc(Cl)ccc1Cl)c1cccs1 ZINC000043112646 183338091 /nfs/dbraw/zinc/33/80/91/183338091.db2.gz IGBDUTFMZISHBC-LBPRGKRZSA-N 1 0 304.267 4.847 10 0 DJAERO CC[C@H]([NH3+])[C@H](Sc1nc(C)cs1)c1ccccc1Cl ZINC000043089444 183334850 /nfs/dbraw/zinc/33/48/50/183334850.db2.gz DJQIABBRIFCMDO-QWHCGFSZSA-N 1 0 312.891 4.676 10 0 DJAERO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(Br)s1 ZINC000045629262 183520308 /nfs/dbraw/zinc/52/03/08/183520308.db2.gz DMXSTKGYWDMHRP-QWRGUYRKSA-N 1 0 300.265 4.518 10 0 DJAERO C[C@H]([NH3+])c1ccc(SC2CCCCC2)c(Br)c1 ZINC000061700263 184183902 /nfs/dbraw/zinc/18/39/02/184183902.db2.gz KCOOYHIUURNOIE-JTQLQIEISA-N 1 0 314.292 4.894 10 0 DJAERO Cc1cc(Br)ccc1Oc1ccccc1[C@H](C)[NH3+] ZINC000063062090 184268876 /nfs/dbraw/zinc/26/88/76/184268876.db2.gz KPAVTWOLIIJEOL-NSHDSACASA-N 1 0 306.203 4.570 10 0 DJAERO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)cn1 ZINC000274858915 130269112 /nfs/dbraw/zinc/26/91/12/130269112.db2.gz CPANBJPFMNSPMF-NHCYSSNCSA-N 1 0 306.759 4.507 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)c1cncc(F)c1 ZINC000178138821 333002810 /nfs/dbraw/zinc/00/28/10/333002810.db2.gz BHZWVUGOEREOJD-VHSXEESVSA-N 1 0 313.203 4.939 10 0 DJAERO Cc1nc(CN[C@H](C)c2ccc(-c3ccccc3)cc2)oc1C ZINC000181426861 333030413 /nfs/dbraw/zinc/03/04/13/333030413.db2.gz BGUYXELYTVSQOH-OAHLLOKOSA-N 1 0 306.409 4.809 10 0 DJAERO C[C@H](COCc1ccccc1)[NH2+]Cc1csc2ccccc12 ZINC000390539842 333293193 /nfs/dbraw/zinc/29/31/93/333293193.db2.gz QOOKBAFSEMORPY-OAHLLOKOSA-N 1 0 311.450 4.596 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(Br)ccc32)o1 ZINC000040227000 333341556 /nfs/dbraw/zinc/34/15/56/333341556.db2.gz ZQGYNBMAULFTIR-IAQYHMDHSA-N 1 0 320.230 4.689 10 0 DJAERO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(OC)c1)c1cccc(F)c1 ZINC000186842844 333379929 /nfs/dbraw/zinc/37/99/29/333379929.db2.gz YQGCPCNBUHQTRZ-CXAGYDPISA-N 1 0 317.404 4.645 10 0 DJAERO Cc1ccc2cc(C[NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)ccc2n1 ZINC000187640019 334266534 /nfs/dbraw/zinc/26/65/34/334266534.db2.gz RGXVCUXFLSDQOJ-JKSUJKDBSA-N 1 0 322.374 4.754 10 0 DJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)o1 ZINC000192735881 336261024 /nfs/dbraw/zinc/26/10/24/336261024.db2.gz AQWXIKSWKMJCJK-NEPJUHHUSA-N 1 0 313.319 4.898 10 0 DJAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1C(F)(F)F ZINC000192794549 336262117 /nfs/dbraw/zinc/26/21/17/336262117.db2.gz VMSDZRNHNVCZNR-WBMJQRKESA-N 1 0 321.342 4.880 10 0 DJAERO Cc1cccc2c(N3C[C@@H](C)O[C@H](c4ccsc4)C3)cc[nH+]c12 ZINC000301721589 336325519 /nfs/dbraw/zinc/32/55/19/336325519.db2.gz QRCKSZHBYXPOFA-KDOFPFPSSA-N 1 0 324.449 4.571 10 0 DJAERO Cc1cccc2c(N3C[C@@H](c4ccsc4)O[C@@H](C)C3)cc[nH+]c12 ZINC000301721590 336325586 /nfs/dbraw/zinc/32/55/86/336325586.db2.gz QRCKSZHBYXPOFA-KSSFIOAISA-N 1 0 324.449 4.571 10 0 DJAERO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2Br)c(C)c1 ZINC000034992206 336384921 /nfs/dbraw/zinc/38/49/21/336384921.db2.gz VUYKXOKXYPMFHG-AWEZNQCLSA-N 1 0 318.258 4.917 10 0 DJAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(Br)cs2)o1 ZINC000193947824 337080785 /nfs/dbraw/zinc/08/07/85/337080785.db2.gz WUVLXZHDBBBNHY-UWVGGRQHSA-N 1 0 314.248 4.824 10 0 DJAERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2C)cc1OC ZINC000193900370 337079955 /nfs/dbraw/zinc/07/99/55/337079955.db2.gz IEKPWANAGOYVJL-HZPDHXFCSA-N 1 0 313.441 4.732 10 0 DJAERO C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1cc(F)cc(F)c1 ZINC000178610722 337165395 /nfs/dbraw/zinc/16/53/95/337165395.db2.gz KNRCUQMPSBOIOX-VBKZILBWSA-N 1 0 324.374 4.800 10 0 DJAERO Cc1cccc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)c1 ZINC000178614436 337165562 /nfs/dbraw/zinc/16/55/62/337165562.db2.gz KGKYYNGCTMJCQO-LAUBAEHRSA-N 1 0 302.421 4.830 10 0 DJAERO CSCC1CCC([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000395350167 337213772 /nfs/dbraw/zinc/21/37/72/337213772.db2.gz GQFTWAARFFPUSH-CLRIEMFWSA-N 1 0 309.441 4.619 10 0 DJAERO CC[NH+](CC)CCC[C@@H](C)Nc1cc(OC)cc2ccccc21 ZINC000584615885 337372888 /nfs/dbraw/zinc/37/28/88/337372888.db2.gz RVUREKOFSMCINI-MRXNPFEDSA-N 1 0 314.473 4.771 10 0 DJAERO [NH3+][C@H](c1cc(Cl)ccc1N1CCCCC1)C1CCCCC1 ZINC000584595302 337374008 /nfs/dbraw/zinc/37/40/08/337374008.db2.gz BIQLVIFUKCBIKA-SFHVURJKSA-N 1 0 306.881 4.910 10 0 DJAERO CCCC[C@](C=C=C(C)C)(CC)C[NH2+][C@@H]1CCCN(CC)C1 ZINC000584631756 337377105 /nfs/dbraw/zinc/37/71/05/337377105.db2.gz TUFCVMXDTROWFI-UXHICEINSA-N 1 0 306.538 4.768 10 0 DJAERO C[C@H]([NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000246967081 337556506 /nfs/dbraw/zinc/55/65/06/337556506.db2.gz JDDOBMUAWOCADQ-RVSPLBMKSA-N 1 0 321.873 4.506 10 0 DJAERO CC[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1cc(C)ccc1OC ZINC000093369659 337915850 /nfs/dbraw/zinc/91/58/50/337915850.db2.gz HYYKTFPFXLRKOQ-QZTJIDSGSA-N 1 0 311.425 4.568 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)c1cncc(F)c1 ZINC000164663565 339024544 /nfs/dbraw/zinc/02/45/44/339024544.db2.gz ZKFQMJXWXSGELK-UONOGXRCSA-N 1 0 300.421 4.930 10 0 DJAERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(Cl)sc1Cl ZINC000467454212 339239511 /nfs/dbraw/zinc/23/95/11/339239511.db2.gz IDMJWVAODWSRDZ-VLEAKVRGSA-N 1 0 322.301 4.909 10 0 DJAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(Cl)sc1Cl ZINC000467454209 339239634 /nfs/dbraw/zinc/23/96/34/339239634.db2.gz IDMJWVAODWSRDZ-LMLFDSFASA-N 1 0 322.301 4.909 10 0 DJAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC(C)(C)Oc3ccccc31)CC2 ZINC000124180282 340797563 /nfs/dbraw/zinc/79/75/63/340797563.db2.gz DOWACRSKHREWFQ-MOPGFXCFSA-N 1 0 323.436 4.575 10 0 DJAERO COc1cccc([C@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000128961316 340931959 /nfs/dbraw/zinc/93/19/59/340931959.db2.gz LQXUHTANSYZUKA-KBXCAEBGSA-N 1 0 311.425 4.648 10 0 DJAERO CC[C@H](CSC)[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000246084183 341324485 /nfs/dbraw/zinc/32/44/85/341324485.db2.gz VRKHGFAYOYCWNQ-RWMBFGLXSA-N 1 0 308.516 4.520 10 0 DJAERO C[C@H](Cc1ccsc1)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000163101359 341494916 /nfs/dbraw/zinc/49/49/16/341494916.db2.gz DABHTCYURDFWDK-CJNGLKHVSA-N 1 0 301.455 4.571 10 0 DJAERO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000186124281 518170809 /nfs/dbraw/zinc/17/08/09/518170809.db2.gz IUUSAVUSDBYHIC-VHSXEESVSA-N 1 0 313.825 4.961 10 0 DJAERO CC[C@@H]([NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccncc1 ZINC000163794166 522921590 /nfs/dbraw/zinc/92/15/90/522921590.db2.gz HJKYEHWSIQDYSL-RTBURBONSA-N 1 0 322.452 4.959 10 0 DJAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)c2ccsc2S1 ZINC000130216887 524813114 /nfs/dbraw/zinc/81/31/14/524813114.db2.gz BEXRENVWKVHZSD-NILFDRSVSA-N 1 0 317.479 4.787 10 0 DJAERO CC(C)OCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000013721963 563387509 /nfs/dbraw/zinc/38/75/09/563387509.db2.gz NZJZGYBLJKOJGO-UHFFFAOYSA-N 1 0 307.821 4.505 10 0 DJAERO CCOc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1Cl ZINC000013726698 563387956 /nfs/dbraw/zinc/38/79/56/563387956.db2.gz WURDBHKGVDPZIU-HNNXBMFYSA-N 1 0 317.860 4.850 10 0 DJAERO CCC(C)(C)[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000013724665 563388126 /nfs/dbraw/zinc/38/81/26/563388126.db2.gz JREVLJURCSHFDC-UHFFFAOYSA-N 1 0 301.405 4.683 10 0 DJAERO c1cc2n(c1)-c1sc3c(c1C[NH2+][C@@H]2c1ccccc1)CCCC3 ZINC000032917090 563443423 /nfs/dbraw/zinc/44/34/23/563443423.db2.gz FTDQLPDUXOUOJR-LJQANCHMSA-N 1 0 320.461 4.610 10 0 DJAERO CCc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000013722982 563663117 /nfs/dbraw/zinc/66/31/17/563663117.db2.gz OSPGUWWYLYHUMN-UHFFFAOYSA-N 1 0 308.252 4.888 10 0 DJAERO CCC[NH2+][C@@H](C)c1csc(-c2cccc(OCCC)c2)n1 ZINC000076784392 185040420 /nfs/dbraw/zinc/04/04/20/185040420.db2.gz HJKQZJVFPCUTQP-ZDUSSCGKSA-N 1 0 304.459 4.660 10 0 DJAERO CCC[NH2+]Cc1sc(-c2c(F)cccc2F)nc1CCC ZINC000082427363 185181044 /nfs/dbraw/zinc/18/10/44/185181044.db2.gz HQNTYNLTVJRMHI-UHFFFAOYSA-N 1 0 310.413 4.540 10 0 DJAERO CC(C)c1nc(-c2ccccc2Cl)sc1C[NH2+]C1CC1 ZINC000082429673 185181232 /nfs/dbraw/zinc/18/12/32/185181232.db2.gz WBMPYGOIKSTEOB-UHFFFAOYSA-N 1 0 306.862 4.839 10 0 DJAERO CCc1ccc(-c2nc(C(C)C)c(C[NH2+]C3CC3)s2)cc1 ZINC000082431291 185182053 /nfs/dbraw/zinc/18/20/53/185182053.db2.gz LDSNGBADLRMGER-UHFFFAOYSA-N 1 0 300.471 4.748 10 0 DJAERO CCc1ccc(-c2nc(C3CC3)c(C[NH2+]C(C)C)s2)cc1 ZINC000082436791 185182506 /nfs/dbraw/zinc/18/25/06/185182506.db2.gz NIKGBSGPVINEDF-UHFFFAOYSA-N 1 0 300.471 4.748 10 0 DJAERO CC1(C)C[C@H]([NH2+]Cc2ccc(Cl)cc2)c2ccccc2O1 ZINC000082504902 185187744 /nfs/dbraw/zinc/18/77/44/185187744.db2.gz VLJMXYPRAUSTNZ-INIZCTEOSA-N 1 0 301.817 4.732 10 0 DJAERO CCN(c1ccccc1)[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000019231901 190644559 /nfs/dbraw/zinc/64/45/59/190644559.db2.gz OEKTXOPYJUFLAH-OAHLLOKOSA-N 1 0 309.240 4.520 10 0 DJAERO C[C@@H]([NH3+])[C@H](Sc1ccc(Br)cc1)c1ccccc1 ZINC000042904850 190672554 /nfs/dbraw/zinc/67/25/54/190672554.db2.gz QYRUNLJONDXFHF-ABAIWWIYSA-N 1 0 322.271 4.630 10 0 DJAERO c1ccc(Nc2nc(Nc3cc[nH+]cc3)nc3ccccc32)cc1 ZINC000072260373 191088836 /nfs/dbraw/zinc/08/88/36/191088836.db2.gz WANMJWQKSZTPQC-UHFFFAOYSA-N 1 0 313.364 4.512 10 0 DJAERO CCOc1ccc(Cl)cc1[C@@H](C[NH+]1CCCC1)[C@@H](C)CC ZINC000003627992 181042725 /nfs/dbraw/zinc/04/27/25/181042725.db2.gz KFCXWGVCTPCYRF-YOEHRIQHSA-N 1 0 309.881 4.964 10 0 DJAERO c1ccc(-c2cc(-c3ccccc3)sc(=[N+]3CCCC3)c2)cc1 ZINC000005490726 181249198 /nfs/dbraw/zinc/24/91/98/181249198.db2.gz KRXJMFYHKWRFMX-UHFFFAOYSA-N 1 0 318.465 4.648 10 0 DJAERO Cc1cc(C)c(C)c([C@@H]([NH3+])c2ccc(Br)cc2)c1C ZINC000019232260 182110152 /nfs/dbraw/zinc/11/01/52/182110152.db2.gz QIPMLALLLYSKPF-KRWDZBQOSA-N 1 0 318.258 4.731 10 0 DJAERO CC[C@H]([NH2+]CCc1cccs1)c1ccc(Br)cc1 ZINC000019949156 182169618 /nfs/dbraw/zinc/16/96/18/182169618.db2.gz VHKANSULEILQAI-HNNXBMFYSA-N 1 0 324.287 4.794 10 0 DJAERO C[C@H]([NH3+])c1c(F)cccc1Oc1ccc(Cl)cc1Cl ZINC000020009395 182176667 /nfs/dbraw/zinc/17/66/67/182176667.db2.gz WYSVLRGYOFHRAG-QMMMGPOBSA-N 1 0 300.160 4.945 10 0 DJAERO CC[C@H]([NH2+][C@H](C)c1ccncc1)c1ccc(Br)cc1 ZINC000020121404 182188847 /nfs/dbraw/zinc/18/88/47/182188847.db2.gz ABICGZUGDNRSFN-WBMJQRKESA-N 1 0 319.246 4.646 10 0 DJAERO C[C@H]([NH2+]Cc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000020124155 182189738 /nfs/dbraw/zinc/18/97/38/182189738.db2.gz VYHUIUPRKFYQKX-NSHDSACASA-N 1 0 324.649 4.953 10 0 DJAERO C[C@H]([NH2+]Cc1ccccc1Br)c1cccc(Cl)c1 ZINC000020124307 182189904 /nfs/dbraw/zinc/18/99/04/182189904.db2.gz WTHHOCRLQZFSEZ-NSHDSACASA-N 1 0 324.649 4.953 10 0 DJAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1cccc(Br)c1 ZINC000020129719 182189934 /nfs/dbraw/zinc/18/99/34/182189934.db2.gz GYVLTUFUBDWOIL-SJCJKPOMSA-N 1 0 316.242 4.787 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1ccc(Br)cc1 ZINC000020144673 182191585 /nfs/dbraw/zinc/19/15/85/182191585.db2.gz GLYQOWHWVOPMFH-QWHCGFSZSA-N 1 0 322.246 4.714 10 0 DJAERO C[C@H](CCc1ccco1)[NH2+][C@@H](C)c1ccccc1Br ZINC000020144793 182191753 /nfs/dbraw/zinc/19/17/53/182191753.db2.gz NJKFDSPEEBQBDF-OLZOCXBDSA-N 1 0 322.246 4.714 10 0 DJAERO Cc1ccc(Oc2cccc(F)c2[C@@H](C)[NH3+])c(Br)c1 ZINC000020077954 182185269 /nfs/dbraw/zinc/18/52/69/182185269.db2.gz UTRCWXQOZWNODY-SNVBAGLBSA-N 1 0 324.193 4.709 10 0 DJAERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1Br ZINC000020209709 182197855 /nfs/dbraw/zinc/19/78/55/182197855.db2.gz YDPQMONNAQQLFQ-LLVKDONJSA-N 1 0 324.649 4.953 10 0 DJAERO CCC[C@H](C)[C@H]([NH3+])c1cc(Cl)cc(Br)c1OC ZINC000020252198 182200202 /nfs/dbraw/zinc/20/02/02/182200202.db2.gz IBWUEEPOVJDNAN-UFBFGSQYSA-N 1 0 320.658 4.547 10 0 DJAERO Cc1c2cc(Br)ccc2oc1[C@@H]([NH3+])c1ccccc1 ZINC000020593036 182235956 /nfs/dbraw/zinc/23/59/56/182235956.db2.gz NMEMYXYZMARPDR-HNNXBMFYSA-N 1 0 316.198 4.552 10 0 DJAERO CCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1Cl ZINC000020925432 182254283 /nfs/dbraw/zinc/25/42/83/182254283.db2.gz YGUPEBLZGBAMMP-AWEZNQCLSA-N 1 0 303.833 4.980 10 0 DJAERO CCCOc1ccc(Cl)cc1C[NH2+][C@H](C)c1ccccc1 ZINC000020928744 182254657 /nfs/dbraw/zinc/25/46/57/182254657.db2.gz WMLGDXWLNXWRPX-CQSZACIVSA-N 1 0 303.833 4.980 10 0 DJAERO CCN([C@H](C[NH3+])c1cccc(Cl)c1Cl)C1CCCCC1 ZINC000021025031 182261542 /nfs/dbraw/zinc/26/15/42/182261542.db2.gz RRQBYPSPPCAPNM-OAHLLOKOSA-N 1 0 315.288 4.648 10 0 DJAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000035661966 182785004 /nfs/dbraw/zinc/78/50/04/182785004.db2.gz YLUURAJDFDKVJP-UHFFFAOYSA-N 1 0 310.224 4.600 10 0 DJAERO C[C@H]([NH3+])c1ccc(Sc2ccccc2Br)cc1 ZINC000037381309 182885325 /nfs/dbraw/zinc/88/53/25/182885325.db2.gz ICTFMFXXAIKWGY-JTQLQIEISA-N 1 0 308.244 4.620 10 0 DJAERO C[C@@]([NH3+])(Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000037531422 182905024 /nfs/dbraw/zinc/90/50/24/182905024.db2.gz XAMUQJGTFXNHPH-OAHLLOKOSA-N 1 0 324.649 4.519 10 0 DJAERO CC(C)[NH+]1CCC(NCc2sc3ccccc3c2Cl)CC1 ZINC000037977229 182948666 /nfs/dbraw/zinc/94/86/66/182948666.db2.gz NAMCGPCIVYGKPE-UHFFFAOYSA-N 1 0 322.905 4.517 10 0 DJAERO CC[NH+](CC)CCCn1c2ccc(Cl)cc2nc1C(C)(C)C ZINC000040403736 183061473 /nfs/dbraw/zinc/06/14/73/183061473.db2.gz FGPWEGLTTVTJDJ-UHFFFAOYSA-N 1 0 321.896 4.719 10 0 DJAERO CC(C)[NH2+]Cc1cnc(-c2ccc(Cl)cc2Cl)s1 ZINC000040997125 183155297 /nfs/dbraw/zinc/15/52/97/183155297.db2.gz FYKSYILUJZLAAQ-UHFFFAOYSA-N 1 0 301.242 4.615 10 0 DJAERO CCOC(=O)c1cccc(Nc2cc[nH+]c3c(C)cc(C)cc23)c1 ZINC000041055013 183158810 /nfs/dbraw/zinc/15/88/10/183158810.db2.gz OUBFRMHMVZKJNN-UHFFFAOYSA-N 1 0 320.392 4.772 10 0 DJAERO Clc1ccc(Cl)c(OCC[NH2+]CC2CCCCC2)c1 ZINC000041515111 183196015 /nfs/dbraw/zinc/19/60/15/183196015.db2.gz HMOKPGGVABUUAL-UHFFFAOYSA-N 1 0 302.245 4.542 10 0 DJAERO Cc1ccc(C[C@@H](C[NH3+])Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000041541366 183201420 /nfs/dbraw/zinc/20/14/20/183201420.db2.gz XIZPYTYZHCHKDG-OAHLLOKOSA-N 1 0 308.252 4.662 10 0 DJAERO Cc1ccccc1C[C@@H](C[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000041541357 183201437 /nfs/dbraw/zinc/20/14/37/183201437.db2.gz PJDWAPSJSORYNM-AWEZNQCLSA-N 1 0 308.252 4.662 10 0 DJAERO CCC[NH2+][C@@H](c1ccc(C)o1)c1ccc(Br)s1 ZINC000042268135 183248054 /nfs/dbraw/zinc/24/80/54/183248054.db2.gz FCIKRQMIUXJDLR-ZDUSSCGKSA-N 1 0 314.248 4.501 10 0 DJAERO CC[C@@H](C)[C@@H](C)[NH2+]C1CC(c2ccccc2Br)C1 ZINC000042553590 183284025 /nfs/dbraw/zinc/28/40/25/183284025.db2.gz WNIPJIBOWXNIMW-IWMBGFJWSA-N 1 0 310.279 4.719 10 0 DJAERO CC[C@H](C)[C@H](C)[NH2+]C1CC(c2ccccc2Br)C1 ZINC000042553599 183284162 /nfs/dbraw/zinc/28/41/62/183284162.db2.gz WNIPJIBOWXNIMW-FEPKRQSRSA-N 1 0 310.279 4.719 10 0 DJAERO CC(C)C[C@@H]1CSC(N[C@H](C)c2ccc(Cl)s2)=[NH+]1 ZINC000042591997 183289038 /nfs/dbraw/zinc/28/90/38/183289038.db2.gz FCINJCCHRKTHFH-NXEZZACHSA-N 1 0 302.896 4.570 10 0 DJAERO C[C@H]([NH2+]CCc1ccsc1)c1ccc(Cl)cc1Cl ZINC000042599122 183289325 /nfs/dbraw/zinc/28/93/25/183289325.db2.gz UJKPPLHCUZZUOY-JTQLQIEISA-N 1 0 300.254 4.948 10 0 DJAERO CC[C@H]([NH2+]CCc1ccsc1)c1ccc(Br)cc1 ZINC000042599292 183289358 /nfs/dbraw/zinc/28/93/58/183289358.db2.gz CWTODHNPSGFBNN-HNNXBMFYSA-N 1 0 324.287 4.794 10 0 DJAERO [NH3+]C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 ZINC000042899740 183317655 /nfs/dbraw/zinc/31/76/55/183317655.db2.gz JOCDSIJONCVPGK-CQSZACIVSA-N 1 0 316.615 4.726 10 0 DJAERO [NH3+]C[C@H](Oc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000042947986 183320699 /nfs/dbraw/zinc/32/06/99/183320699.db2.gz GLTCAYZALKPTMO-AWEZNQCLSA-N 1 0 316.615 4.726 10 0 DJAERO [NH3+]C[C@@H](Oc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000042949071 183320740 /nfs/dbraw/zinc/32/07/40/183320740.db2.gz RRXLZZDTJQTDDD-CYBMUJFWSA-N 1 0 316.615 4.726 10 0 DJAERO CC[C@@H]([NH3+])[C@H](Sc1nc(C)cs1)c1ccc(Cl)cc1 ZINC000042950528 183321081 /nfs/dbraw/zinc/32/10/81/183321081.db2.gz PIQBNODDBHVYIT-CHWSQXEVSA-N 1 0 312.891 4.676 10 0 DJAERO CC[C@@H]([NH3+])[C@H](SCC(C)C)c1ccc(Br)cc1 ZINC000042959380 183323465 /nfs/dbraw/zinc/32/34/65/183323465.db2.gz FRJPRWGJHINGFO-ZIAGYGMSSA-N 1 0 316.308 4.617 10 0 DJAERO C[C@H]([NH3+])[C@@H](Sc1ccccc1)c1ccc(Br)cc1 ZINC000042958620 183323674 /nfs/dbraw/zinc/32/36/74/183323674.db2.gz CFNOXIZWLXKIOU-XHDPSFHLSA-N 1 0 322.271 4.630 10 0 DJAERO [NH3+]C[C@@H](Sc1cc(Cl)ccc1Cl)c1cccc(F)c1 ZINC000042974387 183324959 /nfs/dbraw/zinc/32/49/59/183324959.db2.gz KKLFPDHSMRBSII-CQSZACIVSA-N 1 0 316.228 4.925 10 0 DJAERO [NH3+]C[C@@H](Oc1cccc(Cl)c1Cl)c1cccc(Cl)c1 ZINC000043018197 183328484 /nfs/dbraw/zinc/32/84/84/183328484.db2.gz YUCFGVUMOGBJKM-CYBMUJFWSA-N 1 0 316.615 4.726 10 0 DJAERO CC[C@@H]([NH3+])[C@H](S[C@@H](C)CC)c1cccc(Br)c1 ZINC000043024684 183331095 /nfs/dbraw/zinc/33/10/95/183331095.db2.gz AYOPSJOMUKJWAJ-ZLKJLUDKSA-N 1 0 316.308 4.759 10 0 DJAERO CC[C@@H]([NH3+])[C@@H](SCC(C)C)c1cccc(Br)c1 ZINC000043024840 183331454 /nfs/dbraw/zinc/33/14/54/183331454.db2.gz ROVIFOXENHONDV-KGLIPLIRSA-N 1 0 316.308 4.617 10 0 DJAERO CC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000042816089 183312171 /nfs/dbraw/zinc/31/21/71/183312171.db2.gz NEGBEWJCNBQKPR-SWLSCSKDSA-N 1 0 302.245 4.603 10 0 DJAERO Cc1cccc(S[C@@H](C[NH3+])c2ccccc2Br)c1 ZINC000043096436 183337410 /nfs/dbraw/zinc/33/74/10/183337410.db2.gz KACFYCFQTWWJEN-HNNXBMFYSA-N 1 0 322.271 4.550 10 0 DJAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000043111963 183337971 /nfs/dbraw/zinc/33/79/71/183337971.db2.gz MSZUJULLBGPSEY-GXTWGEPZSA-N 1 0 316.253 4.912 10 0 DJAERO [NH3+]C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)c1cccs1 ZINC000043109146 183338030 /nfs/dbraw/zinc/33/80/30/183338030.db2.gz OZRDNTTYSPWMBP-NSHDSACASA-N 1 0 322.644 4.787 10 0 DJAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000043111952 183338058 /nfs/dbraw/zinc/33/80/58/183338058.db2.gz DMCFWDCLCPROMH-AMIZOPFISA-N 1 0 302.226 4.522 10 0 DJAERO C[C@@H]([NH3+])[C@@H](Oc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000043111698 183338261 /nfs/dbraw/zinc/33/82/61/183338261.db2.gz WYNLKCKBZKPDBW-AMIZOPFISA-N 1 0 302.226 4.522 10 0 DJAERO C[C@H]([NH3+])[C@@H](Oc1cc(Cl)ccc1Cl)c1cccs1 ZINC000043107836 183338384 /nfs/dbraw/zinc/33/83/84/183338384.db2.gz SZRGDSHHNUPRHO-ISVAXAHUSA-N 1 0 302.226 4.522 10 0 DJAERO C[C@H]([NH3+])[C@H](Oc1cc(Cl)ccc1Cl)c1cccs1 ZINC000043107832 183338552 /nfs/dbraw/zinc/33/85/52/183338552.db2.gz SZRGDSHHNUPRHO-SDBXPKJASA-N 1 0 302.226 4.522 10 0 DJAERO [NH3+]C[C@H](Oc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000043087176 183335148 /nfs/dbraw/zinc/33/51/48/183335148.db2.gz HWFIAWIYCCRGJP-AWEZNQCLSA-N 1 0 316.615 4.726 10 0 DJAERO Cc1ccccc1[C@@H](C[NH3+])Sc1cccc(Br)c1 ZINC000055307055 183978225 /nfs/dbraw/zinc/97/82/25/183978225.db2.gz XILBFLZCGVMJNT-OAHLLOKOSA-N 1 0 322.271 4.550 10 0 DJAERO CC(C)(C)c1ccc([C@@H](C[NH3+])Nc2ccc(Cl)cc2)cc1 ZINC000057631210 184043193 /nfs/dbraw/zinc/04/31/93/184043193.db2.gz HLEOURDRJRVFRP-QGZVFWFLSA-N 1 0 302.849 4.749 10 0 DJAERO [NH3+]C[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccccc1Cl ZINC000057743443 184050879 /nfs/dbraw/zinc/05/08/79/184050879.db2.gz ATHMINGRAPMAGD-LLVKDONJSA-N 1 0 314.643 4.932 10 0 DJAERO [NH3+][C@H](Cc1ccc(Cl)s1)Cc1c(Cl)cccc1Cl ZINC000060701505 184154713 /nfs/dbraw/zinc/15/47/13/184154713.db2.gz ROIJVTFFDJLHHK-MRVPVSSYSA-N 1 0 320.672 4.821 10 0 DJAERO CC(C)C[NH2+]Cc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000061800859 184187558 /nfs/dbraw/zinc/18/75/58/184187558.db2.gz NTFPNHZGHFMULI-UHFFFAOYSA-N 1 0 315.269 4.863 10 0 DJAERO COc1cc2[nH+]ccc(Nc3cccc(C)c3C)c2cc1OC ZINC000065005273 184308262 /nfs/dbraw/zinc/30/82/62/184308262.db2.gz AVULLOTVHPZSPN-UHFFFAOYSA-N 1 0 308.381 4.612 10 0 DJAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)cn1 ZINC000274858916 130268389 /nfs/dbraw/zinc/26/83/89/130268389.db2.gz CPANBJPFMNSPMF-UMNHJUIQSA-N 1 0 306.759 4.507 10 0 DJAERO C[C@@H]([NH2+][C@H](C)c1ccc(F)cn1)c1ccc(Cl)c(Cl)c1 ZINC000092195299 332116495 /nfs/dbraw/zinc/11/64/95/332116495.db2.gz ZHTQGQJIADWDGB-NXEZZACHSA-N 1 0 313.203 4.939 10 0 DJAERO Cc1cncc(C[NH2+][C@H](c2ccccc2)c2ccccc2C)c1 ZINC000181028819 332173200 /nfs/dbraw/zinc/17/32/00/332173200.db2.gz PIRIRDKAFOSERC-OAQYLSRUSA-N 1 0 302.421 4.578 10 0 DJAERO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(OC)c1)c1cccs1 ZINC000040490964 333353724 /nfs/dbraw/zinc/35/37/24/333353724.db2.gz GUDDPJICMOPVCA-TZMCWYRMSA-N 1 0 305.443 4.567 10 0 DJAERO CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(OC)c1)c1cccs1 ZINC000040490963 333353790 /nfs/dbraw/zinc/35/37/90/333353790.db2.gz GUDDPJICMOPVCA-OCCSQVGLSA-N 1 0 305.443 4.567 10 0 DJAERO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)cc1 ZINC000164988018 334691742 /nfs/dbraw/zinc/69/17/42/334691742.db2.gz SKBHENFZWUGQSU-LAUBAEHRSA-N 1 0 302.421 4.830 10 0 DJAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)cc1 ZINC000192706640 336259095 /nfs/dbraw/zinc/25/90/95/336259095.db2.gz WYUDDOCYQAILJX-KXBFYZLASA-N 1 0 311.425 4.648 10 0 DJAERO Cc1cccc2c(N3C[C@@H](C)O[C@@H](c4ccsc4)C3)cc[nH+]c12 ZINC000301721591 336325523 /nfs/dbraw/zinc/32/55/23/336325523.db2.gz QRCKSZHBYXPOFA-RDTXWAMCSA-N 1 0 324.449 4.571 10 0 DJAERO C[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccccc1Br ZINC000034992176 336384925 /nfs/dbraw/zinc/38/49/25/336384925.db2.gz GOVFBXZDYZDUPW-NSHDSACASA-N 1 0 324.649 4.953 10 0 DJAERO COc1cccc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)c1 ZINC000177290019 337156775 /nfs/dbraw/zinc/15/67/75/337156775.db2.gz NGIPXHHAGBBNIO-IERDGZPVSA-N 1 0 318.420 4.530 10 0 DJAERO C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccccc1F ZINC000178606339 337165458 /nfs/dbraw/zinc/16/54/58/337165458.db2.gz ZVMXHQHAEXTCIE-QRWLVFNGSA-N 1 0 306.384 4.661 10 0 DJAERO C[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1cc(F)cc(F)c1 ZINC000178610702 337165473 /nfs/dbraw/zinc/16/54/73/337165473.db2.gz KNRCUQMPSBOIOX-XOBRGWDASA-N 1 0 324.374 4.800 10 0 DJAERO COc1ccccc1[C@@H](C)N[C@H](c1ccccc1)c1cccnc1 ZINC000178609239 337165515 /nfs/dbraw/zinc/16/55/15/337165515.db2.gz JKXCBZCOBAZPQH-IIBYNOLFSA-N 1 0 318.420 4.530 10 0 DJAERO Cc1csc([C@H]2CCC[N@H+](Cc3ccc(C(F)F)cc3)C2)n1 ZINC000183932935 337195648 /nfs/dbraw/zinc/19/56/48/337195648.db2.gz CXIOVRXYKKLBCI-HNNXBMFYSA-N 1 0 322.424 4.769 10 0 DJAERO CC[C@@H](NCc1ncc(-c2cccc(F)c2)o1)c1cccs1 ZINC000184059319 337196994 /nfs/dbraw/zinc/19/69/94/337196994.db2.gz KTGQZAJWFQNMQV-CQSZACIVSA-N 1 0 316.401 4.783 10 0 DJAERO CC(=O)O[C@@H]1CCCCCCCCCC[C@H]1[NH+]1CCCCC1 ZINC000584600578 337370857 /nfs/dbraw/zinc/37/08/57/337370857.db2.gz QVXUXGOJHBYJOU-RTBURBONSA-N 1 0 309.494 4.687 10 0 DJAERO COc1cc2c(cc1OCc1ccccc1)C[C@H](C(C)(C)C)N=C2 ZINC000584606204 337371665 /nfs/dbraw/zinc/37/16/65/337371665.db2.gz NCUNTMKMPAEJOE-HXUWFJFHSA-N 1 0 323.436 4.664 10 0 DJAERO C[NH+]1CCC([C@H]2c3ccccc3Nc3ccc(Cl)cc32)CC1 ZINC000584591455 337373445 /nfs/dbraw/zinc/37/34/45/337373445.db2.gz DFZLUKDLIQRGKI-IBGZPJMESA-N 1 0 312.844 4.871 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cc2ccccc2s1 ZINC000249173255 337569985 /nfs/dbraw/zinc/56/99/85/337569985.db2.gz CRALKSICSYCGDD-APHBMKBZSA-N 1 0 301.455 4.510 10 0 DJAERO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(Cl)c(Cl)c1 ZINC000036168079 337746087 /nfs/dbraw/zinc/74/60/87/337746087.db2.gz YKYOLFLOHQKGRV-SNVBAGLBSA-N 1 0 324.207 4.573 10 0 DJAERO CCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCc3cc(F)ccc32)s1 ZINC000090964042 337887563 /nfs/dbraw/zinc/88/75/63/337887563.db2.gz FTEUMPRRGWTJIE-BDJLRTHQSA-N 1 0 318.461 4.881 10 0 DJAERO CCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCCc3cc(F)ccc32)s1 ZINC000090964044 337887640 /nfs/dbraw/zinc/88/76/40/337887640.db2.gz FTEUMPRRGWTJIE-BZNIZROVSA-N 1 0 318.461 4.881 10 0 DJAERO Cc1cc(C[NH2+][C@@H](C)c2cccc(Br)c2)cs1 ZINC000379757392 339053530 /nfs/dbraw/zinc/05/35/30/339053530.db2.gz YOLUYBMTFPXXSM-NSHDSACASA-N 1 0 310.260 4.670 10 0 DJAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000484379907 339685829 /nfs/dbraw/zinc/68/58/29/339685829.db2.gz PYKFHGCYTTUVPO-PPKCKEKNSA-N 1 0 308.249 4.677 10 0 DJAERO COc1ccsc1[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000186096754 340508184 /nfs/dbraw/zinc/50/81/84/340508184.db2.gz ZEORTPCYZGPZET-BDAKNGLRSA-N 1 0 301.864 4.883 10 0 DJAERO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)cnn1C(C)(C)C ZINC000191338464 340553095 /nfs/dbraw/zinc/55/30/95/340553095.db2.gz MVJMRHDOVDKRMO-UONOGXRCSA-N 1 0 317.452 4.806 10 0 DJAERO CC1(C)C[C@H]([NH2+]Cc2cc(Cl)cs2)c2ccccc2O1 ZINC000193151708 340573103 /nfs/dbraw/zinc/57/31/03/340573103.db2.gz FMPOIPNKRVLLPR-AWEZNQCLSA-N 1 0 307.846 4.794 10 0 DJAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)c(F)c1 ZINC000037218027 340774943 /nfs/dbraw/zinc/77/49/43/340774943.db2.gz ZSTMRQQQZJJZIM-NWDGAFQWSA-N 1 0 307.796 4.900 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Br)c2)c(C)c1 ZINC000037772130 340786764 /nfs/dbraw/zinc/78/67/64/340786764.db2.gz YYJVRZJONNBEBV-CQSZACIVSA-N 1 0 318.258 4.917 10 0 DJAERO CCc1ncc(C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000037924159 340788461 /nfs/dbraw/zinc/78/84/61/340788461.db2.gz HSNUUQGVFVAMFO-AWEZNQCLSA-N 1 0 302.487 4.755 10 0 DJAERO CC[C@@H]([NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)c1ccncc1 ZINC000163794394 522944865 /nfs/dbraw/zinc/94/48/65/522944865.db2.gz HJKYEHWSIQDYSL-MOPGFXCFSA-N 1 0 322.452 4.959 10 0 DJAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)c2ccsc2S1 ZINC000130216666 524930883 /nfs/dbraw/zinc/93/08/83/524930883.db2.gz BEXRENVWKVHZSD-GLQYFDAESA-N 1 0 317.479 4.787 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C)c1cccs1 ZINC000179972287 525622162 /nfs/dbraw/zinc/62/21/62/525622162.db2.gz ZIOTXBZVWLDNEK-MNOVXSKESA-N 1 0 319.861 4.700 10 0 DJAERO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)cnn1C(C)C ZINC000191205534 525899821 /nfs/dbraw/zinc/89/98/21/525899821.db2.gz CAVUNDTUUDASMH-NWDGAFQWSA-N 1 0 323.843 4.977 10 0 DJAERO CCC[NH2+]Cc1cc(Cl)ccc1OCc1cccc(C)c1 ZINC000034815420 563246561 /nfs/dbraw/zinc/24/65/61/563246561.db2.gz ZVMFMBBUGHFMPJ-UHFFFAOYSA-N 1 0 303.833 4.727 10 0 DJAERO CCCCOCCC[NH2+]Cc1c(OCC)ccc2ccccc21 ZINC000013719899 563387418 /nfs/dbraw/zinc/38/74/18/563387418.db2.gz MBWUPZSEQXHMGC-UHFFFAOYSA-N 1 0 315.457 4.535 10 0 DJAERO Cc1ccc(-c2ccc(C[NH2+]CCCOC(C)C)o2)cc1Cl ZINC000013722071 563387599 /nfs/dbraw/zinc/38/75/99/563387599.db2.gz CDXQBCHUGXLYHT-UHFFFAOYSA-N 1 0 321.848 4.813 10 0 DJAERO c1cc2n(c1)-c1sc3c(c1C[NH2+][C@H]2c1ccccc1)CCCC3 ZINC000032917088 563443110 /nfs/dbraw/zinc/44/31/10/563443110.db2.gz FTDQLPDUXOUOJR-IBGZPJMESA-N 1 0 320.461 4.610 10 0 DJAERO CC(C)C[NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000032198042 563769019 /nfs/dbraw/zinc/76/90/19/563769019.db2.gz AGQCESUBTMTNJD-UHFFFAOYSA-N 1 0 303.833 4.665 10 0 DJAERO Fc1cc(-c2ccccc2)ccc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000095940881 563931950 /nfs/dbraw/zinc/93/19/50/563931950.db2.gz CHZIPZQBHYPXHR-IBGZPJMESA-N 1 0 321.399 4.553 10 0 DJAERO CC(C)[NH2+]Cc1sc(CCc2ccccc2)nc1C(C)C ZINC000082435003 185182130 /nfs/dbraw/zinc/18/21/30/185182130.db2.gz GAMNJFSNBINATL-UHFFFAOYSA-N 1 0 302.487 4.550 10 0 DJAERO Cc1cc(C)cc(C(OC[C@H]2CCC[NH2+]2)c2cc(C)cc(C)c2)c1 ZINC000083295418 185221786 /nfs/dbraw/zinc/22/17/86/185221786.db2.gz VNXBFOZQTCJIGM-OAQYLSRUSA-N 1 0 323.480 4.778 10 0 DJAERO C[NH+](C)CCC[C@H]1c2ccsc2SCc2ccccc21 ZINC000003777384 181045130 /nfs/dbraw/zinc/04/51/30/181045130.db2.gz YFSRNXPHHJLMCX-OAHLLOKOSA-N 1 0 303.496 4.828 10 0 in-man DJAERO C[N@@H+]1Cc2ccccc2C12c1ccccc1CCc1ccccc12 ZINC000006661384 181367305 /nfs/dbraw/zinc/36/73/05/181367305.db2.gz LHTVZDOHGJLKNS-UHFFFAOYSA-N 1 0 311.428 4.523 10 0 DJAERO CC(C)C[C@@H](CSC(F)(F)F)[NH2+]Cc1ccc(F)cc1 ZINC000095918335 193449498 /nfs/dbraw/zinc/44/94/98/193449498.db2.gz IGOXGBCMMAPOQZ-ZDUSSCGKSA-N 1 0 309.372 4.583 10 0 DJAERO CC[N@H+]([C@H](CN)c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000019230818 182109596 /nfs/dbraw/zinc/10/95/96/182109596.db2.gz WQHDZTDRFIEOMQ-MRXNPFEDSA-N 1 0 315.288 4.648 10 0 DJAERO CC[C@@H]([NH2+]Cc1ccc(C)cc1)c1ccc(Br)cc1 ZINC000019962581 182170800 /nfs/dbraw/zinc/17/08/00/182170800.db2.gz YZNYWXAJTVBHEK-QGZVFWFLSA-N 1 0 318.258 4.998 10 0 DJAERO Cc1cc(C)c([C@H]([NH3+])c2ccc(Br)cc2F)c(C)c1 ZINC000019968713 182171317 /nfs/dbraw/zinc/17/13/17/182171317.db2.gz PFVPWPWTRGQIJD-MRXNPFEDSA-N 1 0 322.221 4.562 10 0 DJAERO CCC(CC)[C@@H]([NH3+])c1cc(Cl)cc(Br)c1OC ZINC000019967840 182171713 /nfs/dbraw/zinc/17/17/13/182171713.db2.gz DSFDHJNFZMLMPL-GFCCVEGCSA-N 1 0 320.658 4.547 10 0 DJAERO C[C@H]([NH2+]Cc1cccc(Br)c1)c1ccccc1Cl ZINC000020123975 182189744 /nfs/dbraw/zinc/18/97/44/182189744.db2.gz UFWZYGWSPQAEGJ-NSHDSACASA-N 1 0 324.649 4.953 10 0 DJAERO C[C@@H]([NH2+]Cc1ccccc1Br)c1cccc(Cl)c1 ZINC000020124306 182189872 /nfs/dbraw/zinc/18/98/72/182189872.db2.gz WTHHOCRLQZFSEZ-LLVKDONJSA-N 1 0 324.649 4.953 10 0 DJAERO CC[C@H]([NH2+]C(C1CC1)C1CC1)c1ccc(Br)cc1 ZINC000020131125 182190270 /nfs/dbraw/zinc/19/02/70/182190270.db2.gz WFXXQFBJQAXDQG-HNNXBMFYSA-N 1 0 308.263 4.678 10 0 DJAERO Cc1ccc(Oc2cccc(F)c2[C@H](C)[NH3+])c(Br)c1 ZINC000020077956 182185078 /nfs/dbraw/zinc/18/50/78/182185078.db2.gz UTRCWXQOZWNODY-JTQLQIEISA-N 1 0 324.193 4.709 10 0 DJAERO CCN(Cc1ccccc1)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020226298 182198590 /nfs/dbraw/zinc/19/85/90/182198590.db2.gz KYDQCRFXFCTLRG-FQEVSTJZSA-N 1 0 310.485 4.506 10 0 DJAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])CCC(C)C ZINC000020252190 182200230 /nfs/dbraw/zinc/20/02/30/182200230.db2.gz YCQNEEHNSHUTGG-LBPRGKRZSA-N 1 0 320.658 4.547 10 0 DJAERO Cc1ccc([C@@H]([NH3+])c2cc3cc(Br)ccc3o2)cc1 ZINC000020389737 182213532 /nfs/dbraw/zinc/21/35/32/182213532.db2.gz PGXCSAKQYGBBIK-MRXNPFEDSA-N 1 0 316.198 4.552 10 0 DJAERO C[C@@H](C[NH2+][C@@H](C)c1cccc(Br)c1)c1ccccc1 ZINC000020558219 182231787 /nfs/dbraw/zinc/23/17/87/182231787.db2.gz NGNWALSGOHZTCI-KBPBESRZSA-N 1 0 318.258 4.903 10 0 DJAERO CCCOc1c(Cl)cc(C[NH2+]C(C)(C)CC)cc1OCC ZINC000020932208 182255105 /nfs/dbraw/zinc/25/51/05/182255105.db2.gz UZWDZZDMQCILOJ-UHFFFAOYSA-N 1 0 313.869 4.806 10 0 DJAERO CCCOc1c(Cl)cc(C[NH2+]CCC(C)C)cc1Cl ZINC000020926614 182254549 /nfs/dbraw/zinc/25/45/49/182254549.db2.gz VIIWSNOVCRANGR-UHFFFAOYSA-N 1 0 304.261 4.918 10 0 DJAERO CCCOc1ccc(C[NH2+]C2CCCCCC2)cc1OCC ZINC000020933394 182254965 /nfs/dbraw/zinc/25/49/65/182254965.db2.gz QNNQHYLXPKCPIX-UHFFFAOYSA-N 1 0 305.462 4.687 10 0 DJAERO CCCOc1ccc(C[NH2+]C2CCCCCCC2)cc1OC ZINC000020931169 182255344 /nfs/dbraw/zinc/25/53/44/182255344.db2.gz QDBCITBQKFFXAP-UHFFFAOYSA-N 1 0 305.462 4.687 10 0 DJAERO CC(C)(C)c1ccc([C@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000021033731 182262079 /nfs/dbraw/zinc/26/20/79/182262079.db2.gz WJZLZMUOMIZEKD-INIZCTEOSA-N 1 0 318.258 4.795 10 0 DJAERO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000021036953 182262095 /nfs/dbraw/zinc/26/20/95/182262095.db2.gz UUSSVRQJAMKXFW-LLVKDONJSA-N 1 0 302.231 4.503 10 0 DJAERO CC(C)(C)c1ccc([C@@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000021033724 182262294 /nfs/dbraw/zinc/26/22/94/182262294.db2.gz WJZLZMUOMIZEKD-MRXNPFEDSA-N 1 0 318.258 4.795 10 0 DJAERO CCN(c1ccccc1)[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000021790148 182289427 /nfs/dbraw/zinc/28/94/27/182289427.db2.gz LTWPLSSCYRFMCS-OAHLLOKOSA-N 1 0 309.240 4.520 10 0 DJAERO CC(C)(C)[C@H]1CCCC[C@@]1([NH3+])Cc1ccc(Br)cc1 ZINC000037530773 182904449 /nfs/dbraw/zinc/90/44/49/182904449.db2.gz DIXCQYVSHFPFMK-NVXWUHKLSA-N 1 0 324.306 4.925 10 0 DJAERO [NH3+][C@H](Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1Cl ZINC000037533901 182904985 /nfs/dbraw/zinc/90/49/85/182904985.db2.gz PNRAIFBOZBZMCY-CQSZACIVSA-N 1 0 314.643 4.759 10 0 DJAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)c1cccs1 ZINC000040237944 183048507 /nfs/dbraw/zinc/04/85/07/183048507.db2.gz BAXMWFFBTWIYLE-ZDUSSCGKSA-N 1 0 300.254 4.948 10 0 DJAERO Cc1cc(NCc2ccco2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570857 183103933 /nfs/dbraw/zinc/10/39/33/183103933.db2.gz AROXIPHFSRFPBH-UHFFFAOYSA-N 1 0 306.287 4.767 10 0 DJAERO CCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2Cl)s1 ZINC000040997061 183155410 /nfs/dbraw/zinc/15/54/10/183155410.db2.gz NDNZFCMTBZWKCL-UHFFFAOYSA-N 1 0 301.242 4.617 10 0 DJAERO CCC[NH2+]Cc1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000041010074 183155896 /nfs/dbraw/zinc/15/58/96/183155896.db2.gz KJKCEBOCDDNNMX-UHFFFAOYSA-N 1 0 301.242 4.617 10 0 DJAERO CC(C)[NH2+]Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000041010140 183155963 /nfs/dbraw/zinc/15/59/63/183155963.db2.gz AUUXQTGHGADAOU-UHFFFAOYSA-N 1 0 301.242 4.615 10 0 DJAERO COc1cc(Nc2cc[nH+]c3c(C)c(C)ccc23)cc(OC)c1 ZINC000041055401 183160282 /nfs/dbraw/zinc/16/02/82/183160282.db2.gz NFFNGIRKONOYKT-UHFFFAOYSA-N 1 0 308.381 4.612 10 0 DJAERO CC[C@H](C)[C@@H](C)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000042553498 183284327 /nfs/dbraw/zinc/28/43/27/183284327.db2.gz IBNGWNYNUJPZBX-QFNJPPCTSA-N 1 0 310.279 4.719 10 0 DJAERO CC[NH2+][C@H](c1sccc1C)c1ccccc1Br ZINC000042729793 183302814 /nfs/dbraw/zinc/30/28/14/183302814.db2.gz IBZUXKWYXBSOJL-ZDUSSCGKSA-N 1 0 310.260 4.518 10 0 DJAERO [NH3+]C[C@@H](Sc1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000042943009 183319718 /nfs/dbraw/zinc/31/97/18/183319718.db2.gz CCPPCOZEQNOZFO-CQSZACIVSA-N 1 0 316.228 4.925 10 0 DJAERO CC[C@@H]([NH3+])[C@@H](SCC(C)C)c1ccc(Br)cc1 ZINC000042959386 183323726 /nfs/dbraw/zinc/32/37/26/183323726.db2.gz FRJPRWGJHINGFO-KGLIPLIRSA-N 1 0 316.308 4.617 10 0 DJAERO Cc1ccccc1S[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043025056 183331155 /nfs/dbraw/zinc/33/11/55/183331155.db2.gz KXXCXWJSYDNTGQ-OAHLLOKOSA-N 1 0 322.271 4.550 10 0 DJAERO C[C@@H]([NH3+])[C@@H](Sc1ccccc1)c1cccc(Br)c1 ZINC000043024150 183331290 /nfs/dbraw/zinc/33/12/90/183331290.db2.gz QKLXEUVBRQINDH-IAQYHMDHSA-N 1 0 322.271 4.630 10 0 DJAERO CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000042816084 183311959 /nfs/dbraw/zinc/31/19/59/183311959.db2.gz NEGBEWJCNBQKPR-WFASDCNBSA-N 1 0 302.245 4.603 10 0 DJAERO CC[C@@H]([NH3+])[C@@H](SCC(C)C)c1ccccc1Br ZINC000043096181 183337513 /nfs/dbraw/zinc/33/75/13/183337513.db2.gz HTJUCHRDJPPOMM-KGLIPLIRSA-N 1 0 316.308 4.617 10 0 DJAERO CC[C@H]([NH3+])[C@H](Oc1cccc(Cl)c1Cl)c1cccs1 ZINC000043110150 183338095 /nfs/dbraw/zinc/33/80/95/183338095.db2.gz DXMOWYQWVQSJQD-HZMBPMFUSA-N 1 0 316.253 4.912 10 0 DJAERO C[C@@H]([NH3+])[C@H](Oc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000043111944 183338327 /nfs/dbraw/zinc/33/83/27/183338327.db2.gz DMCFWDCLCPROMH-OQPBUACISA-N 1 0 302.226 4.522 10 0 DJAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1 ZINC000050038526 183768491 /nfs/dbraw/zinc/76/84/91/183768491.db2.gz PWXFNMOQSUBAFR-CQSZACIVSA-N 1 0 300.616 4.889 10 0 DJAERO CC(C)(C)c1ccc([C@@H](C[NH3+])Nc2cccc(Cl)c2)cc1 ZINC000057631206 184043276 /nfs/dbraw/zinc/04/32/76/184043276.db2.gz LXQUFVYVYHGHGA-QGZVFWFLSA-N 1 0 302.849 4.749 10 0 DJAERO C[C@@H]([NH3+])c1ccc(O[C@@H](C)c2ccccc2)c(Br)c1 ZINC000061698819 184183979 /nfs/dbraw/zinc/18/39/79/184183979.db2.gz MOBIYVWCJWKPEN-NEPJUHHUSA-N 1 0 320.230 4.609 10 0 DJAERO C[NH2+][C@H](Cc1ccc(Cl)s1)Cc1c(F)cccc1Cl ZINC000062352446 184231909 /nfs/dbraw/zinc/23/19/09/184231909.db2.gz UXJJTOPPMQEECT-SECBINFHSA-N 1 0 318.244 4.567 10 0 DJAERO [NH3+]Cc1cc(F)c(Oc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000062720871 184250909 /nfs/dbraw/zinc/25/09/09/184250909.db2.gz GVLLVNHYRSFLRB-UHFFFAOYSA-N 1 0 304.123 4.523 10 0 DJAERO [NH3+][C@@H](c1ccc(F)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000062792164 184253260 /nfs/dbraw/zinc/25/32/60/184253260.db2.gz PISGOAWZVDTOHB-ZDUSSCGKSA-N 1 0 304.579 4.834 10 0 DJAERO C[NH2+][C@@H](C)c1ccc(SC2CCCC2)c(Br)c1 ZINC000062829830 184254983 /nfs/dbraw/zinc/25/49/83/184254983.db2.gz LGRGBEAUUBBHOM-JTQLQIEISA-N 1 0 314.292 4.764 10 0 DJAERO CCc1ccc2[nH+]ccc(Nc3cc(OC)cc(OC)c3)c2c1 ZINC000065005498 184308585 /nfs/dbraw/zinc/30/85/85/184308585.db2.gz YVJAOSPSGRDVDG-UHFFFAOYSA-N 1 0 308.381 4.558 10 0 DJAERO C[C@H](C[NH2+]C1CCCCC1)Oc1ccc(Cl)cc1Cl ZINC000066163183 184394599 /nfs/dbraw/zinc/39/45/99/184394599.db2.gz XZQFQUBXGSBENR-LLVKDONJSA-N 1 0 302.245 4.683 10 0 DJAERO CCCn1ccc(C[NH2+][C@@H](C)c2ccccc2Br)c1 ZINC000091010463 332058674 /nfs/dbraw/zinc/05/86/74/332058674.db2.gz XJJQDKLZASWXPO-ZDUSSCGKSA-N 1 0 321.262 4.511 10 0 DJAERO CCCn1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2)c1 ZINC000091012886 332058683 /nfs/dbraw/zinc/05/86/83/332058683.db2.gz KTOPNEJGVGQFQG-CYBMUJFWSA-N 1 0 321.262 4.511 10 0 DJAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000151701998 332605062 /nfs/dbraw/zinc/60/50/62/332605062.db2.gz NNBGHABSMITEHW-IAGOWNOFSA-N 1 0 305.425 4.593 10 0 DJAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)CC2 ZINC000092835477 332693656 /nfs/dbraw/zinc/69/36/56/332693656.db2.gz KCOUHACJNIAFNA-SGTLLEGYSA-N 1 0 301.817 4.687 10 0 DJAERO Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000178000868 333000769 /nfs/dbraw/zinc/00/07/69/333000769.db2.gz TYSVXRXTXLFLPC-IUODEOHRSA-N 1 0 316.470 4.713 10 0 DJAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000390544732 333296375 /nfs/dbraw/zinc/29/63/75/333296375.db2.gz TXSGNMRRFRQQGV-OLZOCXBDSA-N 1 0 309.862 4.657 10 0 DJAERO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1cccc(Cl)c1 ZINC000020545181 333321760 /nfs/dbraw/zinc/32/17/60/333321760.db2.gz WPVAZQCFEADEKE-NSHDSACASA-N 1 0 311.759 4.792 10 0 DJAERO CC[N@H+](Cc1ccccc1C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000101726258 334351014 /nfs/dbraw/zinc/35/10/14/334351014.db2.gz ZWPYEVJSYOYWOL-MRXNPFEDSA-N 1 0 321.424 4.628 10 0 DJAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)s1 ZINC000050225214 334376634 /nfs/dbraw/zinc/37/66/34/334376634.db2.gz OXHSAPHWGNKFIU-HNNXBMFYSA-N 1 0 303.471 4.942 10 0 DJAERO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000164987754 334691770 /nfs/dbraw/zinc/69/17/70/334691770.db2.gz SKBHENFZWUGQSU-UWJYYQICSA-N 1 0 302.421 4.830 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1C(F)(F)F ZINC000192794508 336262023 /nfs/dbraw/zinc/26/20/23/336262023.db2.gz VMSDZRNHNVCZNR-BLLLJJGKSA-N 1 0 321.342 4.880 10 0 DJAERO COc1cccc2cc([C@@H](C)[NH2+][C@H]3CCOc4ccccc43)oc21 ZINC000192793532 336262134 /nfs/dbraw/zinc/26/21/34/336262134.db2.gz XKKQHTXKVPEXJO-CJNGLKHVSA-N 1 0 323.392 4.616 10 0 DJAERO Clc1ccc([C@H]([NH2+][C@H]2CCOc3ccccc32)C2CC2)cc1 ZINC000193003040 336286835 /nfs/dbraw/zinc/28/68/35/336286835.db2.gz JROKMSPZJGPCII-PKOBYXMFSA-N 1 0 313.828 4.905 10 0 DJAERO Cc1ccc(C[NH2+][C@H](C)c2ccccc2Br)cc1C ZINC000034992215 336384900 /nfs/dbraw/zinc/38/49/00/336384900.db2.gz CRRFCPBPJYDDJD-CQSZACIVSA-N 1 0 318.258 4.917 10 0 DJAERO C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccccc1Br ZINC000034992177 336384936 /nfs/dbraw/zinc/38/49/36/336384936.db2.gz GOVFBXZDYZDUPW-LLVKDONJSA-N 1 0 324.649 4.953 10 0 DJAERO CCc1ccc(C[NH2+][C@@H](C)c2ccccc2Br)cc1 ZINC000034992198 336384984 /nfs/dbraw/zinc/38/49/84/336384984.db2.gz IPAUISZEEXKZPB-ZDUSSCGKSA-N 1 0 318.258 4.862 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(Br)cs2)o1 ZINC000193947808 337080748 /nfs/dbraw/zinc/08/07/48/337080748.db2.gz WUVLXZHDBBBNHY-ZJUUUORDSA-N 1 0 314.248 4.824 10 0 DJAERO Cc1cc2c(cc1C)[C@@H]([NH2+][C@H]1CCOc3ccccc31)CCCO2 ZINC000178275202 337161919 /nfs/dbraw/zinc/16/19/19/337161919.db2.gz ZFTRWGLDOGKVMJ-OALUTQOASA-N 1 0 323.436 4.631 10 0 DJAERO C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1ccccc1F ZINC000178606367 337165366 /nfs/dbraw/zinc/16/53/66/337165366.db2.gz ZVMXHQHAEXTCIE-FOIQADDNSA-N 1 0 306.384 4.661 10 0 DJAERO C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1cccc(F)c1 ZINC000178612730 337165449 /nfs/dbraw/zinc/16/54/49/337165449.db2.gz AGHJKKNEPPCPAX-MGPUTAFESA-N 1 0 306.384 4.661 10 0 DJAERO Cc1cccc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)c1 ZINC000178614426 337165669 /nfs/dbraw/zinc/16/56/69/337165669.db2.gz KGKYYNGCTMJCQO-DYESRHJHSA-N 1 0 302.421 4.830 10 0 DJAERO [NH3+]Cc1ccccc1Oc1cc(Cl)c(Cl)c(Cl)c1 ZINC000584595223 337374002 /nfs/dbraw/zinc/37/40/02/337374002.db2.gz RPMDUYUUSSEJNL-UHFFFAOYSA-N 1 0 302.588 4.898 10 0 DJAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(Br)c2)o1 ZINC000036919953 337794198 /nfs/dbraw/zinc/79/41/98/337794198.db2.gz MKZKJQLBQKAQOX-NEPJUHHUSA-N 1 0 308.219 4.762 10 0 DJAERO CC[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1cc(C)ccc1OC ZINC000093369661 337915839 /nfs/dbraw/zinc/91/58/39/337915839.db2.gz HYYKTFPFXLRKOQ-MSOLQXFVSA-N 1 0 311.425 4.568 10 0 DJAERO C[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1cc(F)ccc1F ZINC000083477073 337994912 /nfs/dbraw/zinc/99/49/12/337994912.db2.gz GOOBCXMIFSIIPR-QGHHPUGFSA-N 1 0 307.771 4.956 10 0 DJAERO CCc1ccc([C@H](C)[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)cc1 ZINC000191110709 340550161 /nfs/dbraw/zinc/55/01/61/340550161.db2.gz BUVWJTQYKJWYNF-LSDHHAIUSA-N 1 0 313.489 4.921 10 0 DJAERO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)cnn1C(C)C ZINC000191338378 340553122 /nfs/dbraw/zinc/55/31/22/340553122.db2.gz FXAZNDPHUZHLPE-KBPBESRZSA-N 1 0 303.425 4.632 10 0 DJAERO C[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1ccc(Cl)s1 ZINC000235207047 340657651 /nfs/dbraw/zinc/65/76/51/340657651.db2.gz PRKUHBPXAXVSBO-QMTHXVAHSA-N 1 0 307.846 4.835 10 0 DJAERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)c(F)c1 ZINC000037218028 340774959 /nfs/dbraw/zinc/77/49/59/340774959.db2.gz ZSTMRQQQZJJZIM-VXGBXAGGSA-N 1 0 307.796 4.900 10 0 DJAERO Cc1nc(C)c(C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000080692794 341274500 /nfs/dbraw/zinc/27/45/00/341274500.db2.gz QWDKVRRNRNPVGW-ZDUSSCGKSA-N 1 0 302.487 4.809 10 0 DJAERO Cc1nc(C)c(C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000080692797 341274567 /nfs/dbraw/zinc/27/45/67/341274567.db2.gz QWDKVRRNRNPVGW-CYBMUJFWSA-N 1 0 302.487 4.809 10 0 DJAERO FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000085129260 341365402 /nfs/dbraw/zinc/36/54/02/341365402.db2.gz CFISTRYSGRCBAU-WHOHXGKFSA-N 1 0 317.317 4.818 10 0 DJAERO C[C@H]1C[C@H]([NH2+][C@H]2CCOc3ccccc32)c2ccsc2S1 ZINC000130217082 524929127 /nfs/dbraw/zinc/92/91/27/524929127.db2.gz BEXRENVWKVHZSD-CQDKDKBSSA-N 1 0 317.479 4.787 10 0 DJAERO C[C@@H]([NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C)c1cccs1 ZINC000179972313 525665059 /nfs/dbraw/zinc/66/50/59/525665059.db2.gz ZIOTXBZVWLDNEK-GHMZBOCLSA-N 1 0 319.861 4.700 10 0 DJAERO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)cnn1C(C)(C)C ZINC000191104569 525924385 /nfs/dbraw/zinc/92/43/85/525924385.db2.gz ZSZVMJYYSAOWKY-NEPJUHHUSA-N 1 0 321.415 4.637 10 0 DJAERO CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1C ZINC000034815414 563246587 /nfs/dbraw/zinc/24/65/87/563246587.db2.gz SRCVYUCCPMCNNX-UHFFFAOYSA-N 1 0 303.833 4.727 10 0 DJAERO CCOc1ccc(Cl)cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000013721173 563387466 /nfs/dbraw/zinc/38/74/66/563387466.db2.gz IHVJVYTUZFRKLS-UHFFFAOYSA-N 1 0 324.251 4.724 10 0 DJAERO CCC(C)(C)[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000013724993 563388028 /nfs/dbraw/zinc/38/80/28/563388028.db2.gz YLUVYWWKBASYOD-UHFFFAOYSA-N 1 0 307.821 4.887 10 0 DJAERO CC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010436530 563649256 /nfs/dbraw/zinc/64/92/56/563649256.db2.gz LZTOFUJJLGQDRJ-UHFFFAOYSA-N 1 0 303.833 4.807 10 0 DJAERO Clc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1ccccc1 ZINC000028428335 563751364 /nfs/dbraw/zinc/75/13/64/563751364.db2.gz VGYQVXPBTFDWQR-UHFFFAOYSA-N 1 0 322.235 4.824 10 0 DJAERO CCCc1nc(-c2ccc(CC)cc2)sc1C[NH2+]C(C)C ZINC000082428463 185181288 /nfs/dbraw/zinc/18/12/88/185181288.db2.gz DTYPZWXTFHUIJP-UHFFFAOYSA-N 1 0 302.487 4.823 10 0 DJAERO CC(C)c1nc(-c2ccc(Cl)cc2)sc1C[NH2+]C1CC1 ZINC000082429693 185181617 /nfs/dbraw/zinc/18/16/17/185181617.db2.gz DNYPZQRUOHEKBP-UHFFFAOYSA-N 1 0 306.862 4.839 10 0 DJAERO CCC[NH2+]Cc1sc(-c2ccc(CC)cc2)nc1C(C)C ZINC000082431289 185181839 /nfs/dbraw/zinc/18/18/39/185181839.db2.gz RBGITJBUEUOCEU-UHFFFAOYSA-N 1 0 302.487 4.996 10 0 DJAERO COc1ccc2cc(C3=CCC4(CC[NH2+]CC4)CC3)ccc2c1 ZINC000090548382 185302437 /nfs/dbraw/zinc/30/24/37/185302437.db2.gz HCZGRDFJPIIJTP-UHFFFAOYSA-N 1 0 307.437 4.786 10 0 DJAERO C[C@@H]([NH3+])[C@H](Sc1ccccc1Br)c1ccccc1 ZINC000042904838 190672311 /nfs/dbraw/zinc/67/23/11/190672311.db2.gz GQSFHRRFOWDJKW-ABAIWWIYSA-N 1 0 322.271 4.630 10 0 DJAERO CCCCC(=O)c1ccc(OCC[NH+](C(C)C)C(C)C)cc1 ZINC000003621447 181042347 /nfs/dbraw/zinc/04/23/47/181042347.db2.gz LYCXIVRGBCEXHJ-UHFFFAOYSA-N 1 0 305.462 4.557 10 0 DJAERO CCOc1c(C[NH2+]C2CCCCCC2)cc(Cl)cc1OC ZINC000010475302 181672340 /nfs/dbraw/zinc/67/23/40/181672340.db2.gz VMXGQAAXYYEZFZ-UHFFFAOYSA-N 1 0 311.853 4.560 10 0 DJAERO [NH3+]Cc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000011851496 181711860 /nfs/dbraw/zinc/71/18/60/181711860.db2.gz GGIVHQKUXFMPQF-UHFFFAOYSA-N 1 0 300.814 4.589 10 0 DJAERO CC(C)CC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000013724160 181883989 /nfs/dbraw/zinc/88/39/89/181883989.db2.gz NSUDGTTWYVEFHH-UHFFFAOYSA-N 1 0 301.405 4.540 10 0 DJAERO CC(C)(C)CC(C)(C)[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013731651 181885714 /nfs/dbraw/zinc/88/57/14/181885714.db2.gz XEQFTEYINFZOJR-UHFFFAOYSA-N 1 0 313.445 4.573 10 0 DJAERO C[C@@H]([NH2+]Cc1ccccc1Cl)c1cccc(Br)c1 ZINC000019908197 182162873 /nfs/dbraw/zinc/16/28/73/182162873.db2.gz ULABZHJCJLRXGW-LLVKDONJSA-N 1 0 324.649 4.953 10 0 DJAERO C[C@H]([NH2+]Cc1ccccc1Cl)c1cccc(Br)c1 ZINC000019908198 182162932 /nfs/dbraw/zinc/16/29/32/182162932.db2.gz ULABZHJCJLRXGW-NSHDSACASA-N 1 0 324.649 4.953 10 0 DJAERO CC[C@@H](C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019971879 182172008 /nfs/dbraw/zinc/17/20/08/182172008.db2.gz CFLHOMIZMFNMOA-HQJQHLMTSA-N 1 0 310.157 4.514 10 0 DJAERO [NH3+][C@@H](c1cc(C(F)(F)F)ccc1Br)C1CCCC1 ZINC000019971850 182172117 /nfs/dbraw/zinc/17/21/17/182172117.db2.gz JHDOTPUZGQGBJC-GFCCVEGCSA-N 1 0 322.168 4.658 10 0 DJAERO CC[C@H](C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019971880 182172305 /nfs/dbraw/zinc/17/23/05/182172305.db2.gz CFLHOMIZMFNMOA-CPCISQLKSA-N 1 0 310.157 4.514 10 0 DJAERO CC(C)(C)C1CCC([NH2+]Cc2nc3ccccc3s2)CC1 ZINC000020011000 182177643 /nfs/dbraw/zinc/17/76/43/182177643.db2.gz GXIQZMULKLNCJN-UHFFFAOYSA-N 1 0 302.487 4.991 10 0 DJAERO CC[C@@H]([NH2+][C@H](C)c1ccncc1)c1ccc(Br)cc1 ZINC000020121403 182189527 /nfs/dbraw/zinc/18/95/27/182189527.db2.gz ABICGZUGDNRSFN-MLGOLLRUSA-N 1 0 319.246 4.646 10 0 DJAERO Cc1cccc(C[NH2+][C@@H](C)c2cccc(Br)c2)c1 ZINC000020133978 182191063 /nfs/dbraw/zinc/19/10/63/182191063.db2.gz ZNZFLYCMRUENAV-ZDUSSCGKSA-N 1 0 304.231 4.608 10 0 DJAERO Cc1ccc(Oc2ccc([C@H](C)[NH3+])cc2F)c(Br)c1 ZINC000020077944 182185497 /nfs/dbraw/zinc/18/54/97/182185497.db2.gz GZQLSXQHQZZVAM-JTQLQIEISA-N 1 0 324.193 4.709 10 0 DJAERO Cc1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc(C)c1O ZINC000020305216 182205166 /nfs/dbraw/zinc/20/51/66/182205166.db2.gz PATJYCZOVJCUPB-UHFFFAOYSA-N 1 0 324.251 4.648 10 0 DJAERO CCCC[C@H](CC)[C@H]([NH3+])c1cc(Br)ccc1OC ZINC000020586536 182235983 /nfs/dbraw/zinc/23/59/83/182235983.db2.gz VZYBMPKPAWDIGO-NHYWBVRUSA-N 1 0 314.267 4.674 10 0 DJAERO CCCOc1ccc(C[NH2+]C(C)(C)CC)cc1Br ZINC000020926168 182254425 /nfs/dbraw/zinc/25/44/25/182254425.db2.gz WKUMSUIEQKTNGO-UHFFFAOYSA-N 1 0 314.267 4.516 10 0 DJAERO COc1c(Cl)cc(C[NH2+]Cc2ccc(C)cc2)cc1Cl ZINC000020928526 182254483 /nfs/dbraw/zinc/25/44/83/182254483.db2.gz DUOXLPRNIVZYGP-UHFFFAOYSA-N 1 0 310.224 4.600 10 0 DJAERO COc1c(Cl)cc(C[NH2+][C@@H](C)c2ccccc2)cc1Cl ZINC000020928278 182254566 /nfs/dbraw/zinc/25/45/66/182254566.db2.gz NTWJJYFYMOWMPJ-NSHDSACASA-N 1 0 310.224 4.853 10 0 DJAERO Cc1ccc(COc2ccccc2C[NH2+]Cc2cccs2)cc1 ZINC000020873606 182251002 /nfs/dbraw/zinc/25/10/02/182251002.db2.gz YWPIBKHOZZGTLF-UHFFFAOYSA-N 1 0 323.461 4.925 10 0 DJAERO CCn1cc(C[NH2+][C@@H](C)CCc2ccccc2)c2ccccc21 ZINC000020935335 182255293 /nfs/dbraw/zinc/25/52/93/182255293.db2.gz PBBLBUDZWPANKJ-KRWDZBQOSA-N 1 0 306.453 4.772 10 0 DJAERO C[NH+](C)CCCn1c2cc(Cl)ccc2nc1C1CCCCC1 ZINC000040404226 183062152 /nfs/dbraw/zinc/06/21/52/183062152.db2.gz XCAWLTDVEPOJPE-UHFFFAOYSA-N 1 0 319.880 4.689 10 0 DJAERO CCOC(=O)c1ccc(Nc2cc[nH+]c3c(C)cc(C)cc23)cc1 ZINC000041054918 183159125 /nfs/dbraw/zinc/15/91/25/183159125.db2.gz XYBSQNVKPPPAHX-UHFFFAOYSA-N 1 0 320.392 4.772 10 0 DJAERO CCOC(=O)c1cccc(Nc2cc[nH+]c3c(C)c(C)ccc23)c1 ZINC000041055395 183160437 /nfs/dbraw/zinc/16/04/37/183160437.db2.gz JFEPWXNLFSTCPA-UHFFFAOYSA-N 1 0 320.392 4.772 10 0 DJAERO CC(C)c1ccc(C[C@H](C[NH3+])Cc2ccc(Cl)cc2)cc1 ZINC000041514781 183195955 /nfs/dbraw/zinc/19/59/55/183195955.db2.gz ACJGJUYUGGKKPL-KRWDZBQOSA-N 1 0 301.861 4.824 10 0 DJAERO C[C@@H]([NH2+]CCc1ccsc1)c1ccc(Cl)c(Cl)c1 ZINC000042599739 183289544 /nfs/dbraw/zinc/28/95/44/183289544.db2.gz MQBGCKADAGVNTB-SNVBAGLBSA-N 1 0 300.254 4.948 10 0 DJAERO C[C@@H]([NH3+])[C@H](Sc1ccccc1)c1ccc(Br)cc1 ZINC000042958617 183323529 /nfs/dbraw/zinc/32/35/29/183323529.db2.gz CFNOXIZWLXKIOU-ABAIWWIYSA-N 1 0 322.271 4.630 10 0 DJAERO Cc1cccc(S[C@H](C[NH3+])c2cccc(Br)c2)c1 ZINC000043025198 183331486 /nfs/dbraw/zinc/33/14/86/183331486.db2.gz XGGKXBOHKVSMRU-OAHLLOKOSA-N 1 0 322.271 4.550 10 0 DJAERO Cc1cccc(S[C@H](C[NH3+])c2ccccc2Br)c1 ZINC000043096438 183337295 /nfs/dbraw/zinc/33/72/95/183337295.db2.gz KACFYCFQTWWJEN-OAHLLOKOSA-N 1 0 322.271 4.550 10 0 DJAERO C[C@@H]([NH3+])[C@@H](Sc1ccccc1)c1ccccc1Br ZINC000043095676 183337435 /nfs/dbraw/zinc/33/74/35/183337435.db2.gz GHZFXVQLLCEDNI-IAQYHMDHSA-N 1 0 322.271 4.630 10 0 DJAERO CC[C@@H]([NH3+])[C@H](S[C@@H](C)CC)c1ccccc1Br ZINC000043096060 183337464 /nfs/dbraw/zinc/33/74/64/183337464.db2.gz ABZZYWYHKQXDCL-ZLKJLUDKSA-N 1 0 316.308 4.759 10 0 DJAERO Cc1ccc(S[C@@H](C[NH3+])c2ccccc2Br)cc1 ZINC000043095755 183337614 /nfs/dbraw/zinc/33/76/14/183337614.db2.gz KIALTZANZOMKPH-HNNXBMFYSA-N 1 0 322.271 4.550 10 0 DJAERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(Cl)c1Cl)c1cccs1 ZINC000043110160 183337973 /nfs/dbraw/zinc/33/79/73/183337973.db2.gz DXMOWYQWVQSJQD-QMTHXVAHSA-N 1 0 316.253 4.912 10 0 DJAERO C[C@@H]([NH3+])[C@@H](Sc1nc2ccccc2s1)c1cccs1 ZINC000043112346 183338011 /nfs/dbraw/zinc/33/80/11/183338011.db2.gz LSERFOBBLUEPJU-NOZJJQNGSA-N 1 0 306.481 4.538 10 0 DJAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1Cl)c1cccs1 ZINC000043108648 183338034 /nfs/dbraw/zinc/33/80/34/183338034.db2.gz WTAWZBLGIFTMAH-BXUZGUMPSA-N 1 0 316.253 4.912 10 0 DJAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1Cl)c1cccs1 ZINC000043108644 183338137 /nfs/dbraw/zinc/33/81/37/183338137.db2.gz WTAWZBLGIFTMAH-SMDDNHRTSA-N 1 0 316.253 4.912 10 0 DJAERO [NH3+]C[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1Cl ZINC000043087960 183334932 /nfs/dbraw/zinc/33/49/32/183334932.db2.gz LWTWWWDXGKWNAN-ZDUSSCGKSA-N 1 0 316.615 4.726 10 0 DJAERO [NH3+]C[C@@H](Oc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000043087173 183335265 /nfs/dbraw/zinc/33/52/65/183335265.db2.gz HWFIAWIYCCRGJP-CQSZACIVSA-N 1 0 316.615 4.726 10 0 DJAERO CC[NH2+]Cc1c2cc(Cl)ccc2n(C)c1-c1cccs1 ZINC000049453987 183732082 /nfs/dbraw/zinc/73/20/82/183732082.db2.gz QLJDJMNNIBMXSD-UHFFFAOYSA-N 1 0 304.846 4.670 10 0 DJAERO CC(C)[NH2+]CC1(Cc2ccc(Br)s2)CCCC1 ZINC000054655691 183947672 /nfs/dbraw/zinc/94/76/72/183947672.db2.gz ODMXVAHJNOFNRU-UHFFFAOYSA-N 1 0 316.308 4.612 10 0 DJAERO CCN(c1ccccc1)c1ccc([C@@H](C)[NH3+])cc1Br ZINC000061694350 184183300 /nfs/dbraw/zinc/18/33/00/184183300.db2.gz FNTZLTSLDGJLQX-GFCCVEGCSA-N 1 0 319.246 4.627 10 0 DJAERO CCC[NH2+][C@@H](C)c1ccc(OC(C)(C)C)c(Br)c1 ZINC000061699241 184183721 /nfs/dbraw/zinc/18/37/21/184183721.db2.gz RIFBBNYEHWTFPM-NSHDSACASA-N 1 0 314.267 4.687 10 0 DJAERO C[C@@H]([NH3+])c1ccc(Oc2ccc(F)cc2Cl)c(Cl)c1 ZINC000061699482 184183780 /nfs/dbraw/zinc/18/37/80/184183780.db2.gz RCECAOIQQCCAOZ-MRVPVSSYSA-N 1 0 300.160 4.945 10 0 DJAERO NC(=[NH2+])c1ccc(Cl)cc1Oc1ccc(Cl)cc1Cl ZINC000062789061 184252920 /nfs/dbraw/zinc/25/29/20/184252920.db2.gz LYAIFEOJHRUVFF-UHFFFAOYSA-N 1 0 315.587 4.723 10 0 DJAERO CCCn1ccc(C[NH2+][C@H](C)c2ccccc2Br)c1 ZINC000091010464 332058671 /nfs/dbraw/zinc/05/86/71/332058671.db2.gz XJJQDKLZASWXPO-CYBMUJFWSA-N 1 0 321.262 4.511 10 0 DJAERO Cc1cncc(C[NH2+][C@@H](c2ccccc2)c2ccccc2C)c1 ZINC000181028979 332173326 /nfs/dbraw/zinc/17/33/26/332173326.db2.gz PIRIRDKAFOSERC-NRFANRHFSA-N 1 0 302.421 4.578 10 0 DJAERO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000151719234 332606664 /nfs/dbraw/zinc/60/66/64/332606664.db2.gz ZWYSDJBVCCUITD-IAGOWNOFSA-N 1 0 305.425 4.593 10 0 DJAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)CC2 ZINC000092835475 332693662 /nfs/dbraw/zinc/69/36/62/332693662.db2.gz KCOUHACJNIAFNA-KPZWWZAWSA-N 1 0 301.817 4.687 10 0 DJAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)CC2 ZINC000092835901 332694808 /nfs/dbraw/zinc/69/48/08/332694808.db2.gz CEQFJOIRXMKWSL-HZMBPMFUSA-N 1 0 307.846 4.748 10 0 DJAERO COc1ccsc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000186124295 333217429 /nfs/dbraw/zinc/21/74/29/333217429.db2.gz IUUSAVUSDBYHIC-NXEZZACHSA-N 1 0 313.825 4.961 10 0 DJAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(Br)ccc32)o1 ZINC000040227002 333341579 /nfs/dbraw/zinc/34/15/79/333341579.db2.gz ZQGYNBMAULFTIR-XHDPSFHLSA-N 1 0 320.230 4.689 10 0 DJAERO Cc1ccc2cc(C[NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)ccc2n1 ZINC000187640079 334266487 /nfs/dbraw/zinc/26/64/87/334266487.db2.gz RGXVCUXFLSDQOJ-CVEARBPZSA-N 1 0 322.374 4.754 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)cc1 ZINC000164987889 334691787 /nfs/dbraw/zinc/69/17/87/334691787.db2.gz SKBHENFZWUGQSU-DYESRHJHSA-N 1 0 302.421 4.830 10 0 DJAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000192792721 336261983 /nfs/dbraw/zinc/26/19/83/336261983.db2.gz UTPCFBIEFKPJQX-WBMJQRKESA-N 1 0 321.342 4.880 10 0 DJAERO COc1cccc2cc([C@H](C)[NH2+][C@H]3CCOc4ccccc43)oc21 ZINC000192793519 336262017 /nfs/dbraw/zinc/26/20/17/336262017.db2.gz XKKQHTXKVPEXJO-BBRMVZONSA-N 1 0 323.392 4.616 10 0 DJAERO Cc1cc(NC[C@H]2CCO[C@H]2c2ccccc2)c2ccccc2[nH+]1 ZINC000301426025 336305909 /nfs/dbraw/zinc/30/59/09/336305909.db2.gz PBCBMBMVNZQUPH-UTKZUKDTSA-N 1 0 318.420 4.733 10 0 DJAERO Fc1ccc2c(NC[C@@H]3CCO[C@@H]3c3ccccc3)cc[nH+]c2c1 ZINC000301444592 336307138 /nfs/dbraw/zinc/30/71/38/336307138.db2.gz VEMPQUGBUSEVOO-MGPUTAFESA-N 1 0 322.383 4.564 10 0 DJAERO Cc1cccc2c(N[C@@H]3CCO[C@@H](c4ccccc4)C3)cc[nH+]c12 ZINC000302165585 336351927 /nfs/dbraw/zinc/35/19/27/336351927.db2.gz JEEMVGHHJIPYFR-YLJYHZDGSA-N 1 0 318.420 4.875 10 0 DJAERO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2Br)cc1C ZINC000034992214 336384889 /nfs/dbraw/zinc/38/48/89/336384889.db2.gz CRRFCPBPJYDDJD-AWEZNQCLSA-N 1 0 318.258 4.917 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc(Br)cc32)o1 ZINC000193159006 336619604 /nfs/dbraw/zinc/61/96/04/336619604.db2.gz ZOJWTCTWHIKCBF-ABAIWWIYSA-N 1 0 320.230 4.689 10 0 DJAERO Cc1cccc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)c1 ZINC000178614416 337165663 /nfs/dbraw/zinc/16/56/63/337165663.db2.gz KGKYYNGCTMJCQO-UWJYYQICSA-N 1 0 302.421 4.830 10 0 DJAERO Cc1csc([C@@H]2CCC[N@H+](Cc3ccc(C(F)F)cc3)C2)n1 ZINC000183932916 337195688 /nfs/dbraw/zinc/19/56/88/337195688.db2.gz CXIOVRXYKKLBCI-OAHLLOKOSA-N 1 0 322.424 4.769 10 0 DJAERO c1ccc2c(c1)Sc1ccccc1C2=C1C[NH+]2CCC1CC2 ZINC000584616650 337372973 /nfs/dbraw/zinc/37/29/73/337372973.db2.gz PVYBDNPBSKIARB-UHFFFAOYSA-N 1 0 305.446 4.679 10 0 DJAERO Fc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[C@@H](C(F)(F)F)C3)cc1 ZINC000584624949 337375373 /nfs/dbraw/zinc/37/53/73/337375373.db2.gz RPLIZPPYRXCFMZ-GDBMZVCRSA-N 1 0 315.354 4.770 10 0 DJAERO CC/C=C/CC[N@@H+]1CC[C@@](CC(C)C)(c2cccc(O)c2)C1 ZINC000584650281 337380748 /nfs/dbraw/zinc/38/07/48/337380748.db2.gz ZAQXAGSXLGVQFY-XJDXJNMNSA-N 1 0 301.474 4.738 10 0 DJAERO COc1cccc([C@]2(CC(C)C)CC[N@H+](CCC(C)C)C2)c1 ZINC000584650488 337380821 /nfs/dbraw/zinc/38/08/21/337380821.db2.gz NANZNIIPYSMTIA-FQEVSTJZSA-N 1 0 303.490 4.731 10 0 DJAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000246354224 337538513 /nfs/dbraw/zinc/53/85/13/337538513.db2.gz HYBYOENRZBTKTC-IPELMVKDSA-N 1 0 319.514 4.515 10 0 DJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2C)cc1 ZINC000121574160 337895604 /nfs/dbraw/zinc/89/56/04/337895604.db2.gz GVNYQPCRIJCDLS-GJZGRUSLSA-N 1 0 307.441 4.548 10 0 DJAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000467441994 339238962 /nfs/dbraw/zinc/23/89/62/339238962.db2.gz JTNOTFUBEBSSQB-UTUOFQBUSA-N 1 0 316.272 4.848 10 0 DJAERO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000186096770 340508201 /nfs/dbraw/zinc/50/82/01/340508201.db2.gz ZEORTPCYZGPZET-DTWKUNHWSA-N 1 0 301.864 4.883 10 0 DJAERO FC(F)(F)[C@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000222431779 340536619 /nfs/dbraw/zinc/53/66/19/340536619.db2.gz CFISTRYSGRCBAU-FIQHERPVSA-N 1 0 317.317 4.818 10 0 DJAERO COCCCCC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000222980656 340542663 /nfs/dbraw/zinc/54/26/63/340542663.db2.gz CDWAJMDTCLHAQI-SNVBAGLBSA-N 1 0 308.224 4.600 10 0 DJAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)cc1 ZINC000191110694 340550168 /nfs/dbraw/zinc/55/01/68/340550168.db2.gz BUVWJTQYKJWYNF-HUUCEWRRSA-N 1 0 313.489 4.921 10 0 DJAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1cc(Br)cs1 ZINC000226391779 340584456 /nfs/dbraw/zinc/58/44/56/340584456.db2.gz MJSKNZPMBVTYDR-HZMBPMFUSA-N 1 0 322.271 4.849 10 0 DJAERO Cc1cc(C[NH2+][C@H](C)c2ccccc2Br)cs1 ZINC000328408211 340785198 /nfs/dbraw/zinc/78/51/98/340785198.db2.gz FXTSXJQRYRTYQA-LLVKDONJSA-N 1 0 310.260 4.670 10 0 DJAERO CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000130724411 341039875 /nfs/dbraw/zinc/03/98/75/341039875.db2.gz BNSBLDQOZZUNCH-DLOVCJGASA-N 1 0 320.424 4.786 10 0 DJAERO CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000130723989 341039978 /nfs/dbraw/zinc/03/99/78/341039978.db2.gz BNSBLDQOZZUNCH-ZMLRMANQSA-N 1 0 320.424 4.786 10 0 DJAERO CC[C@H](CSC)[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000246084189 341324481 /nfs/dbraw/zinc/32/44/81/341324481.db2.gz VRKHGFAYOYCWNQ-YNEHKIRRSA-N 1 0 308.516 4.520 10 0 DJAERO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000247200222 341362217 /nfs/dbraw/zinc/36/22/17/341362217.db2.gz UZRNOUIYJXUOSL-IHRRRGAJSA-N 1 0 320.502 4.582 10 0 DJAERO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cnn1C(C)C ZINC000248684904 341384368 /nfs/dbraw/zinc/38/43/68/341384368.db2.gz GFQIWOFGJMDEEV-IACUBPJLSA-N 1 0 317.399 4.544 10 0 DJAERO COc1ccsc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000186124242 518170826 /nfs/dbraw/zinc/17/08/26/518170826.db2.gz IUUSAVUSDBYHIC-UWVGGRQHSA-N 1 0 313.825 4.961 10 0 DJAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)c3ccccc32)cc1 ZINC000182165529 519733804 /nfs/dbraw/zinc/73/38/04/519733804.db2.gz NWGRTAQVHJAYLS-GXZWQRSESA-N 1 0 322.452 4.934 10 0 DJAERO CC[C@H]([NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccncc1 ZINC000163793969 522710478 /nfs/dbraw/zinc/71/04/78/522710478.db2.gz HJKYEHWSIQDYSL-RBUKOAKNSA-N 1 0 322.452 4.959 10 0 DJAERO C[C@H]1C[C@@H]([NH2+][C@H]2CCOc3ccccc32)c2ccsc2S1 ZINC000130217272 524811348 /nfs/dbraw/zinc/81/13/48/524811348.db2.gz BEXRENVWKVHZSD-TUKIKUTGSA-N 1 0 317.479 4.787 10 0 DJAERO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)cnn1C(C)(C)C ZINC000191104539 525921771 /nfs/dbraw/zinc/92/17/71/525921771.db2.gz ZSZVMJYYSAOWKY-RYUDHWBXSA-N 1 0 321.415 4.637 10 0 DJAERO CC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000033454436 563770152 /nfs/dbraw/zinc/77/01/52/563770152.db2.gz NWYHZVVZKBXCAL-UHFFFAOYSA-N 1 0 310.224 4.682 10 0 DJAERO CCOc1c(C[NH2+]CCC2=CCCCC2)cc(Cl)cc1OC ZINC000013724004 563387258 /nfs/dbraw/zinc/38/72/58/563387258.db2.gz UNQXMYSPKDAYJR-UHFFFAOYSA-N 1 0 323.864 4.727 10 0 DJAERO CC(C)[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000037702299 563416399 /nfs/dbraw/zinc/41/63/99/563416399.db2.gz VMSQPYINEQWEIX-UHFFFAOYSA-N 1 0 307.796 4.556 10 0 DJAERO CCCc1nc(-c2ccccc2Cl)sc1C[NH2+]C(C)C ZINC000082432086 185181727 /nfs/dbraw/zinc/18/17/27/185181727.db2.gz IRJMJKVPDBODPY-UHFFFAOYSA-N 1 0 308.878 4.914 10 0 DJAERO CC(C)c1nc(-c2ccc(Cl)c(Cl)c2)sc1C[NH3+] ZINC000082431277 185181925 /nfs/dbraw/zinc/18/19/25/185181925.db2.gz JREZNFWAWFRWHZ-UHFFFAOYSA-N 1 0 301.242 4.699 10 0 DJAERO CCC[NH2+]Cc1sc(Cc2ccccc2)nc1C(C)(C)C ZINC000082438850 185182533 /nfs/dbraw/zinc/18/25/33/185182533.db2.gz CBVGDPWNOUPWDB-UHFFFAOYSA-N 1 0 302.487 4.531 10 0 DJAERO Cc1ccc(-c2nc(C(C)(C)C)c(C[NH2+]C3CC3)s2)cc1 ZINC000082439089 185182877 /nfs/dbraw/zinc/18/28/77/185182877.db2.gz HPOMNSUZHYZOJM-UHFFFAOYSA-N 1 0 300.471 4.668 10 0 DJAERO CCC[NH2+]Cc1sc(CSC(C)C)nc1C(C)(C)C ZINC000082439727 185182968 /nfs/dbraw/zinc/18/29/68/185182968.db2.gz BEAPAVLIDPDFBL-UHFFFAOYSA-N 1 0 300.537 4.582 10 0 DJAERO CC[NH2+]CCC[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl ZINC000052649302 190683199 /nfs/dbraw/zinc/68/31/99/190683199.db2.gz JPIMTKUJWMRHAV-VIFPVBQESA-N 1 0 310.652 4.804 10 0 DJAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(Br)s1 ZINC000216407924 201491920 /nfs/dbraw/zinc/49/19/20/201491920.db2.gz BSMAGZYENHTDGL-HBNTYKKESA-N 1 0 302.281 4.740 10 0 DJAERO [NH3+][C@@H](c1ccc(Br)cc1)c1ccc2ccccc2c1 ZINC000019470117 182124522 /nfs/dbraw/zinc/12/45/22/182124522.db2.gz UOZQBALSVDQAQU-KRWDZBQOSA-N 1 0 312.210 4.650 10 0 DJAERO Cc1cc(O[C@H](C[NH3+])c2ccc(Cl)cc2)cc(C)c1Cl ZINC000019671168 182135216 /nfs/dbraw/zinc/13/52/16/182135216.db2.gz QIWMYBADZLLAGC-OAHLLOKOSA-N 1 0 310.224 4.689 10 0 DJAERO Cc1cc(O[C@@H](C[NH3+])c2cccc(Cl)c2)cc(C)c1Cl ZINC000019671382 182134930 /nfs/dbraw/zinc/13/49/30/182134930.db2.gz WKZPDVFLQBFSGI-HNNXBMFYSA-N 1 0 310.224 4.689 10 0 DJAERO CC[C@@H](c1ccccc1)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000019804126 182151829 /nfs/dbraw/zinc/15/18/29/182151829.db2.gz OVTLTVBSARPUSU-JKSUJKDBSA-N 1 0 304.231 4.643 10 0 DJAERO CC[C@H](c1ccccc1)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000019804125 182151859 /nfs/dbraw/zinc/15/18/59/182151859.db2.gz OVTLTVBSARPUSU-HZPDHXFCSA-N 1 0 304.231 4.643 10 0 DJAERO CC[C@H]([NH2+]Cc1ccccc1F)c1ccc(Br)cc1 ZINC000019950250 182169620 /nfs/dbraw/zinc/16/96/20/182169620.db2.gz XOEGTIDFUSLKBQ-INIZCTEOSA-N 1 0 322.221 4.829 10 0 DJAERO C[C@H]([NH3+])c1c(F)cccc1Oc1cc(Cl)ccc1Cl ZINC000019995632 182175560 /nfs/dbraw/zinc/17/55/60/182175560.db2.gz MZZFOCVATNPPTE-QMMMGPOBSA-N 1 0 300.160 4.945 10 0 DJAERO CC(C)[NH+](CCN[C@H](C)c1ccc(Cl)cc1Cl)C(C)C ZINC000020007691 182177329 /nfs/dbraw/zinc/17/73/29/182177329.db2.gz SAPZCNITTKJQCO-CYBMUJFWSA-N 1 0 317.304 4.763 10 0 DJAERO CCC(CC)[NH2+][C@H](c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000020012266 182178088 /nfs/dbraw/zinc/17/80/88/182178088.db2.gz HVSRCEXEBDJQGQ-SFHVURJKSA-N 1 0 303.833 4.913 10 0 DJAERO COc1ccc(CC[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000020013760 182178119 /nfs/dbraw/zinc/17/81/19/182178119.db2.gz PPVGSIGNJXSJNI-GFCCVEGCSA-N 1 0 324.251 4.895 10 0 DJAERO C[C@H]([NH2+]Cc1ccc(SC(F)(F)F)cc1)c1ccncc1 ZINC000020022854 182179902 /nfs/dbraw/zinc/17/99/02/182179902.db2.gz NSWUNBJRKGLANA-NSHDSACASA-N 1 0 312.360 4.544 10 0 DJAERO Cc1ccc(Oc2ccc(F)cc2[C@H](C)[NH3+])c(Br)c1 ZINC000020077947 182185014 /nfs/dbraw/zinc/18/50/14/182185014.db2.gz MHWOCHRMUHJOMH-JTQLQIEISA-N 1 0 324.193 4.709 10 0 DJAERO Brc1csc(C[NH2+]C2CCCCCCC2)c1 ZINC000020306035 182205091 /nfs/dbraw/zinc/20/50/91/182205091.db2.gz GDEDFUVPFAEJMS-UHFFFAOYSA-N 1 0 302.281 4.713 10 0 DJAERO Cc1ccc([C@H]([NH3+])c2cc3cc(Br)ccc3o2)cc1 ZINC000020389743 182213635 /nfs/dbraw/zinc/21/36/35/182213635.db2.gz PGXCSAKQYGBBIK-INIZCTEOSA-N 1 0 316.198 4.552 10 0 DJAERO COc1ccc([C@H]([NH3+])c2cc(Cl)ccc2Cl)cc1Cl ZINC000020521969 182226327 /nfs/dbraw/zinc/22/63/27/182226327.db2.gz NKXZSHHPSAHUAT-AWEZNQCLSA-N 1 0 316.615 4.704 10 0 DJAERO CC(C)Oc1ccc([C@@H](C)[NH2+]CCc2ccccc2)cc1F ZINC000020549967 182230275 /nfs/dbraw/zinc/23/02/75/182230275.db2.gz SPTITEOTMREVFC-OAHLLOKOSA-N 1 0 301.405 4.506 10 0 DJAERO [NH3+][C@@H](c1csc2ccccc21)c1ccccc1Br ZINC000020596386 182236546 /nfs/dbraw/zinc/23/65/46/182236546.db2.gz IDVBMMJUZYZJOL-OAHLLOKOSA-N 1 0 318.239 4.712 10 0 DJAERO CCCOc1c(Cl)cc(C[NH2+]C2CCCC2)cc1Cl ZINC000020926278 182254342 /nfs/dbraw/zinc/25/43/42/182254342.db2.gz PBOPZPVZCIWADJ-UHFFFAOYSA-N 1 0 302.245 4.814 10 0 DJAERO CCCOc1ccc(C[NH2+]CCc2ccccc2F)cc1Cl ZINC000020925571 182254439 /nfs/dbraw/zinc/25/44/39/182254439.db2.gz ZLBFAHPVSALZHE-UHFFFAOYSA-N 1 0 321.823 4.600 10 0 DJAERO CCCOc1ccc(Cl)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000020928890 182254587 /nfs/dbraw/zinc/25/45/87/182254587.db2.gz IXFUNRDWWVSWAC-UHFFFAOYSA-N 1 0 321.823 4.600 10 0 DJAERO CCCOc1ccc(Cl)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000020928901 182254593 /nfs/dbraw/zinc/25/45/93/182254593.db2.gz VZIGFIWLZCDBOJ-UHFFFAOYSA-N 1 0 307.796 4.558 10 0 DJAERO CC[C@H](C)[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000020875923 182251435 /nfs/dbraw/zinc/25/14/35/182251435.db2.gz DSPHUHHXBKNILC-LBPRGKRZSA-N 1 0 322.246 4.906 10 0 DJAERO CCCc1ccc([C@H]([NH3+])c2cc(F)ccc2Br)cc1 ZINC000021028732 182262119 /nfs/dbraw/zinc/26/21/19/182262119.db2.gz UCDYQZKJHVQBJY-INIZCTEOSA-N 1 0 322.221 4.589 10 0 DJAERO C[C@H]([NH3+])c1c(F)cccc1Oc1cccc(Cl)c1Cl ZINC000021799596 182290486 /nfs/dbraw/zinc/29/04/86/182290486.db2.gz TXTAERKEJQCNJX-QMMMGPOBSA-N 1 0 300.160 4.945 10 0 DJAERO CC(C)Cc1ccc([C@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000021815082 182293134 /nfs/dbraw/zinc/29/31/34/182293134.db2.gz QBBYWCKLTKNBAE-KRWDZBQOSA-N 1 0 318.258 4.696 10 0 DJAERO Clc1ccc(CC[NH2+]Cc2c[nH]c3ccccc23)c(Cl)c1 ZINC000023633997 182364796 /nfs/dbraw/zinc/36/47/96/182364796.db2.gz XOBALXVNSUVIIJ-UHFFFAOYSA-N 1 0 319.235 4.807 10 0 DJAERO CC(C)[C@H]([NH3+])c1ccc(-c2cccc(Br)c2)s1 ZINC000036927851 182853046 /nfs/dbraw/zinc/85/30/46/182853046.db2.gz VBMHKCHLFXRKJJ-AWEZNQCLSA-N 1 0 310.260 4.833 10 0 DJAERO C[C@H]([NH2+]CCc1ccco1)c1cc(F)c(Cl)cc1Cl ZINC000037259063 182876279 /nfs/dbraw/zinc/87/62/79/182876279.db2.gz DDQLOVLXDMJJSJ-VIFPVBQESA-N 1 0 302.176 4.619 10 0 DJAERO CC(C)(C)[C@@H]1CCCC[C@@]1([NH3+])Cc1cccc(Br)c1 ZINC000037530778 182904488 /nfs/dbraw/zinc/90/44/88/182904488.db2.gz PVOADSLLHQHSKZ-DOTOQJQBSA-N 1 0 324.306 4.925 10 0 DJAERO CCC[NH2+][C@@H](Cc1cccc(Br)c1)C1CCCCC1 ZINC000037535901 182904941 /nfs/dbraw/zinc/90/49/41/182904941.db2.gz UYXJACYWTZMKHE-KRWDZBQOSA-N 1 0 324.306 4.940 10 0 DJAERO Clc1ccc(COc2cccc(C[NH2+]C3CC3)c2)cc1Cl ZINC000040738867 183127085 /nfs/dbraw/zinc/12/70/85/183127085.db2.gz FYEGWIYFWBVVDA-UHFFFAOYSA-N 1 0 322.235 4.824 10 0 DJAERO COc1ccc(Nc2cc[nH+]c3c(C)cc(C)cc23)cc1OC ZINC000041054943 183158997 /nfs/dbraw/zinc/15/89/97/183158997.db2.gz MUIGBHCCZMNSHQ-UHFFFAOYSA-N 1 0 308.381 4.612 10 0 DJAERO Cc1ccc2[nH+]ccc(Nc3ccc(C(=O)OC(C)C)cc3)c2c1 ZINC000041054818 183159501 /nfs/dbraw/zinc/15/95/01/183159501.db2.gz YFPWOYDDDZZYAN-UHFFFAOYSA-N 1 0 320.392 4.852 10 0 DJAERO Cc1cc(C)c(C[C@@H](C[NH3+])Cc2cccc(Cl)c2)c(C)c1 ZINC000041514796 183196110 /nfs/dbraw/zinc/19/61/10/183196110.db2.gz AMIIRFDXKZUEFA-KRWDZBQOSA-N 1 0 301.861 4.625 10 0 DJAERO Cc1ccccc1C[C@@H](C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000041541347 183201449 /nfs/dbraw/zinc/20/14/49/183201449.db2.gz MJJRPNNULYUCPE-CYBMUJFWSA-N 1 0 308.252 4.662 10 0 DJAERO Cc1ccccc1C[C@H](C[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000041541354 183201491 /nfs/dbraw/zinc/20/14/91/183201491.db2.gz PJDWAPSJSORYNM-CQSZACIVSA-N 1 0 308.252 4.662 10 0 DJAERO Clc1cccc(OCCC[NH2+]C2CCCCC2)c1Cl ZINC000041515132 183195694 /nfs/dbraw/zinc/19/56/94/183195694.db2.gz KJXDKOSROVOKDT-UHFFFAOYSA-N 1 0 302.245 4.685 10 0 DJAERO CC(C)c1ccc(C[C@@H](C[NH3+])Cc2ccc(Cl)cc2)cc1 ZINC000041514784 183195875 /nfs/dbraw/zinc/19/58/75/183195875.db2.gz ACJGJUYUGGKKPL-QGZVFWFLSA-N 1 0 301.861 4.824 10 0 DJAERO CC[C@H](C)[C@@H](C)[NH2+]C1CC(c2ccccc2Br)C1 ZINC000042553593 183283981 /nfs/dbraw/zinc/28/39/81/183283981.db2.gz WNIPJIBOWXNIMW-MRFVTOPCSA-N 1 0 310.279 4.719 10 0 DJAERO CC[C@@H](C)[C@H](C)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000042553548 183284346 /nfs/dbraw/zinc/28/43/46/183284346.db2.gz ZWVVBGKJHISISO-SOURHHEESA-N 1 0 310.279 4.719 10 0 DJAERO CC[C@H]([NH3+])[C@H](Sc1nc(C)cs1)c1ccc(Cl)cc1 ZINC000042950524 183320293 /nfs/dbraw/zinc/32/02/93/183320293.db2.gz PIQBNODDBHVYIT-QWHCGFSZSA-N 1 0 312.891 4.676 10 0 DJAERO Cc1ccccc1S[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042959627 183323717 /nfs/dbraw/zinc/32/37/17/183323717.db2.gz UWBJQYUTDDEWER-OAHLLOKOSA-N 1 0 322.271 4.550 10 0 DJAERO [NH3+]C[C@H](Sc1cc(Cl)ccc1Cl)c1cccc(F)c1 ZINC000042974388 183325146 /nfs/dbraw/zinc/32/51/46/183325146.db2.gz KKLFPDHSMRBSII-AWEZNQCLSA-N 1 0 316.228 4.925 10 0 DJAERO [NH3+]C[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1F ZINC000043049163 183331778 /nfs/dbraw/zinc/33/17/78/183331778.db2.gz XVTSHNQNEDSBKS-CQSZACIVSA-N 1 0 316.228 4.925 10 0 DJAERO Cc1ccccc1[C@@H](C[NH3+])Sc1ccccc1Br ZINC000043041492 183331812 /nfs/dbraw/zinc/33/18/12/183331812.db2.gz HHUVWPCGLUJSRB-OAHLLOKOSA-N 1 0 322.271 4.550 10 0 DJAERO C[C@H]([NH3+])[C@@H](Sc1ccccc1)c1ccccc1Br ZINC000043095674 183337293 /nfs/dbraw/zinc/33/72/93/183337293.db2.gz GHZFXVQLLCEDNI-XHDPSFHLSA-N 1 0 322.271 4.630 10 0 DJAERO CC[C@@H]([NH3+])[C@H](SCC(C)C)c1ccccc1Br ZINC000043096177 183337387 /nfs/dbraw/zinc/33/73/87/183337387.db2.gz HTJUCHRDJPPOMM-ZIAGYGMSSA-N 1 0 316.308 4.617 10 0 DJAERO CC[C@H]([NH3+])[C@@H](Oc1cc(Cl)ccc1Cl)c1cccs1 ZINC000043107841 183338162 /nfs/dbraw/zinc/33/81/62/183338162.db2.gz LKWFACWZZIOHDZ-SMDDNHRTSA-N 1 0 316.253 4.912 10 0 DJAERO CCC[NH2+][C@@H](CCC)CCc1cc(Br)cs1 ZINC000043688041 183381034 /nfs/dbraw/zinc/38/10/34/183381034.db2.gz ZQECEFRYHOYCKG-LBPRGKRZSA-N 1 0 304.297 4.612 10 0 DJAERO CCc1ccc(C[C@@H]([NH2+]C)c2ccc(Br)cc2)s1 ZINC000053789314 183912529 /nfs/dbraw/zinc/91/25/29/183912529.db2.gz IMMARUNRHMWRCQ-OAHLLOKOSA-N 1 0 324.287 4.576 10 0 DJAERO C[NH2+][C@H](C)c1ccccc1C(F)(F)C(F)(F)c1ccccc1 ZINC000060222800 184145607 /nfs/dbraw/zinc/14/56/07/184145607.db2.gz WKEAIPHTQIYVTD-GFCCVEGCSA-N 1 0 311.322 4.851 10 0 DJAERO C[C@H]([NH3+])c1ccc(OC2CCCCCC2)c(Br)c1 ZINC000061699545 184183722 /nfs/dbraw/zinc/18/37/22/184183722.db2.gz JGVXXUGPQCGCFV-NSHDSACASA-N 1 0 312.251 4.570 10 0 DJAERO COc1cc2[nH+]ccc(Nc3ccc(C)cc3C)c2cc1OC ZINC000065005280 184308493 /nfs/dbraw/zinc/30/84/93/184308493.db2.gz UZUOBLGCEYANLZ-UHFFFAOYSA-N 1 0 308.381 4.612 10 0 DJAERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000035014890 331466162 /nfs/dbraw/zinc/46/61/62/331466162.db2.gz UQWGJLPRRAAQEH-LBPRGKRZSA-N 1 0 311.397 4.895 10 0 DJAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)CC2 ZINC000092835478 332693486 /nfs/dbraw/zinc/69/34/86/332693486.db2.gz KCOUHACJNIAFNA-XIKOKIGWSA-N 1 0 301.817 4.687 10 0 DJAERO C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc21)c1cccs1 ZINC000040226627 333341645 /nfs/dbraw/zinc/34/16/45/333341645.db2.gz BEJGSIHNPIZXDV-HZMBPMFUSA-N 1 0 322.271 4.849 10 0 DJAERO CC(C)Oc1cccc(C[NH2+][C@@H](C)c2cccc(Cl)c2)c1 ZINC000040640067 333532995 /nfs/dbraw/zinc/53/29/95/333532995.db2.gz JCXULQXXZBBZEG-AWEZNQCLSA-N 1 0 303.833 4.978 10 0 DJAERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2)cc1OC ZINC000194349214 338515804 /nfs/dbraw/zinc/51/58/04/338515804.db2.gz OSDRJWLBSGKQAJ-HZPDHXFCSA-N 1 0 313.441 4.732 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000192792674 336261936 /nfs/dbraw/zinc/26/19/36/336261936.db2.gz UTPCFBIEFKPJQX-BLLLJJGKSA-N 1 0 321.342 4.880 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000192793062 336261973 /nfs/dbraw/zinc/26/19/73/336261973.db2.gz AFQRLZYSOHJVMN-BLLLJJGKSA-N 1 0 321.342 4.880 10 0 DJAERO CCC[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(OC)cc1 ZINC000178272112 337161836 /nfs/dbraw/zinc/16/18/36/337161836.db2.gz VHVAAJLNTOQOKI-RTBURBONSA-N 1 0 311.425 4.650 10 0 DJAERO CSc1ccc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)cc1F ZINC000178273864 337161870 /nfs/dbraw/zinc/16/18/70/337161870.db2.gz FHYURMYHADJPOA-LRDDRELGSA-N 1 0 317.429 4.722 10 0 DJAERO CSc1ccc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)cc1F ZINC000178273841 337161891 /nfs/dbraw/zinc/16/18/91/337161891.db2.gz FHYURMYHADJPOA-BLLLJJGKSA-N 1 0 317.429 4.722 10 0 DJAERO CC[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(F)cc1F ZINC000178275369 337161969 /nfs/dbraw/zinc/16/19/69/337161969.db2.gz QVPQUQPIRLMPJG-IAGOWNOFSA-N 1 0 303.352 4.529 10 0 DJAERO CCC(CC)c1cc[n+](C[C@@H]2CCC3(CCCCC3)O2)cc1 ZINC000191698720 337300658 /nfs/dbraw/zinc/30/06/58/337300658.db2.gz IQMYGGQBUSCMIG-IBGZPJMESA-N 1 0 302.482 4.760 10 0 DJAERO C[NH+](C)CCC[C@@H]1c2ccccc2Oc2ccc(Cl)cc21 ZINC000584590574 337370421 /nfs/dbraw/zinc/37/04/21/337370421.db2.gz FGPRLGXSAALXHD-CQSZACIVSA-N 1 0 301.817 4.919 10 0 DJAERO COc1cc2c(cc1OCc1ccccc1)C[C@@H](C(C)(C)C)N=C2 ZINC000584606203 337371646 /nfs/dbraw/zinc/37/16/46/337371646.db2.gz NCUNTMKMPAEJOE-FQEVSTJZSA-N 1 0 323.436 4.664 10 0 DJAERO CC(C)([NH3+])[C@H](Cc1ccccc1)c1cccc(Br)c1 ZINC000584595911 337374091 /nfs/dbraw/zinc/37/40/91/337374091.db2.gz KXNGUYUIZQLIFJ-MRXNPFEDSA-N 1 0 318.258 4.513 10 0 DJAERO CCCC[C@@](C=C=C(C)C)(CC)C[NH2+][C@H]1CCCN(CC)C1 ZINC000584631757 337377071 /nfs/dbraw/zinc/37/70/71/337377071.db2.gz TUFCVMXDTROWFI-VQTJNVASSA-N 1 0 306.538 4.768 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(C(C)(C)C)s2)c(C)c1 ZINC000059181039 337888851 /nfs/dbraw/zinc/88/88/51/337888851.db2.gz DWAJBRYZRXSXSC-CQSZACIVSA-N 1 0 302.487 4.908 10 0 DJAERO FC(F)(F)C1CCC(C[NH2+]Cc2ccccc2Cl)CC1 ZINC000465068798 339167499 /nfs/dbraw/zinc/16/74/99/339167499.db2.gz XIRNVKANQZEOAT-UHFFFAOYSA-N 1 0 305.771 4.798 10 0 DJAERO C[C@H]([NH2+]C(C1CC1)C1CC1)[C@H](C)c1nc2ccccc2s1 ZINC000177777910 340443398 /nfs/dbraw/zinc/44/33/98/340443398.db2.gz FMHIUDAOZAKUIJ-RYUDHWBXSA-N 1 0 300.471 4.567 10 0 DJAERO Cc1ccsc1[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000178609874 340451009 /nfs/dbraw/zinc/45/10/09/340451009.db2.gz PTDRNOIIKNBOOV-QAPCUYQASA-N 1 0 308.450 4.892 10 0 DJAERO Cc1cncc([C@H](C)[NH2+][C@H](C)c2cccc(Br)c2)c1 ZINC000184266347 340491708 /nfs/dbraw/zinc/49/17/08/340491708.db2.gz FBZGXHCAYHNLQE-OLZOCXBDSA-N 1 0 319.246 4.564 10 0 DJAERO COc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000186100828 340508217 /nfs/dbraw/zinc/50/82/17/340508217.db2.gz BPWOKGSVRBCTOW-GARJFASQSA-N 1 0 307.381 4.528 10 0 DJAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)c(F)c1 ZINC000124415272 340798854 /nfs/dbraw/zinc/79/88/54/340798854.db2.gz ONUSSZMQBWKEJL-WDEREUQCSA-N 1 0 309.331 4.524 10 0 DJAERO COc1cccc([C@@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000128961943 340932010 /nfs/dbraw/zinc/93/20/10/340932010.db2.gz LQXUHTANSYZUKA-KDOFPFPSSA-N 1 0 311.425 4.648 10 0 DJAERO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)cc1F ZINC000071810662 341048691 /nfs/dbraw/zinc/04/86/91/341048691.db2.gz QEJFTXAFVIQRST-CQSZACIVSA-N 1 0 313.416 4.564 10 0 DJAERO Cc1nc(C)c([C@@H](C)[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)s1 ZINC000248408427 341376967 /nfs/dbraw/zinc/37/69/67/341376967.db2.gz FBVVALISWJFJPH-CJBNDPTMSA-N 1 0 300.471 4.652 10 0 DJAERO COc1ccsc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248623179 341381904 /nfs/dbraw/zinc/38/19/04/341381904.db2.gz BPWOKGSVRBCTOW-AXFHLTTASA-N 1 0 307.381 4.528 10 0 DJAERO CC1(C)C[C@@H]([NH2+][C@H]2CCCNc3ccccc32)c2ccccc2O1 ZINC000192960447 341900053 /nfs/dbraw/zinc/90/00/53/341900053.db2.gz ZPQRLLJGMRFCMI-RBUKOAKNSA-N 1 0 322.452 4.825 10 0 DJAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)c3ccccc32)cc1 ZINC000182165565 519733973 /nfs/dbraw/zinc/73/39/73/519733973.db2.gz NWGRTAQVHJAYLS-VFCRVFHLSA-N 1 0 322.452 4.934 10 0 DJAERO C[C@H]([NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)c1cccnc1 ZINC000158563901 525548289 /nfs/dbraw/zinc/54/82/89/525548289.db2.gz QXYYONPYMTUHHQ-MAUKXSAKSA-N 1 0 308.425 4.569 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1nc2ccc(Cl)cc2n1C ZINC000179972301 525616522 /nfs/dbraw/zinc/61/65/22/525616522.db2.gz ZIOTXBZVWLDNEK-WDEREUQCSA-N 1 0 319.861 4.700 10 0 DJAERO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)cnn1C(C)(C)C ZINC000191104555 525902043 /nfs/dbraw/zinc/90/20/43/525902043.db2.gz ZSZVMJYYSAOWKY-VXGBXAGGSA-N 1 0 321.415 4.637 10 0 DJAERO CC(C)CC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000013724157 563387547 /nfs/dbraw/zinc/38/75/47/563387547.db2.gz WIDFZYUUSFTZLF-UHFFFAOYSA-N 1 0 301.405 4.540 10 0 DJAERO Cc1c(C2CC[NH2+]CC2)c2ccccc2n1Cc1ccccc1C ZINC000097673665 563541190 /nfs/dbraw/zinc/54/11/90/563541190.db2.gz XNXFKNSVQFOSIU-UHFFFAOYSA-N 1 0 318.464 4.773 10 0 DJAERO Clc1ccc(CC[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000013720964 563662508 /nfs/dbraw/zinc/66/25/08/563662508.db2.gz NEFWBCMCGLLZCB-UHFFFAOYSA-N 1 0 314.643 4.979 10 0 DJAERO CCC(C)(C)[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000013724633 563663280 /nfs/dbraw/zinc/66/32/80/563663280.db2.gz JSEMAYZTKHZHDD-UHFFFAOYSA-N 1 0 313.441 4.552 10 0 DJAERO CCC[NH+](CCC)Cc1cccc(Cl)c1Br ZINC000669378422 563869456 /nfs/dbraw/zinc/86/94/56/563869456.db2.gz DWNGJEQVVWXTDB-UHFFFAOYSA-N 1 0 304.659 4.725 10 0 DJAERO Cc1ccc(C[N@H+](CCC(C)C)C[C@H](O)c2ccccc2)s1 ZINC000036101640 563893871 /nfs/dbraw/zinc/89/38/71/563893871.db2.gz UNHPBPXFWWRQLE-IBGZPJMESA-N 1 0 317.498 4.638 10 0 DJAERO CCc1nc(-c2ccccc2Cl)sc1C[NH2+]CC(C)C ZINC000082422842 185180508 /nfs/dbraw/zinc/18/05/08/185180508.db2.gz BZELCSMJXLKGGK-UHFFFAOYSA-N 1 0 308.878 4.772 10 0 DJAERO CCc1nc(-c2ccc(CC)cc2)sc1C[NH2+]CC(C)C ZINC000082424639 185180693 /nfs/dbraw/zinc/18/06/93/185180693.db2.gz ZYWJGXMBBDPXFO-UHFFFAOYSA-N 1 0 302.487 4.681 10 0 DJAERO CCC[NH2+]Cc1sc(-c2ccc(Cl)cc2)nc1CCC ZINC000082427078 185180971 /nfs/dbraw/zinc/18/09/71/185180971.db2.gz ZAVJKABBKSXBCP-UHFFFAOYSA-N 1 0 308.878 4.916 10 0 DJAERO CCc1ccc(-c2nc(C(C)C)c(C[NH2+]C(C)C)s2)cc1 ZINC000082431288 185181969 /nfs/dbraw/zinc/18/19/69/185181969.db2.gz XIXMALLIAUPZTM-UHFFFAOYSA-N 1 0 302.487 4.994 10 0 DJAERO Cc1ccccc1-c1nc(C(C)(C)C)c(C[NH2+]C(C)C)s1 ZINC000082438659 185182601 /nfs/dbraw/zinc/18/26/01/185182601.db2.gz PHVXTJZMPOJJJZ-UHFFFAOYSA-N 1 0 302.487 4.914 10 0 DJAERO Cc1cccc(-c2nc(C(C)(C)C)c(C[NH2+]C3CC3)s2)c1 ZINC000082439127 185182833 /nfs/dbraw/zinc/18/28/33/185182833.db2.gz KZLNSNVVUCLJDT-UHFFFAOYSA-N 1 0 300.471 4.668 10 0 DJAERO CC[NH2+]Cc1sc(-c2ccc(CC)cc2)nc1C(C)(C)C ZINC000082442947 185183299 /nfs/dbraw/zinc/18/32/99/185183299.db2.gz KKUBPZUJMICWEF-UHFFFAOYSA-N 1 0 302.487 4.780 10 0 DJAERO c1ccc(C2=[NH+]CCN2Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000103198320 185437991 /nfs/dbraw/zinc/43/79/91/185437991.db2.gz CXYLQOGESGVEFI-UHFFFAOYSA-N 1 0 312.416 4.616 10 0 DJAERO O=C(c1ccccc1)[C@@H](CCC[NH+]1CCCCC1)c1ccccc1 ZINC000003602169 181039091 /nfs/dbraw/zinc/03/90/91/181039091.db2.gz RNIBVRFWGZKRNH-NRFANRHFSA-N 1 0 321.464 4.919 10 0 DJAERO Nc1cccc(C2=[NH+]N(c3ccccc3)[C@H](c3ccccc3)C2)c1 ZINC000005331931 181230341 /nfs/dbraw/zinc/23/03/41/181230341.db2.gz DFVZMWMOHWPXCT-NRFANRHFSA-N 1 0 313.404 4.625 10 0 DJAERO CC[C@@H](CO)[n+]1c(C)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000005337063 181231048 /nfs/dbraw/zinc/23/10/48/181231048.db2.gz CMNVEPYVGFIWPC-NRFANRHFSA-N 1 0 318.440 4.560 10 0 DJAERO CCCCC[C@@H]1CCCC[N@@H+]1CCCOC(=O)c1ccccc1 ZINC000005513290 181251914 /nfs/dbraw/zinc/25/19/14/181251914.db2.gz SRZOHCZNOHUVHY-LJQANCHMSA-N 1 0 317.473 4.668 10 0 DJAERO CCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010474010 181672354 /nfs/dbraw/zinc/67/23/54/181672354.db2.gz ZNFMGMHTZUKGCW-UHFFFAOYSA-N 1 0 303.833 4.809 10 0 DJAERO CC[C@@H](c1ccccc1)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000019804124 182151420 /nfs/dbraw/zinc/15/14/20/182151420.db2.gz OVTLTVBSARPUSU-HOTGVXAUSA-N 1 0 304.231 4.643 10 0 DJAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])CC(C)(C)C ZINC000019967887 182171359 /nfs/dbraw/zinc/17/13/59/182171359.db2.gz SRPFTKHKKAPUJH-LLVKDONJSA-N 1 0 320.658 4.547 10 0 DJAERO CC[C@@H](C)[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019971877 182171999 /nfs/dbraw/zinc/17/19/99/182171999.db2.gz CFLHOMIZMFNMOA-RDDDGLTNSA-N 1 0 310.157 4.514 10 0 DJAERO CCCC[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019971883 182172467 /nfs/dbraw/zinc/17/24/67/182172467.db2.gz UWYDCHGROSNZJX-LLVKDONJSA-N 1 0 310.157 4.658 10 0 DJAERO CCC(CC)[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019987774 182174582 /nfs/dbraw/zinc/17/45/82/182174582.db2.gz YTHBLDIBECGPBC-GFCCVEGCSA-N 1 0 324.184 4.904 10 0 DJAERO CC(C)Cc1ccc([C@H]([NH3+])c2ccccc2Br)cc1 ZINC000019988540 182174729 /nfs/dbraw/zinc/17/47/29/182174729.db2.gz PBDXQSACTCZTAY-KRWDZBQOSA-N 1 0 318.258 4.696 10 0 DJAERO CC(C)CC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000020015927 182178298 /nfs/dbraw/zinc/17/82/98/182178298.db2.gz FDIVWRAZDMLODF-NSHDSACASA-N 1 0 310.235 4.892 10 0 DJAERO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(F)cc1 ZINC000020095826 182186349 /nfs/dbraw/zinc/18/63/49/182186349.db2.gz SYVBVGHVPQFITA-SECBINFHSA-N 1 0 314.223 4.501 10 0 DJAERO C[C@H]([NH2+]Cc1ccccc1Br)c1ccc(Cl)cc1 ZINC000020122012 182189302 /nfs/dbraw/zinc/18/93/02/182189302.db2.gz RSSXLJTYZXODQW-NSHDSACASA-N 1 0 324.649 4.953 10 0 DJAERO C[C@H]([NH2+]Cc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000020124151 182190215 /nfs/dbraw/zinc/19/02/15/182190215.db2.gz JXWZCALFIYFRDL-NSHDSACASA-N 1 0 324.649 4.953 10 0 DJAERO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1Br ZINC000020209712 182197654 /nfs/dbraw/zinc/19/76/54/182197654.db2.gz YDPQMONNAQQLFQ-NSHDSACASA-N 1 0 324.649 4.953 10 0 DJAERO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1cccc(Br)c1 ZINC000020558225 182231621 /nfs/dbraw/zinc/23/16/21/182231621.db2.gz NGNWALSGOHZTCI-ZIAGYGMSSA-N 1 0 318.258 4.903 10 0 DJAERO CCCOc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1Cl ZINC000020925586 182254539 /nfs/dbraw/zinc/25/45/39/182254539.db2.gz HWERKGPWUHKXFU-UHFFFAOYSA-N 1 0 307.796 4.558 10 0 DJAERO CC[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000020874190 182250712 /nfs/dbraw/zinc/25/07/12/182250712.db2.gz OWJXABTZTNKLLS-UHFFFAOYSA-N 1 0 305.421 4.837 10 0 DJAERO Cc1cc(-c2ccc(C[NH2+]CC(C)C)o2)ccc1Br ZINC000020875788 182251702 /nfs/dbraw/zinc/25/17/02/182251702.db2.gz IGLLHWOUJLQECD-UHFFFAOYSA-N 1 0 322.246 4.763 10 0 DJAERO CCCOc1ccc2ccccc2c1C[NH2+]Cc1ccccc1 ZINC000020930447 182255235 /nfs/dbraw/zinc/25/52/35/182255235.db2.gz KVRPFMHRJOVCCH-UHFFFAOYSA-N 1 0 305.421 4.918 10 0 DJAERO CC(C)Cc1ccc([C@@H]([NH3+])c2cccc(Br)c2)cc1 ZINC000021810606 182292143 /nfs/dbraw/zinc/29/21/43/182292143.db2.gz BFOPUBDJNZOPNG-QGZVFWFLSA-N 1 0 318.258 4.696 10 0 DJAERO CC(C)C[NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000032198050 182637479 /nfs/dbraw/zinc/63/74/79/182637479.db2.gz VCJUJLWCWZBIMN-UHFFFAOYSA-N 1 0 303.833 4.665 10 0 DJAERO C[C@@H]1CCCC[C@H]1[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000036842455 182847970 /nfs/dbraw/zinc/84/79/70/182847970.db2.gz FTGNCJFBGLSVQP-BZVDIIDJSA-N 1 0 322.290 4.863 10 0 DJAERO CC[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000038096224 182988679 /nfs/dbraw/zinc/98/86/79/182988679.db2.gz FHJIRVPXKJMVJB-IUODEOHRSA-N 1 0 302.245 4.603 10 0 DJAERO CC[NH+](CC)CCCn1c2ccccc2nc1C1CCCCC1 ZINC000040389549 183059814 /nfs/dbraw/zinc/05/98/14/183059814.db2.gz MTRNEVZQIPUECL-UHFFFAOYSA-N 1 0 313.489 4.816 10 0 DJAERO CC[NH+](CC)CCn1c2ccccc2nc1-c1ccc(C)cc1C ZINC000040389771 183059876 /nfs/dbraw/zinc/05/98/76/183059876.db2.gz WQHFEIBJYMGXDS-UHFFFAOYSA-N 1 0 321.468 4.662 10 0 DJAERO CC[NH+](CC)CCCn1c2cc(Cl)ccc2nc1C(C)(C)C ZINC000040403739 183061434 /nfs/dbraw/zinc/06/14/34/183061434.db2.gz LIPSUQFZBRIVEI-UHFFFAOYSA-N 1 0 321.896 4.719 10 0 DJAERO Cc1cc(N2CCCCCC2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570887 183103869 /nfs/dbraw/zinc/10/38/69/183103869.db2.gz GMVHBQSMPXUYPD-UHFFFAOYSA-N 1 0 308.347 4.942 10 0 DJAERO Clc1cccc(Cl)c1COc1ccccc1C[NH2+]C1CC1 ZINC000040731837 183126517 /nfs/dbraw/zinc/12/65/17/183126517.db2.gz DSPFSJIKXGNGHJ-UHFFFAOYSA-N 1 0 322.235 4.824 10 0 DJAERO CCC[NH2+]Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000041010091 183155839 /nfs/dbraw/zinc/15/58/39/183155839.db2.gz ZIHCQKAAIBTQHC-UHFFFAOYSA-N 1 0 301.242 4.617 10 0 DJAERO COc1ccc(Nc2cc[nH+]c3c(C)c(C)ccc23)cc1OC ZINC000041055329 183160207 /nfs/dbraw/zinc/16/02/07/183160207.db2.gz DXNSHCFWJDIBOM-UHFFFAOYSA-N 1 0 308.381 4.612 10 0 DJAERO Clc1cc(Cl)cc(OCCC[NH2+]C2CCCCC2)c1 ZINC000041515140 183196005 /nfs/dbraw/zinc/19/60/05/183196005.db2.gz VJUPHBNXMRKION-UHFFFAOYSA-N 1 0 302.245 4.685 10 0 DJAERO Cc1cc(C)c(C[C@@H](C[NH3+])Cc2ccccc2Cl)c(C)c1 ZINC000041514790 183196034 /nfs/dbraw/zinc/19/60/34/183196034.db2.gz ZWJJUPZQRXYBCE-INIZCTEOSA-N 1 0 301.861 4.625 10 0 DJAERO Cc1cc(C)c(C[C@H](C[NH3+])Cc2ccccc2Cl)c(C)c1 ZINC000041514787 183196133 /nfs/dbraw/zinc/19/61/33/183196133.db2.gz ZWJJUPZQRXYBCE-MRXNPFEDSA-N 1 0 301.861 4.625 10 0 DJAERO Cc1cccc(C[C@@H](C[NH3+])Cc2ccc(Cl)cc2Cl)c1 ZINC000041541349 183201511 /nfs/dbraw/zinc/20/15/11/183201511.db2.gz KNRPBRBCEVARTJ-CQSZACIVSA-N 1 0 308.252 4.662 10 0 DJAERO CC[C@@H](C)[C@H](C)[NH2+]C1CC(c2ccccc2Br)C1 ZINC000042553596 183284077 /nfs/dbraw/zinc/28/40/77/183284077.db2.gz WNIPJIBOWXNIMW-KBHBFKLGSA-N 1 0 310.279 4.719 10 0 DJAERO CC(C)C[C@@H]1CSC(N[C@@H](C)c2ccc(Cl)s2)=[NH+]1 ZINC000042591991 183288633 /nfs/dbraw/zinc/28/86/33/183288633.db2.gz FCINJCCHRKTHFH-VHSXEESVSA-N 1 0 302.896 4.570 10 0 DJAERO CC(C)C[C@H]1CSC(N[C@H](C)c2ccc(Cl)s2)=[NH+]1 ZINC000042592000 183288658 /nfs/dbraw/zinc/28/86/58/183288658.db2.gz FCINJCCHRKTHFH-ZJUUUORDSA-N 1 0 302.896 4.570 10 0 DJAERO CC[NH2+][C@@H](c1sccc1C)c1cccc(Br)c1 ZINC000042729814 183302910 /nfs/dbraw/zinc/30/29/10/183302910.db2.gz SNGAYJWKBDFZAK-CYBMUJFWSA-N 1 0 310.260 4.518 10 0 DJAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(C)cs1)c1ccc(Cl)cc1 ZINC000042950534 183320589 /nfs/dbraw/zinc/32/05/89/183320589.db2.gz PIQBNODDBHVYIT-OLZOCXBDSA-N 1 0 312.891 4.676 10 0 DJAERO [NH3+]C[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000042949737 183320713 /nfs/dbraw/zinc/32/07/13/183320713.db2.gz AHVXFGKPOXBZBF-CQSZACIVSA-N 1 0 316.615 4.726 10 0 DJAERO [NH3+]C[C@H](Oc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000042949068 183321078 /nfs/dbraw/zinc/32/10/78/183321078.db2.gz RRXLZZDTJQTDDD-ZDUSSCGKSA-N 1 0 316.615 4.726 10 0 DJAERO Cc1cccc(S[C@H](C[NH3+])c2ccc(Br)cc2)c1 ZINC000042959784 183323766 /nfs/dbraw/zinc/32/37/66/183323766.db2.gz TZXIBUHKTIDYAX-OAHLLOKOSA-N 1 0 322.271 4.550 10 0 DJAERO CC[C@H]([NH3+])[C@H](Sc1nc(C)cs1)c1cccc(Cl)c1 ZINC000043019230 183328684 /nfs/dbraw/zinc/32/86/84/183328684.db2.gz ZWAFIHSNFJKBDJ-QWHCGFSZSA-N 1 0 312.891 4.676 10 0 DJAERO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1Cl ZINC000042816494 183311868 /nfs/dbraw/zinc/31/18/68/183311868.db2.gz XBNYPKFFPHPLIJ-ZJUUUORDSA-N 1 0 322.663 4.867 10 0 DJAERO CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(Cl)cc1Cl ZINC000042815117 183311889 /nfs/dbraw/zinc/31/18/89/183311889.db2.gz MHYHOPMDXCXDFL-WFASDCNBSA-N 1 0 302.245 4.603 10 0 DJAERO Cc1ccc(S[C@H](C[NH3+])c2ccccc2Br)cc1 ZINC000043095757 183337433 /nfs/dbraw/zinc/33/74/33/183337433.db2.gz KIALTZANZOMKPH-OAHLLOKOSA-N 1 0 322.271 4.550 10 0 DJAERO C[C@@H]([NH3+])[C@H](Sc1ccccc1)c1ccccc1Br ZINC000043095672 183337818 /nfs/dbraw/zinc/33/78/18/183337818.db2.gz GHZFXVQLLCEDNI-ABAIWWIYSA-N 1 0 322.271 4.630 10 0 DJAERO CC[C@@H]([NH3+])[C@H](Oc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000043111706 183338177 /nfs/dbraw/zinc/33/81/77/183338177.db2.gz CWYNCIMDDWXZEU-OCCSQVGLSA-N 1 0 316.253 4.912 10 0 DJAERO C[C@H]([NH3+])[C@@H](Oc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000043111948 183338191 /nfs/dbraw/zinc/33/81/91/183338191.db2.gz DMCFWDCLCPROMH-ISVAXAHUSA-N 1 0 302.226 4.522 10 0 DJAERO [NH3+]C[C@@H](Sc1cc(Cl)ccc1Cl)c1cccs1 ZINC000043112642 183338507 /nfs/dbraw/zinc/33/85/07/183338507.db2.gz IGBDUTFMZISHBC-GFCCVEGCSA-N 1 0 304.267 4.847 10 0 DJAERO C[C@@H]([NH3+])[C@H](Oc1cc(Cl)ccc1Cl)c1cccs1 ZINC000043107833 183338581 /nfs/dbraw/zinc/33/85/81/183338581.db2.gz SZRGDSHHNUPRHO-OQPBUACISA-N 1 0 302.226 4.522 10 0 DJAERO CC[C@H]([NH3+])[C@@H](Sc1nc(C)cs1)c1ccccc1Cl ZINC000043089450 183335352 /nfs/dbraw/zinc/33/53/52/183335352.db2.gz DJQIABBRIFCMDO-STQMWFEESA-N 1 0 312.891 4.676 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+]Cc2sccc2Br)s1 ZINC000043675334 183378996 /nfs/dbraw/zinc/37/89/96/183378996.db2.gz RQSRCSYCJYYJKJ-SECBINFHSA-N 1 0 316.289 4.731 10 0 DJAERO C[NH2+][C@H]1CCCc2nc(-c3cc(Cl)cc(Cl)c3)sc21 ZINC000050330577 183782428 /nfs/dbraw/zinc/78/24/28/183782428.db2.gz PWGOYINKTLHANQ-NSHDSACASA-N 1 0 313.253 4.714 10 0 DJAERO C[C@H](C[NH2+]Cc1cccs1)Oc1ccc(Cl)cc1Cl ZINC000053566937 183906723 /nfs/dbraw/zinc/90/67/23/183906723.db2.gz MILGXJJDIZAPGS-SNVBAGLBSA-N 1 0 316.253 4.612 10 0 DJAERO Cc1ccc(O[C@@H](c2ccc(Cl)s2)[C@H](C)[NH3+])c(Cl)c1 ZINC000054349632 183935812 /nfs/dbraw/zinc/93/58/12/183935812.db2.gz GKFYVIUZVSVXPR-LKFCYVNXSA-N 1 0 316.253 4.831 10 0 DJAERO [NH3+]C[C@@H](Cc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000057737183 184050252 /nfs/dbraw/zinc/05/02/52/184050252.db2.gz UINTXAOUUUHQSI-LLVKDONJSA-N 1 0 314.643 4.932 10 0 DJAERO C[NH2+][C@@H](C)c1ccccc1C(F)(F)C(F)(F)c1ccccc1 ZINC000060222797 184145748 /nfs/dbraw/zinc/14/57/48/184145748.db2.gz WKEAIPHTQIYVTD-LBPRGKRZSA-N 1 0 311.322 4.851 10 0 DJAERO C[C@H]([NH3+])c1ccc(Sc2ccccc2)c(Br)c1 ZINC000061699921 184183916 /nfs/dbraw/zinc/18/39/16/184183916.db2.gz XFDJYPMYDWDJRK-JTQLQIEISA-N 1 0 308.244 4.620 10 0 DJAERO [NH3+][C@@H](Cc1ccc(F)cc1Cl)c1ccc(Cl)cc1F ZINC000062786019 184252958 /nfs/dbraw/zinc/25/29/58/184252958.db2.gz VRDNWEREMVIICP-AWEZNQCLSA-N 1 0 302.151 4.514 10 0 DJAERO COc1cc2[nH+]ccc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000065005331 184308202 /nfs/dbraw/zinc/30/82/02/184308202.db2.gz CAZUOSFSOJRCNY-UHFFFAOYSA-N 1 0 314.772 4.649 10 0 DJAERO CCc1ccccc1Nc1cc[nH+]c2cc(OC)c(OC)cc12 ZINC000065005268 184308386 /nfs/dbraw/zinc/30/83/86/184308386.db2.gz GPXQSMIMBGCSFD-UHFFFAOYSA-N 1 0 308.381 4.558 10 0 DJAERO COc1cc2[nH+]ccc(Nc3ccccc3Cl)c2cc1OC ZINC000065005232 184308476 /nfs/dbraw/zinc/30/84/76/184308476.db2.gz HVWCAEBJGGAXDT-UHFFFAOYSA-N 1 0 314.772 4.649 10 0 DJAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000238850832 257260257 /nfs/dbraw/zinc/26/02/57/257260257.db2.gz CWLMKZQZGZWEAK-WYUUTHIRSA-N 1 0 317.317 4.818 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)cn1 ZINC000274858912 130268545 /nfs/dbraw/zinc/26/85/45/130268545.db2.gz CPANBJPFMNSPMF-HOSYDEDBSA-N 1 0 306.759 4.507 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)cn1 ZINC000274858914 130268575 /nfs/dbraw/zinc/26/85/75/130268575.db2.gz CPANBJPFMNSPMF-JBLDHEPKSA-N 1 0 306.759 4.507 10 0 DJAERO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2C(C)(C)C)cc1 ZINC000261687423 331706142 /nfs/dbraw/zinc/70/61/42/331706142.db2.gz ISVIRGWLFXOEQL-CYBMUJFWSA-N 1 0 311.429 4.648 10 0 DJAERO Cc1ccc([C@H]([NH2+]Cc2cncc(C)c2)c2ccccc2)c(C)c1 ZINC000181029600 332173243 /nfs/dbraw/zinc/17/32/43/332173243.db2.gz IOKNREKWKAMQAB-JOCHJYFZSA-N 1 0 316.448 4.886 10 0 DJAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1cccs1 ZINC000151684004 332602653 /nfs/dbraw/zinc/60/26/53/332602653.db2.gz CWQAXEAXTICOJR-WMLDXEAASA-N 1 0 311.454 4.736 10 0 DJAERO Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000178000891 333000876 /nfs/dbraw/zinc/00/08/76/333000876.db2.gz TYSVXRXTXLFLPC-DOMZBBRYSA-N 1 0 316.470 4.713 10 0 DJAERO C[C@@H](COCc1ccccc1)[NH2+]Cc1ccc2ccccc2c1 ZINC000390519165 333289311 /nfs/dbraw/zinc/28/93/11/333289311.db2.gz FHZGSKWQCRNQSK-KRWDZBQOSA-N 1 0 305.421 4.535 10 0 DJAERO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 ZINC000019992883 333294915 /nfs/dbraw/zinc/29/49/15/333294915.db2.gz LFFTYRYEHZAXQZ-LLVKDONJSA-N 1 0 311.759 4.792 10 0 DJAERO Cc1ccc2cc(C[NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)ccc2n1 ZINC000187640059 334266553 /nfs/dbraw/zinc/26/65/53/334266553.db2.gz RGXVCUXFLSDQOJ-HZPDHXFCSA-N 1 0 322.374 4.754 10 0 DJAERO CC[C@@H]([NH2+][C@@H]1CCCc2cc(OC)ccc21)c1cccs1 ZINC000049529134 334345256 /nfs/dbraw/zinc/34/52/56/334345256.db2.gz ULXARDMMIACQRO-IAGOWNOFSA-N 1 0 301.455 4.875 10 0 DJAERO CCC(CC)C[N@H+](CC)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000101726488 334350988 /nfs/dbraw/zinc/35/09/88/334350988.db2.gz YKUYXIFADHTHHT-AWEZNQCLSA-N 1 0 301.434 4.556 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2)cc1C ZINC000042352382 336239680 /nfs/dbraw/zinc/23/96/80/336239680.db2.gz QZPLRRLYSIGKHH-CQSZACIVSA-N 1 0 318.258 4.917 10 0 DJAERO COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCOc4ccccc43)oc21 ZINC000192793496 336262066 /nfs/dbraw/zinc/26/20/66/336262066.db2.gz XKKQHTXKVPEXJO-XJKSGUPXSA-N 1 0 323.392 4.616 10 0 DJAERO CC[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1cccs1 ZINC000168428103 336693613 /nfs/dbraw/zinc/69/36/13/336693613.db2.gz MLNAQSGUTWQCSR-CQSZACIVSA-N 1 0 306.500 4.519 10 0 DJAERO CCC[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(OC)cc1 ZINC000178272101 337161814 /nfs/dbraw/zinc/16/18/14/337161814.db2.gz VHVAAJLNTOQOKI-RBUKOAKNSA-N 1 0 311.425 4.650 10 0 DJAERO C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1cc(F)ccc1F ZINC000178607326 337165374 /nfs/dbraw/zinc/16/53/74/337165374.db2.gz UAAMXYQHSFUKEU-VBKZILBWSA-N 1 0 324.374 4.800 10 0 DJAERO C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1ccccc1F ZINC000178606354 337165497 /nfs/dbraw/zinc/16/54/97/337165497.db2.gz ZVMXHQHAEXTCIE-MGPUTAFESA-N 1 0 306.384 4.661 10 0 DJAERO CC(=O)O[C@@H]1CCCCCCCCCC[C@@H]1[NH+]1CCCCC1 ZINC000584600576 337370864 /nfs/dbraw/zinc/37/08/64/337370864.db2.gz QVXUXGOJHBYJOU-RBUKOAKNSA-N 1 0 309.494 4.687 10 0 DJAERO C[C@H](c1ccc(F)cc1)n1cncc1-c1cccc2cnccc21 ZINC000584606150 337371738 /nfs/dbraw/zinc/37/17/38/337371738.db2.gz HEXXTSHTWDUUQU-CQSZACIVSA-N 1 0 317.367 4.847 10 0 DJAERO CCCC[C@](C=C=C(C)C)(CC)C[NH2+][C@H]1CCCN(CC)C1 ZINC000584631755 337376983 /nfs/dbraw/zinc/37/69/83/337376983.db2.gz TUFCVMXDTROWFI-PMACEKPBSA-N 1 0 306.538 4.768 10 0 DJAERO CCCCC[N@@H+]1CC[C@@](CC(C)C)(c2cccc(OC)c2)C1 ZINC000584650407 337380791 /nfs/dbraw/zinc/38/07/91/337380791.db2.gz IANBACCZCHUDLU-FQEVSTJZSA-N 1 0 303.490 4.875 10 0 DJAERO CCC[C@]1(c2cccc(O)c2)CC[N@H+](CC2CCCCC2)C1 ZINC000584650690 337380909 /nfs/dbraw/zinc/38/09/09/337380909.db2.gz MRZPLCRYKHVTBT-FQEVSTJZSA-N 1 0 301.474 4.716 10 0 DJAERO CC1(C)C[C@H]([NH2+][C@@H]2CCCOc3ccccc32)c2ccccc2O1 ZINC000133593820 337445743 /nfs/dbraw/zinc/44/57/43/337445743.db2.gz OCCIDJKJOSYZPX-MSOLQXFVSA-N 1 0 323.436 4.792 10 0 DJAERO CC1(C)C[C@@H]([NH2+][C@H]2CCCOc3ccccc32)c2ccccc2O1 ZINC000133594384 337445749 /nfs/dbraw/zinc/44/57/49/337445749.db2.gz OCCIDJKJOSYZPX-ZWKOTPCHSA-N 1 0 323.436 4.792 10 0 DJAERO c1ccc2c(c1)-c1ccccc1C2[NH2+][C@H]1CCOc2ccccc21 ZINC000194710726 338723920 /nfs/dbraw/zinc/72/39/20/338723920.db2.gz SQFZSVMWHDQHTJ-FQEVSTJZSA-N 1 0 313.400 4.870 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)c3cccnc23)o1 ZINC000166413352 339053259 /nfs/dbraw/zinc/05/32/59/339053259.db2.gz HZADKTXBMLVMIZ-GFCCVEGCSA-N 1 0 300.789 4.640 10 0 DJAERO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cn1)c1ccc(Cl)s1 ZINC000480332789 339569412 /nfs/dbraw/zinc/56/94/12/339569412.db2.gz VPAZHGDPBMQJQV-RKDXNWHRSA-N 1 0 301.242 4.862 10 0 DJAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000484379906 339685783 /nfs/dbraw/zinc/68/57/83/339685783.db2.gz PYKFHGCYTTUVPO-BKDNQFJXSA-N 1 0 308.249 4.677 10 0 DJAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000503562700 340130679 /nfs/dbraw/zinc/13/06/79/340130679.db2.gz LYWUUNUGRISVHA-YVECIDJPSA-N 1 0 316.272 4.848 10 0 DJAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)cc1 ZINC000191110681 340550126 /nfs/dbraw/zinc/55/01/26/340550126.db2.gz BUVWJTQYKJWYNF-GJZGRUSLSA-N 1 0 313.489 4.921 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 ZINC000037141731 340763091 /nfs/dbraw/zinc/76/30/91/340763091.db2.gz VKVOGODOHMIWFR-ZMLRMANQSA-N 1 0 307.306 4.737 10 0 DJAERO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1c(Cl)ccc(F)c1Cl ZINC000125899644 340814525 /nfs/dbraw/zinc/81/45/25/340814525.db2.gz RKTXNWHXIPYVPI-NXEZZACHSA-N 1 0 320.235 4.598 10 0 DJAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C)c1cccc(Cl)c1 ZINC000247604977 341367980 /nfs/dbraw/zinc/36/79/80/341367980.db2.gz LNMAVHAQIKILGB-CXAGYDPISA-N 1 0 317.864 4.588 10 0 DJAERO CC(C)[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccccc1Cl ZINC000248827120 341387833 /nfs/dbraw/zinc/38/78/33/341387833.db2.gz MBQBRYJKQIKMGH-QGTPRVQTSA-N 1 0 307.865 4.584 10 0 DJAERO Cc1ccccc1[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccccc1 ZINC000248867286 341388870 /nfs/dbraw/zinc/38/88/70/341388870.db2.gz QHCUNFXAPAQQMU-KSEOMHKRSA-N 1 0 321.464 4.632 10 0 DJAERO CC1(C)C[C@H]([NH2+][C@@H]2CCCNc3ccccc32)c2ccccc2O1 ZINC000192960406 341900044 /nfs/dbraw/zinc/90/00/44/341900044.db2.gz ZPQRLLJGMRFCMI-MOPGFXCFSA-N 1 0 322.452 4.825 10 0 DJAERO FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000034781459 563451454 /nfs/dbraw/zinc/45/14/54/563451454.db2.gz CWLMKZQZGZWEAK-NNYUYHANSA-N 1 0 317.317 4.818 10 0 DJAERO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010474922 563649067 /nfs/dbraw/zinc/64/90/67/563649067.db2.gz SLEFOFFGZYTYML-AWEZNQCLSA-N 1 0 303.833 4.807 10 0 DJAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccccc1C(F)(F)F ZINC000013726115 563662921 /nfs/dbraw/zinc/66/29/21/563662921.db2.gz NPCZOESNRSTBTA-AWEZNQCLSA-N 1 0 307.359 4.816 10 0 DJAERO CC[NH2+]Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000033454434 563770199 /nfs/dbraw/zinc/77/01/99/563770199.db2.gz RUYIWNMZDYYPNJ-UHFFFAOYSA-N 1 0 310.224 4.682 10 0 DJAERO CCCc1nc(-c2c(F)cccc2F)sc1C[NH2+]C(C)C ZINC000082427362 185181052 /nfs/dbraw/zinc/18/10/52/185181052.db2.gz MDCWKYGJHMVCBO-UHFFFAOYSA-N 1 0 310.413 4.539 10 0 DJAERO CCC[NH2+]Cc1sc(-c2ccc(CC)cc2)nc1CCC ZINC000082428464 185181355 /nfs/dbraw/zinc/18/13/55/185181355.db2.gz HMOJVKIAIRKUTE-UHFFFAOYSA-N 1 0 302.487 4.825 10 0 DJAERO Cc1ccccc1-c1nc(C(C)(C)C)c(C[NH2+]C2CC2)s1 ZINC000082438662 185182631 /nfs/dbraw/zinc/18/26/31/185182631.db2.gz IBTWAMRUSYJLTL-UHFFFAOYSA-N 1 0 300.471 4.668 10 0 DJAERO Cc1ccc([C@H](C[NH3+])Sc2ccc(Br)cc2)cc1 ZINC000042907601 190672606 /nfs/dbraw/zinc/67/26/06/190672606.db2.gz RZDVVIROZVSWNM-HNNXBMFYSA-N 1 0 322.271 4.550 10 0 DJAERO Clc1ccc2c(c1)c(-c1ccccc1)cn2C1CC[NH2+]CC1 ZINC000145260386 186037089 /nfs/dbraw/zinc/03/70/89/186037089.db2.gz XUIUYTSSONWLNH-UHFFFAOYSA-N 1 0 310.828 4.886 10 0 DJAERO c1ccc(-c2cc[n+](Cc3cccnc3)c(-c3ccccc3)c2)cc1 ZINC000005332100 181230089 /nfs/dbraw/zinc/23/00/89/181230089.db2.gz FOVFSILNACPQHX-UHFFFAOYSA-N 1 0 323.419 4.751 10 0 DJAERO C[NH+](C)C[C@@H]1CSC(C2CCCCC2)(C2CCCCC2)O1 ZINC000005958026 181300628 /nfs/dbraw/zinc/30/06/28/181300628.db2.gz FUWAPHITKKFUGP-QGZVFWFLSA-N 1 0 311.535 4.537 10 0 DJAERO C[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315559 181665049 /nfs/dbraw/zinc/66/50/49/181665049.db2.gz RZZNNCFKNPVFQV-UHFFFAOYSA-N 1 0 319.235 4.716 10 0 DJAERO Cc1cc(C)c(C)c([C@H]([NH3+])c2ccc(Br)cc2)c1C ZINC000019232261 182110190 /nfs/dbraw/zinc/11/01/90/182110190.db2.gz QIPMLALLLYSKPF-QGZVFWFLSA-N 1 0 318.258 4.731 10 0 DJAERO CC(C)(C)[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1Br ZINC000019971853 182172234 /nfs/dbraw/zinc/17/22/34/182172234.db2.gz OCFXLOGAGNMKBF-JTQLQIEISA-N 1 0 310.157 4.514 10 0 DJAERO CC(C)Cc1ccc([C@@H]([NH3+])c2ccccc2Br)cc1 ZINC000019988536 182174477 /nfs/dbraw/zinc/17/44/77/182174477.db2.gz PBDXQSACTCZTAY-QGZVFWFLSA-N 1 0 318.258 4.696 10 0 DJAERO CC[C@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(Br)cc1 ZINC000020121402 182189070 /nfs/dbraw/zinc/18/90/70/182189070.db2.gz ABICGZUGDNRSFN-LRDDRELGSA-N 1 0 319.246 4.646 10 0 DJAERO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1cccc(Br)c1 ZINC000020129717 182190229 /nfs/dbraw/zinc/19/02/29/182190229.db2.gz GYVLTUFUBDWOIL-YVEFUNNKSA-N 1 0 316.242 4.787 10 0 DJAERO Brc1ccc(C[NH2+][C@H]2CCCc3ccccc32)s1 ZINC000020133756 182190900 /nfs/dbraw/zinc/19/09/00/182190900.db2.gz SRAHPMXLNYRDTD-AWEZNQCLSA-N 1 0 322.271 4.678 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1ccccc1Br ZINC000020144795 182191647 /nfs/dbraw/zinc/19/16/47/182191647.db2.gz NJKFDSPEEBQBDF-QWHCGFSZSA-N 1 0 322.246 4.714 10 0 DJAERO C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1cccc(Br)c1 ZINC000020144689 182191739 /nfs/dbraw/zinc/19/17/39/182191739.db2.gz JIEQWYUOSPYLAZ-QWHCGFSZSA-N 1 0 322.246 4.714 10 0 DJAERO Cc1ccc(Oc2ccc([C@@H](C)[NH3+])cc2)c(Br)c1 ZINC000020077949 182185283 /nfs/dbraw/zinc/18/52/83/182185283.db2.gz DUSMCZNKDAPXPL-LLVKDONJSA-N 1 0 306.203 4.570 10 0 DJAERO CCC[C@@H](C)[C@H]([NH3+])c1cc(Cl)cc(Br)c1OC ZINC000020252196 182200213 /nfs/dbraw/zinc/20/02/13/182200213.db2.gz IBWUEEPOVJDNAN-PELKAZGASA-N 1 0 320.658 4.547 10 0 DJAERO C[C@@H](C[NH2+][C@H](C)c1cccc(Br)c1)c1ccccc1 ZINC000020558223 182231294 /nfs/dbraw/zinc/23/12/94/182231294.db2.gz NGNWALSGOHZTCI-UONOGXRCSA-N 1 0 318.258 4.903 10 0 DJAERO CCn1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)c2ccccc21 ZINC000020934953 182255182 /nfs/dbraw/zinc/25/51/82/182255182.db2.gz RKVYZHVADMPONR-UHFFFAOYSA-N 1 0 308.469 4.576 10 0 DJAERO CCCc1ccc([C@@H]([NH3+])Cc2ccc(Br)cc2)cc1 ZINC000021009706 182259378 /nfs/dbraw/zinc/25/93/78/182259378.db2.gz AMHBZQPYFPSDOZ-KRWDZBQOSA-N 1 0 318.258 4.644 10 0 DJAERO CCCc1ccc([C@H]([NH3+])c2ccc(Br)cc2F)cc1 ZINC000021501177 182275227 /nfs/dbraw/zinc/27/52/27/182275227.db2.gz LIEUSMLCKLHTSQ-INIZCTEOSA-N 1 0 322.221 4.589 10 0 DJAERO C[C@@H]([NH3+])c1c(F)cccc1Oc1cccc(Cl)c1Cl ZINC000021799592 182290608 /nfs/dbraw/zinc/29/06/08/182290608.db2.gz TXTAERKEJQCNJX-MRVPVSSYSA-N 1 0 300.160 4.945 10 0 DJAERO CC[NH2+]Cc1cccc(OCc2c(Cl)cccc2Cl)c1 ZINC000033454439 182712600 /nfs/dbraw/zinc/71/26/00/182712600.db2.gz WCAPPPHFUFWOTK-UHFFFAOYSA-N 1 0 310.224 4.682 10 0 DJAERO CC[NH2+][C@H](CCc1ccccc1)c1cccc(Br)c1 ZINC000037534971 182904885 /nfs/dbraw/zinc/90/48/85/182904885.db2.gz QFUUEURGIGZNCN-QGZVFWFLSA-N 1 0 318.258 4.733 10 0 DJAERO CC[NH2+][C@@H](CCc1ccccc1)c1cccc(Br)c1 ZINC000037534970 182904950 /nfs/dbraw/zinc/90/49/50/182904950.db2.gz QFUUEURGIGZNCN-KRWDZBQOSA-N 1 0 318.258 4.733 10 0 DJAERO CC[NH+](CC)CCCn1c2cc(Cl)ccc2nc1C(C)C ZINC000040403694 183061700 /nfs/dbraw/zinc/06/17/00/183061700.db2.gz DMGGQOBUCDYZRA-UHFFFAOYSA-N 1 0 307.869 4.545 10 0 DJAERO COc1cc(Nc2cc[nH+]c3c(C)cc(C)cc23)cc(OC)c1 ZINC000041055019 183159665 /nfs/dbraw/zinc/15/96/65/183159665.db2.gz AVORHZSTMVWZMQ-UHFFFAOYSA-N 1 0 308.381 4.612 10 0 DJAERO Cc1cc(C)c(C[C@@H](C[NH3+])Cc2ccc(Cl)cc2)c(C)c1 ZINC000041514802 183196022 /nfs/dbraw/zinc/19/60/22/183196022.db2.gz COCUNKGDCNNJPF-KRWDZBQOSA-N 1 0 301.861 4.625 10 0 DJAERO CC(C)c1ccc(C[C@@H](C[NH3+])Cc2ccccc2Cl)cc1 ZINC000041514772 183196054 /nfs/dbraw/zinc/19/60/54/183196054.db2.gz JTXHKIDLXYBWQC-MRXNPFEDSA-N 1 0 301.861 4.824 10 0 DJAERO CC(C)c1ccc(C[C@H](C[NH3+])Cc2cccc(Cl)c2)cc1 ZINC000041514775 183196127 /nfs/dbraw/zinc/19/61/27/183196127.db2.gz LBIJGJFKWOPDRO-KRWDZBQOSA-N 1 0 301.861 4.824 10 0 DJAERO Cc1ccc(C[C@H](C[NH3+])Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000041541365 183201253 /nfs/dbraw/zinc/20/12/53/183201253.db2.gz XIZPYTYZHCHKDG-HNNXBMFYSA-N 1 0 308.252 4.662 10 0 DJAERO CC[C@H](C)[C@@H](C)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000042553545 183284390 /nfs/dbraw/zinc/28/43/90/183284390.db2.gz ZWVVBGKJHISISO-QFNJPPCTSA-N 1 0 310.279 4.719 10 0 DJAERO CC[NH2+][C@H](c1sccc1C)c1cccc(Br)c1 ZINC000042729811 183302686 /nfs/dbraw/zinc/30/26/86/183302686.db2.gz SNGAYJWKBDFZAK-ZDUSSCGKSA-N 1 0 310.260 4.518 10 0 DJAERO CC[NH2+][C@@H](c1sccc1C)c1ccccc1Br ZINC000042729796 183302810 /nfs/dbraw/zinc/30/28/10/183302810.db2.gz IBZUXKWYXBSOJL-CYBMUJFWSA-N 1 0 310.260 4.518 10 0 DJAERO CCC[NH2+][C@@H](c1sccc1C)c1cccc(Br)c1 ZINC000042730257 183303108 /nfs/dbraw/zinc/30/31/08/183303108.db2.gz MMTQJCJUKVUNKR-CQSZACIVSA-N 1 0 324.287 4.908 10 0 DJAERO [NH3+]C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 ZINC000042899743 183317427 /nfs/dbraw/zinc/31/74/27/183317427.db2.gz JOCDSIJONCVPGK-AWEZNQCLSA-N 1 0 316.615 4.726 10 0 DJAERO [NH3+]C[C@H](Sc1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000042943011 183320027 /nfs/dbraw/zinc/32/00/27/183320027.db2.gz CCPPCOZEQNOZFO-AWEZNQCLSA-N 1 0 316.228 4.925 10 0 DJAERO CC[C@H]([NH3+])[C@@H](Sc1nc(C)cs1)c1cccc(Cl)c1 ZINC000043019234 183328515 /nfs/dbraw/zinc/32/85/15/183328515.db2.gz ZWAFIHSNFJKBDJ-STQMWFEESA-N 1 0 312.891 4.676 10 0 DJAERO Cc1ccccc1[C@@H](C[NH3+])Sc1ccc(Br)cc1 ZINC000043041509 183331844 /nfs/dbraw/zinc/33/18/44/183331844.db2.gz BGJDRDGWNHBMHK-OAHLLOKOSA-N 1 0 322.271 4.550 10 0 DJAERO [NH3+]C[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC000043053604 183332565 /nfs/dbraw/zinc/33/25/65/183332565.db2.gz CWJCYKVRXSKXRK-AWEZNQCLSA-N 1 0 316.615 4.726 10 0 DJAERO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1Cl ZINC000042816504 183312174 /nfs/dbraw/zinc/31/21/74/183312174.db2.gz XBNYPKFFPHPLIJ-NXEZZACHSA-N 1 0 322.663 4.867 10 0 DJAERO CC[C@@H]([NH3+])[C@@H](S[C@@H](C)CC)c1ccccc1Br ZINC000043096056 183337290 /nfs/dbraw/zinc/33/72/90/183337290.db2.gz ABZZYWYHKQXDCL-GDLCADMTSA-N 1 0 316.308 4.759 10 0 DJAERO C[C@@H]([NH3+])[C@H](Oc1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000043111691 183337977 /nfs/dbraw/zinc/33/79/77/183337977.db2.gz WYNLKCKBZKPDBW-OQPBUACISA-N 1 0 302.226 4.522 10 0 DJAERO C[C@@H]([NH3+])[C@H](Oc1cccc(Cl)c1Cl)c1cccs1 ZINC000043110138 183338454 /nfs/dbraw/zinc/33/84/54/183338454.db2.gz MGGQAVMSIQPVSL-OQPBUACISA-N 1 0 302.226 4.522 10 0 DJAERO C[C@H]([NH3+])[C@H](Oc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000043111940 183338463 /nfs/dbraw/zinc/33/84/63/183338463.db2.gz DMCFWDCLCPROMH-SDBXPKJASA-N 1 0 302.226 4.522 10 0 DJAERO [NH3+]C[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1Cl ZINC000043087957 183334883 /nfs/dbraw/zinc/33/48/83/183334883.db2.gz LWTWWWDXGKWNAN-CYBMUJFWSA-N 1 0 316.615 4.726 10 0 DJAERO CC[NH2+][C@@H](c1ccc(OC)c(Br)c1)C1=CCCCC1 ZINC000050326458 183782344 /nfs/dbraw/zinc/78/23/44/183782344.db2.gz MQEFTUVHZWNMIZ-MRXNPFEDSA-N 1 0 324.262 4.609 10 0 DJAERO C[C@]([NH3+])(c1cccc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000055195771 183970568 /nfs/dbraw/zinc/97/05/68/183970568.db2.gz JFJVGIWAEMIVAI-AWEZNQCLSA-N 1 0 300.616 4.869 10 0 DJAERO CC(C)(C)c1ccc([C@H](C[NH3+])Nc2cccc(Cl)c2)cc1 ZINC000057631208 184042916 /nfs/dbraw/zinc/04/29/16/184042916.db2.gz LXQUFVYVYHGHGA-KRWDZBQOSA-N 1 0 302.849 4.749 10 0 DJAERO CC(C)(C)c1ccc([C@H](C[NH3+])Nc2ccccc2Cl)cc1 ZINC000057631204 184043022 /nfs/dbraw/zinc/04/30/22/184043022.db2.gz SDVZGQKDWLEWBL-KRWDZBQOSA-N 1 0 302.849 4.749 10 0 DJAERO [NH3+][C@H](Cc1ccc(Cl)s1)Cc1ccc(Cl)c(Cl)c1 ZINC000060703435 184154402 /nfs/dbraw/zinc/15/44/02/184154402.db2.gz XKCGIMDHNCLCFO-VIFPVBQESA-N 1 0 320.672 4.821 10 0 DJAERO NC(=[NH2+])c1ccc(Oc2cc(Cl)cc(Cl)c2)c(Cl)c1 ZINC000062794716 184253137 /nfs/dbraw/zinc/25/31/37/184253137.db2.gz FIZGWZYQCVXZEO-UHFFFAOYSA-N 1 0 315.587 4.723 10 0 DJAERO [NH3+][C@H](Cc1ccc(F)cc1Cl)c1ccc(Cl)cc1F ZINC000062786020 184253233 /nfs/dbraw/zinc/25/32/33/184253233.db2.gz VRDNWEREMVIICP-CQSZACIVSA-N 1 0 302.151 4.514 10 0 DJAERO C[NH2+][C@H](C)c1ccc(SC2CCCC2)c(Br)c1 ZINC000062829831 184254944 /nfs/dbraw/zinc/25/49/44/184254944.db2.gz LGRGBEAUUBBHOM-SNVBAGLBSA-N 1 0 314.292 4.764 10 0 DJAERO C[C@H]([NH3+])c1ccc(SCC2CCCC2)c(Br)c1 ZINC000062836232 184255751 /nfs/dbraw/zinc/25/57/51/184255751.db2.gz KOCZZRGALBJWCU-JTQLQIEISA-N 1 0 314.292 4.751 10 0 DJAERO Cc1cc(Br)ccc1Oc1ccc([C@@H](C)[NH3+])cc1F ZINC000063062091 184268593 /nfs/dbraw/zinc/26/85/93/184268593.db2.gz RRWKWNOOIBPIRB-SNVBAGLBSA-N 1 0 324.193 4.709 10 0 DJAERO CCCn1ccc(C[NH2+][C@@H](C)c2cccc(Br)c2)c1 ZINC000091010258 332058850 /nfs/dbraw/zinc/05/88/50/332058850.db2.gz XKUDZOXGASQHPF-ZDUSSCGKSA-N 1 0 321.262 4.511 10 0 DJAERO CC[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)c1cccs1 ZINC000151684119 332602689 /nfs/dbraw/zinc/60/26/89/332602689.db2.gz CWQAXEAXTICOJR-RHSMWYFYSA-N 1 0 311.454 4.736 10 0 DJAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000151701858 332604876 /nfs/dbraw/zinc/60/48/76/332604876.db2.gz NNBGHABSMITEHW-DLBZAZTESA-N 1 0 305.425 4.593 10 0 DJAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000390544731 333296367 /nfs/dbraw/zinc/29/63/67/333296367.db2.gz TXSGNMRRFRQQGV-CHWSQXEVSA-N 1 0 309.862 4.657 10 0 DJAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000390560377 333300859 /nfs/dbraw/zinc/30/08/59/333300859.db2.gz LJORNTWMNYFEET-STQMWFEESA-N 1 0 309.862 4.657 10 0 DJAERO COc1cccc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000021029324 333413106 /nfs/dbraw/zinc/41/31/06/333413106.db2.gz UWVMPXWGCGNUQL-LLVKDONJSA-N 1 0 310.224 4.853 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2Br)cc1C ZINC000048819704 334301284 /nfs/dbraw/zinc/30/12/84/334301284.db2.gz RLKGHNZPRYCTNQ-CQSZACIVSA-N 1 0 318.258 4.917 10 0 DJAERO Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000164987636 334691608 /nfs/dbraw/zinc/69/16/08/334691608.db2.gz SKBHENFZWUGQSU-UTKZUKDTSA-N 1 0 302.421 4.830 10 0 DJAERO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(F)cc(F)c1 ZINC000094826875 335755623 /nfs/dbraw/zinc/75/56/23/335755623.db2.gz SZELFSLCGMUDOG-CHIMOYNISA-N 1 0 307.306 4.737 10 0 DJAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1C(F)(F)F ZINC000192794521 336262027 /nfs/dbraw/zinc/26/20/27/336262027.db2.gz VMSDZRNHNVCZNR-MLGOLLRUSA-N 1 0 321.342 4.880 10 0 DJAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000193002664 336286938 /nfs/dbraw/zinc/28/69/38/336286938.db2.gz MRBGOBOKYITRTB-RHSMWYFYSA-N 1 0 307.393 4.916 10 0 DJAERO CCc1ccc([C@H](C)[NH2+]Cc2cccc(Br)c2)cc1 ZINC000034992674 336385085 /nfs/dbraw/zinc/38/50/85/336385085.db2.gz CFFBTNUBGPDDID-ZDUSSCGKSA-N 1 0 318.258 4.862 10 0 DJAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(Br)cc32)o1 ZINC000193159018 336619790 /nfs/dbraw/zinc/61/97/90/336619790.db2.gz ZOJWTCTWHIKCBF-NHYWBVRUSA-N 1 0 320.230 4.689 10 0 DJAERO COc1cccc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)c1 ZINC000177290045 337156713 /nfs/dbraw/zinc/15/67/13/337156713.db2.gz NGIPXHHAGBBNIO-IIBYNOLFSA-N 1 0 318.420 4.530 10 0 DJAERO CC[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(F)cc1F ZINC000178275384 337162022 /nfs/dbraw/zinc/16/20/22/337162022.db2.gz QVPQUQPIRLMPJG-IRXDYDNUSA-N 1 0 303.352 4.529 10 0 DJAERO CC[C@H](NCc1ncc(-c2cccc(F)c2)o1)c1cccs1 ZINC000184059299 337196918 /nfs/dbraw/zinc/19/69/18/337196918.db2.gz KTGQZAJWFQNMQV-AWEZNQCLSA-N 1 0 316.401 4.783 10 0 DJAERO C[C@@H]([NH2+]Cc1cc(F)cc2cccnc21)c1ccc(Cl)s1 ZINC000193111037 337308306 /nfs/dbraw/zinc/30/83/06/337308306.db2.gz IFDSHIWMLCJPOH-SNVBAGLBSA-N 1 0 320.820 4.940 10 0 DJAERO C[NH+](C)CCN1c2ccccc2CSc2ccc(Cl)cc21 ZINC000584602612 337371101 /nfs/dbraw/zinc/37/11/01/337371101.db2.gz PONJWCSFOKEULK-UHFFFAOYSA-N 1 0 318.873 4.645 10 0 DJAERO CC[NH+](CC)CCC[C@H](C)Nc1cc(OC)cc2ccccc21 ZINC000584615884 337372913 /nfs/dbraw/zinc/37/29/13/337372913.db2.gz RVUREKOFSMCINI-INIZCTEOSA-N 1 0 314.473 4.771 10 0 DJAERO [NH3+][C@@H](c1cc(Cl)ccc1N1CCCCC1)C1CCCCC1 ZINC000584595300 337373994 /nfs/dbraw/zinc/37/39/94/337373994.db2.gz BIQLVIFUKCBIKA-GOSISDBHSA-N 1 0 306.881 4.910 10 0 DJAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1csc(Br)c1 ZINC000035251250 337741828 /nfs/dbraw/zinc/74/18/28/337741828.db2.gz OZLGQANQZUGTFT-LLVKDONJSA-N 1 0 310.260 4.670 10 0 DJAERO CC1(C)C[C@H]([NH2+]Cc2ccc(Cl)s2)c2ccccc2O1 ZINC000152994832 338215337 /nfs/dbraw/zinc/21/53/37/338215337.db2.gz WDZZFUNYPKVMQH-ZDUSSCGKSA-N 1 0 307.846 4.794 10 0 DJAERO Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(F)c1Br ZINC000156725288 338381721 /nfs/dbraw/zinc/38/17/21/338381721.db2.gz AWRXDRCGNSNCRJ-LBPRGKRZSA-N 1 0 322.221 4.747 10 0 DJAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1cc(Cl)sc1Cl ZINC000467454210 339239597 /nfs/dbraw/zinc/23/95/97/339239597.db2.gz IDMJWVAODWSRDZ-OPRDCNLKSA-N 1 0 322.301 4.909 10 0 DJAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000503562697 340130715 /nfs/dbraw/zinc/13/07/15/340130715.db2.gz LYWUUNUGRISVHA-IJLUTSLNSA-N 1 0 316.272 4.848 10 0 DJAERO OCCCCCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306294934 340394981 /nfs/dbraw/zinc/39/49/81/340394981.db2.gz YJWIDOIYAHKPHS-UHFFFAOYSA-N 1 0 311.469 4.632 10 0 DJAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccccc1C)CCS2 ZINC000191486365 340554743 /nfs/dbraw/zinc/55/47/43/340554743.db2.gz IHYDYTGCSIBESO-KSSFIOAISA-N 1 0 313.466 4.891 10 0 DJAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)c(F)c1 ZINC000037219257 340774962 /nfs/dbraw/zinc/77/49/62/340774962.db2.gz XUYUCJDKSATYHZ-NWDGAFQWSA-N 1 0 307.796 4.900 10 0 DJAERO CCc1ncc(C[NH2+][C@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000037924160 340788420 /nfs/dbraw/zinc/78/84/20/340788420.db2.gz HSNUUQGVFVAMFO-CQSZACIVSA-N 1 0 302.487 4.755 10 0 DJAERO CCCOc1cccc(C[NH2+][C@H](C)c2cccc(Cl)c2)c1 ZINC000037996737 340788910 /nfs/dbraw/zinc/78/89/10/340788910.db2.gz WSIHNKQMAFPUAY-CQSZACIVSA-N 1 0 303.833 4.980 10 0 DJAERO C[C@H]([NH2+]Cc1csc(-c2ccc(F)cc2)n1)C1CCCC1 ZINC000070306167 340993261 /nfs/dbraw/zinc/99/32/61/340993261.db2.gz RMHOUTJQJGWKIT-LBPRGKRZSA-N 1 0 304.434 4.618 10 0 DJAERO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000163101169 341494737 /nfs/dbraw/zinc/49/47/37/341494737.db2.gz DABHTCYURDFWDK-CZUORRHYSA-N 1 0 301.455 4.571 10 0 DJAERO CC(C)(C)C[NH2+]Cc1ccc(Br)c2ccccc12 ZINC000085391743 518671137 /nfs/dbraw/zinc/67/11/37/518671137.db2.gz XBCABSKLDOJSSK-UHFFFAOYSA-N 1 0 306.247 4.738 10 0 DJAERO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)c1 ZINC000180230659 519749076 /nfs/dbraw/zinc/74/90/76/519749076.db2.gz KKHVRWOFXAOBNB-WIEQDCTASA-N 1 0 322.452 4.538 10 0 DJAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccs1)CCS2 ZINC000191486818 525579703 /nfs/dbraw/zinc/57/97/03/525579703.db2.gz VBANGDRARJOLIP-FZMZJTMJSA-N 1 0 305.468 4.644 10 0 DJAERO C[C@@H]([NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)c1cccnc1 ZINC000158564025 525631011 /nfs/dbraw/zinc/63/10/11/525631011.db2.gz QXYYONPYMTUHHQ-CRAIPNDOSA-N 1 0 308.425 4.569 10 0 DJAERO CCCCOCCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000013720105 563387436 /nfs/dbraw/zinc/38/74/36/563387436.db2.gz NRVLUSAKBRCLSZ-UHFFFAOYSA-N 1 0 321.848 4.896 10 0 DJAERO CS[C@@H](C)CC[N@H+](Cc1sccc1C)Cc1ccccn1 ZINC000055109316 563471921 /nfs/dbraw/zinc/47/19/21/563471921.db2.gz FCFZAVOXXWLUNX-HNNXBMFYSA-N 1 0 320.527 4.595 10 0 DJAERO Clc1ccc(CC[NH2+]Cc2ccccc2Cl)c(Cl)c1 ZINC000020006418 563678582 /nfs/dbraw/zinc/67/85/82/563678582.db2.gz OMTQRFRTDNZZEV-UHFFFAOYSA-N 1 0 314.643 4.979 10 0 DJAERO CC[NH+](CC)C[C@@H](Oc1ccc2ccccc2n1)c1ccccc1 ZINC000048524014 563698582 /nfs/dbraw/zinc/69/85/82/563698582.db2.gz AZLYPGZASIQFTA-HXUWFJFHSA-N 1 0 320.436 4.697 10 0 DJAERO CC[NH+](CC)C[C@H](Oc1ccc2ccccc2n1)c1ccccc1 ZINC000048524013 563698730 /nfs/dbraw/zinc/69/87/30/563698730.db2.gz AZLYPGZASIQFTA-FQEVSTJZSA-N 1 0 320.436 4.697 10 0 DJAERO CC[N@@H+](Cc1cccc(Cl)c1Br)CC(C)C ZINC000669378379 563869646 /nfs/dbraw/zinc/86/96/46/563869646.db2.gz CAIIYXKWQHYTET-UHFFFAOYSA-N 1 0 304.659 4.580 10 0 DJAERO