smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]Cc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000095627251 185382741 /nfs/dbraw/zinc/38/27/41/185382741.db2.gz UQEVLCBMRCKHMM-UHFFFAOYSA-N 1 0 301.695 4.610 50 0 DJAARO C[C@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1ccnc(Cl)c1 ZINC000163382094 197627550 /nfs/dbraw/zinc/62/75/50/197627550.db2.gz OPXQPEKJCVWJNK-GJZGRUSLSA-N 1 0 318.848 4.554 50 0 DJAARO Cc1cc(C[NH2+][C@H]2CCc3ccccc32)cc(C)c1OC(F)F ZINC000096991692 185395310 /nfs/dbraw/zinc/39/53/10/185395310.db2.gz ZFELVPDDCTXTDF-KRWDZBQOSA-N 1 0 317.379 4.682 50 0 DJAARO Cc1ccc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)cc1C ZINC000096997162 185395664 /nfs/dbraw/zinc/39/56/64/185395664.db2.gz RFAVTWCEQIJAOW-IBGZPJMESA-N 1 0 307.441 4.667 50 0 DJAARO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccncc2)c2ccccc12 ZINC000095419208 185359874 /nfs/dbraw/zinc/35/98/74/185359874.db2.gz NGJYDIVEKYFKEB-HUUCEWRRSA-N 1 0 306.409 4.655 50 0 DJAARO CC(C)n1cc([C@H](C)[NH2+][C@H](c2cc(F)ccc2F)C2CC2)cn1 ZINC000095423505 185361126 /nfs/dbraw/zinc/36/11/26/185361126.db2.gz OJHHHJACNCQITD-SGTLLEGYSA-N 1 0 319.399 4.544 50 0 DJAARO CCSc1ccc([C@H](C)[NH2+][C@@H](C)c2cnc(C)nc2C)cc1 ZINC000097016779 185397586 /nfs/dbraw/zinc/39/75/86/185397586.db2.gz DMXLWUAZHUNNIX-STQMWFEESA-N 1 0 315.486 4.617 50 0 DJAARO C[NH+](C)CCCCCCOC(c1ccccc1)c1ccccc1 ZINC000071767155 191029483 /nfs/dbraw/zinc/02/94/83/191029483.db2.gz APCSIFOPIXWZKE-UHFFFAOYSA-N 1 0 311.469 4.915 50 0 DJAARO CC(C)(C)c1cs[n+](-c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000000383883 180772816 /nfs/dbraw/zinc/77/28/16/180772816.db2.gz JUXOEJDDFWFREB-UHFFFAOYSA-N 1 0 322.668 4.678 50 0 DJAARO [NH3+]CCSc1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000002455197 180924141 /nfs/dbraw/zinc/92/41/41/180924141.db2.gz VDCABYZFTPNRFV-UHFFFAOYSA-N 1 0 302.830 4.539 50 0 DJAARO CCc1cc(OCCC[N@H+](C)Cc2ccccc2)ccc1Cl ZINC000002825046 180961532 /nfs/dbraw/zinc/96/15/32/180961532.db2.gz DZSCDIGYHXMYGU-UHFFFAOYSA-N 1 0 317.860 4.803 50 0 DJAARO Cc1cccc(C)c1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000004184886 181083009 /nfs/dbraw/zinc/08/30/09/181083009.db2.gz XRSXJVVASYWXFM-UHFFFAOYSA-N 1 0 322.452 4.542 50 0 DJAARO Clc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]Cc1ccccc1 ZINC000004350540 181100934 /nfs/dbraw/zinc/10/09/34/181100934.db2.gz KKJXCUTZQUGEGJ-SFHVURJKSA-N 1 0 310.828 4.989 50 0 DJAARO C[C@H]1CCC[N@H+](CCOc2cccc(Oc3ccccc3)c2)C1 ZINC000004907169 181171383 /nfs/dbraw/zinc/17/13/83/181171383.db2.gz JBSPVQWXYLGOFN-KRWDZBQOSA-N 1 0 311.425 4.590 50 0 DJAARO CC(C)(C)c1cc(C[NH+]2CCSCC2)cc(C(C)(C)C)c1O ZINC000005284261 181226406 /nfs/dbraw/zinc/22/64/06/181226406.db2.gz IJOMJNCIGIMQFL-UHFFFAOYSA-N 1 0 321.530 4.536 50 0 DJAARO CCCc1[nH+]c2c(c3[nH]c4ccccc4c31)[C@H](O)CC(C)(C)C2 ZINC000005904212 181294825 /nfs/dbraw/zinc/29/48/25/181294825.db2.gz GAXQYQOOCOXVFU-MRXNPFEDSA-N 1 0 308.425 4.674 50 0 biogenic DJAARO CC[C@H](c1ccccc1)[NH+]1CCC(c2ccnc(C(C)C)n2)CC1 ZINC000089947887 192917494 /nfs/dbraw/zinc/91/74/94/192917494.db2.gz UIUJUIANKTZTOE-HXUWFJFHSA-N 1 0 323.484 4.931 50 0 DJAARO Cc1cccc(C)c1OCCCCCC[NH2+]Cc1ccco1 ZINC000006524368 181349449 /nfs/dbraw/zinc/34/94/49/181349449.db2.gz QAWXKFBOMJIBMS-UHFFFAOYSA-N 1 0 301.430 4.625 50 0 DJAARO Cc1cccc(CNc2[nH+]cc(-c3cccc(Cl)c3)n2C)c1 ZINC000006607634 181360846 /nfs/dbraw/zinc/36/08/46/181360846.db2.gz GMEKBQNQWFXQBI-UHFFFAOYSA-N 1 0 311.816 4.661 50 0 DJAARO c1ccc(SCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000006719357 181376385 /nfs/dbraw/zinc/37/63/85/181376385.db2.gz OKQKJELGHSNSRH-LJQANCHMSA-N 1 0 312.482 4.791 50 0 DJAARO FC(F)(F)c1ccccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000019720455 182138653 /nfs/dbraw/zinc/13/86/53/182138653.db2.gz FFOURFHWMCAOSB-UHFFFAOYSA-N 1 0 318.342 4.519 50 0 biogenic DJAARO CC[NH+](CC)c1ccc(NCCOc2ccc(C)c(C)c2)cc1 ZINC000019738574 182141393 /nfs/dbraw/zinc/14/13/93/182141393.db2.gz JKCNBBYLQFHJIK-UHFFFAOYSA-N 1 0 312.457 4.641 50 0 DJAARO C[C@H]1CCCC[C@H]1[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000019889533 182160833 /nfs/dbraw/zinc/16/08/33/182160833.db2.gz OWTCJCWCRNISDS-PGRDOPGGSA-N 1 0 322.496 4.536 50 0 DJAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1Cl ZINC000021720984 182286470 /nfs/dbraw/zinc/28/64/70/182286470.db2.gz AJPLNYVDTAHJJP-HNNXBMFYSA-N 1 0 304.821 4.536 50 0 DJAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000021720974 182286740 /nfs/dbraw/zinc/28/67/40/182286740.db2.gz WQFILYHPRQVSNA-OAHLLOKOSA-N 1 0 304.821 4.536 50 0 DJAARO C[NH+](C)CC[C@H](Oc1cccc2ccccc21)c1cccs1 ZINC000021985983 182301350 /nfs/dbraw/zinc/30/13/50/182301350.db2.gz JFTURWWGPMTABQ-SFHVURJKSA-N 1 0 311.450 4.973 50 0 in-vitro DJAARO COc1ccc(C[NH2+][C@@H](C)c2cccc3ccccc32)c(OC)c1 ZINC000022787533 182334615 /nfs/dbraw/zinc/33/46/15/182334615.db2.gz PNYXMFBAZQFVCE-HNNXBMFYSA-N 1 0 321.420 4.708 50 0 DJAARO c1ccc2sc(NCc3ccccc3C[NH+]3CCCC3)nc2c1 ZINC000040004995 183027520 /nfs/dbraw/zinc/02/75/20/183027520.db2.gz KBRNJCIBOROBDF-UHFFFAOYSA-N 1 0 323.465 4.504 50 0 DJAARO COc1cccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)c1OC ZINC000040088637 183032512 /nfs/dbraw/zinc/03/25/12/183032512.db2.gz HPHJMIQNPKDFRK-IBGZPJMESA-N 1 0 313.441 4.581 50 0 DJAARO COc1cccc(C[NH2+][C@H](c2ccccc2)C(C)(C)C)c1OC ZINC000040088636 183032724 /nfs/dbraw/zinc/03/27/24/183032724.db2.gz HPHJMIQNPKDFRK-LJQANCHMSA-N 1 0 313.441 4.581 50 0 DJAARO O=C(c1c[nH]c2ccccc12)[C@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000057392048 184036886 /nfs/dbraw/zinc/03/68/86/184036886.db2.gz JTHWPXMACDTQMJ-HXUWFJFHSA-N 1 0 318.420 4.624 50 0 DJAARO Cc1cccc2cc(C[NH2+][C@H](C)Cc3ccco3)c(Cl)nc12 ZINC000058098843 184075030 /nfs/dbraw/zinc/07/50/30/184075030.db2.gz LINXJGRLFANCEH-CYBMUJFWSA-N 1 0 314.816 4.510 50 0 DJAARO C[C@@H](C(=O)c1c[nH]c2ccccc21)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000058160439 184082160 /nfs/dbraw/zinc/08/21/60/184082160.db2.gz JEFSJEFTKOZECG-SUMWQHHRSA-N 1 0 324.449 4.638 50 0 DJAARO CCCCn1nc(C)c(C[NH2+]C[C@@H](C)c2ccccc2)c1Cl ZINC000061013314 184159475 /nfs/dbraw/zinc/15/94/75/184159475.db2.gz DOTNOCQDZXTLCN-CQSZACIVSA-N 1 0 319.880 4.538 50 0 DJAARO Clc1ccc2c(c1)C(Cl)=C(C[NH+]1CCCCC1)CS2 ZINC000063608836 184285837 /nfs/dbraw/zinc/28/58/37/184285837.db2.gz SRSYIBIWBLMZKN-UHFFFAOYSA-N 1 0 314.281 4.882 50 0 DJAARO Cc1cccc(C)c1-c1c(-c2ccccc2)ncn1CCCC[NH3+] ZINC000065396168 184334949 /nfs/dbraw/zinc/33/49/49/184334949.db2.gz JVSVKLMFZIFVMD-UHFFFAOYSA-N 1 0 319.452 4.573 50 0 DJAARO CCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1C ZINC000239274823 256601368 /nfs/dbraw/zinc/60/13/68/256601368.db2.gz ASKDBXWNERMDNU-MPMRWZLSSA-N 1 0 323.480 4.876 50 0 DJAARO C[C@@H](c1ccc(-c2cc(F)ccc2Cl)cc1)[NH+]1CCOCC1 ZINC000426697549 257244222 /nfs/dbraw/zinc/24/42/22/257244222.db2.gz NVSLVZPCZFRQNO-ZDUSSCGKSA-N 1 0 319.807 4.539 50 0 DJAARO Cc1nc2ccccc2c(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)n1 ZINC000426526006 257247672 /nfs/dbraw/zinc/24/76/72/257247672.db2.gz HNXFQKDPTVSMFA-HNNXBMFYSA-N 1 0 317.436 4.762 50 0 DJAARO CCC[NH+]1CCC(Nc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000003684151 331483112 /nfs/dbraw/zinc/48/31/12/331483112.db2.gz DIQJSVFSMHOTOY-UHFFFAOYSA-N 1 0 324.468 4.649 50 0 DJAARO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1oc(C(C)C)nc1C ZINC000428950591 338066251 /nfs/dbraw/zinc/06/62/51/338066251.db2.gz FSHXEKKLJUUORW-KRWDZBQOSA-N 1 0 316.445 4.698 50 0 DJAARO Cc1cc(C)c(OCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000002823367 563912993 /nfs/dbraw/zinc/91/29/93/563912993.db2.gz NAQIZGMKQAIMPZ-CALCHBBNSA-N 1 0 303.490 4.749 50 0 DJAARO Cc1cc(C)c(OCCCC[NH+]2CCC(C)CC2)c(Cl)c1 ZINC000002954179 563318269 /nfs/dbraw/zinc/31/82/69/563318269.db2.gz NJHACIUXBNTQIE-UHFFFAOYSA-N 1 0 309.881 4.848 50 0 DJAARO COc1ccc2c(c1)C[N@@H+](C)C[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000029230278 563433591 /nfs/dbraw/zinc/43/35/91/563433591.db2.gz ZJDCGVDEEHWEIG-HNNXBMFYSA-N 1 0 322.235 4.579 50 0 in-man DJAARO Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)[NH+]1CCC(C)CC1 ZINC000000075324 563214079 /nfs/dbraw/zinc/21/40/79/563214079.db2.gz RZDXRUNALPTURU-OAQYLSRUSA-N 1 0 319.452 4.693 50 0 DJAARO COc1ccccc1C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000000135962 563222335 /nfs/dbraw/zinc/22/23/35/563222335.db2.gz RMNBYKGNVOZKMR-UHFFFAOYSA-N 1 0 315.844 4.728 50 0 DJAARO C[NH+](C)CC/C=C1/c2ccccc2SCc2ccc(F)cc21 ZINC000000347696 563243061 /nfs/dbraw/zinc/24/30/61/563243061.db2.gz BJWIODCFNLUSQT-APSNUPSMSA-N 1 0 313.441 4.815 50 0 DJAARO COc1ccccc1/C=C/C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000001229218 563279871 /nfs/dbraw/zinc/27/98/71/563279871.db2.gz RRYYAESZRUNKNP-YRNVUSSQSA-N 1 0 321.464 4.663 50 0 DJAARO Clc1cccc(OCCCCC[NH+]2CCCC2)c1Cl ZINC000002183542 563301474 /nfs/dbraw/zinc/30/14/74/563301474.db2.gz OLSOCBDPASNCSY-UHFFFAOYSA-N 1 0 302.245 4.638 50 0 DJAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1Cl ZINC000002514519 563305481 /nfs/dbraw/zinc/30/54/81/563305481.db2.gz HHWNXGOEMLHMNO-UHFFFAOYSA-N 1 0 313.828 4.557 50 0 DJAARO Cc1cccc(C)c1C(=O)c1ccccc1C[NH+]1CCCCC1 ZINC000002515511 563306240 /nfs/dbraw/zinc/30/62/40/563306240.db2.gz CURHQLNSGHLEKH-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO O=C(c1cccc(Cl)c1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515504 563306308 /nfs/dbraw/zinc/30/63/08/563306308.db2.gz MAHFKHLTIYIZHX-UHFFFAOYSA-N 1 0 313.828 4.557 50 0 DJAARO CC1CC[NH+](CCCCOc2cc(Cl)ccc2Cl)CC1 ZINC000002954466 563318350 /nfs/dbraw/zinc/31/83/50/563318350.db2.gz ILBADGBWYZHWOJ-UHFFFAOYSA-N 1 0 316.272 4.884 50 0 DJAARO COc1ccccc1CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000002498521 563321334 /nfs/dbraw/zinc/32/13/34/563321334.db2.gz ZQLPZOJQEIXLDE-UHFFFAOYSA-N 1 0 309.453 4.554 50 0 DJAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000008325946 563345908 /nfs/dbraw/zinc/34/59/08/563345908.db2.gz CMCBSRZFNMOMNG-CYBMUJFWSA-N 1 0 321.823 4.946 50 0 DJAARO Cc1[nH]c2ccccc2c(=O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008662402 563348403 /nfs/dbraw/zinc/34/84/03/563348403.db2.gz FNTCDBLZRDMCFV-BTYIYWSLSA-N 1 0 324.468 4.649 50 0 DJAARO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CC(C)(C)C)C2)c1 ZINC000011912227 563360235 /nfs/dbraw/zinc/36/02/35/563360235.db2.gz QSMHNWVVRZTMSL-QGZVFWFLSA-N 1 0 311.473 4.611 50 0 DJAARO COc1cccc2cc(C[NH2+][C@H](C)c3ccc(F)c(F)c3)oc21 ZINC000032740418 563388639 /nfs/dbraw/zinc/38/86/39/563388639.db2.gz PYEGTUXAXNELGX-LLVKDONJSA-N 1 0 317.335 4.570 50 0 DJAARO Clc1ccccc1Cn1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000028428336 563432095 /nfs/dbraw/zinc/43/20/95/563432095.db2.gz VJQWPYHDINEZPK-UHFFFAOYSA-N 1 0 310.828 4.595 50 0 DJAARO C[N@H+](Cc1ccc(F)c2cccnc12)[C@H]1CCCc2ccccc21 ZINC000029702587 563435536 /nfs/dbraw/zinc/43/55/36/563435536.db2.gz BXWOZYUCQOIIRN-FQEVSTJZSA-N 1 0 320.411 4.883 50 0 DJAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087320 563444358 /nfs/dbraw/zinc/44/43/58/563444358.db2.gz FKOBIOVFDIBBQD-QGZVFWFLSA-N 1 0 301.455 4.874 50 0 DJAARO CCOc1ccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc1 ZINC000002498132 563448972 /nfs/dbraw/zinc/44/89/72/563448972.db2.gz PFGBKUULQYKXNU-UHFFFAOYSA-N 1 0 319.448 4.646 50 0 DJAARO CCCCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000002907788 563449566 /nfs/dbraw/zinc/44/95/66/563449566.db2.gz AMMZQPZCGAOENQ-OAQYLSRUSA-N 1 0 324.468 4.988 50 0 DJAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000035511300 563453467 /nfs/dbraw/zinc/45/34/67/563453467.db2.gz ADEVYAZOQULSKU-SFHVURJKSA-N 1 0 314.429 4.534 50 0 DJAARO CC(C)c1ccc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1 ZINC000055142297 563471859 /nfs/dbraw/zinc/47/18/59/563471859.db2.gz DBACTWQDWZOLJN-NRFANRHFSA-N 1 0 302.421 4.793 50 0 DJAARO C=Cc1ccc(Oc2cc(C[NH+]3CCCC3)ccc2OC)cc1 ZINC000067842407 563492405 /nfs/dbraw/zinc/49/24/05/563492405.db2.gz KQAMUXDZRIVDIZ-UHFFFAOYSA-N 1 0 309.409 4.726 50 0 DJAARO CCCOc1ccc(N[N+](=O)c2ccc(OCCC)cc2)cc1 ZINC000098045315 563517309 /nfs/dbraw/zinc/51/73/09/563517309.db2.gz AEKJDZXNHWRZEG-UHFFFAOYSA-N 1 0 315.393 4.702 50 0 DJAARO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000101080428 563556211 /nfs/dbraw/zinc/55/62/11/563556211.db2.gz XGRXZYRAXFHXCA-PWRODBHTSA-N 1 0 309.453 4.518 50 0 DJAARO CC[C@H](C)C[NH+]1CCC(c2n[nH]cc2-c2ccccc2C)CC1 ZINC000011784814 563599271 /nfs/dbraw/zinc/59/92/71/563599271.db2.gz SDPCTACVTSEQKS-HNNXBMFYSA-N 1 0 311.473 4.611 50 0 DJAARO CC[C@H](C)[NH2+]CCCOc1c(Cl)cc(Cl)cc1Cl ZINC000002822525 563621571 /nfs/dbraw/zinc/62/15/71/563621571.db2.gz OVSABLAPZKRBIS-VIFPVBQESA-N 1 0 310.652 4.804 50 0 DJAARO CC(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000010436032 563649070 /nfs/dbraw/zinc/64/90/70/563649070.db2.gz MLKVXTXIVHXSDU-UHFFFAOYSA-N 1 0 307.796 4.556 50 0 DJAARO c1cc([C@@H]2CCCN2Cc2ncc(-c3ccccc3)o2)cs1 ZINC000048234750 563693388 /nfs/dbraw/zinc/69/33/88/563693388.db2.gz JNGYMEVZOOQQBK-INIZCTEOSA-N 1 0 310.422 4.740 50 0 DJAARO COc1ccc(OC)c(C[NH2+][C@@H](C)c2cccc3ccccc32)c1 ZINC000025364060 563726725 /nfs/dbraw/zinc/72/67/25/563726725.db2.gz IOTMGINWJQENIO-HNNXBMFYSA-N 1 0 321.420 4.708 50 0 DJAARO CC1(C)C[C@H]([NH2+]CCC2(Cc3ccccc3)CCCC2)CCO1 ZINC000032100973 563811502 /nfs/dbraw/zinc/81/15/02/563811502.db2.gz LJNQMQFMKZBYAQ-LJQANCHMSA-N 1 0 315.501 4.727 50 0 DJAARO CCC[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000084740773 563830745 /nfs/dbraw/zinc/83/07/45/563830745.db2.gz SXSWLKUQIYJNSH-KBPBESRZSA-N 1 0 319.474 4.761 50 0 DJAARO Clc1ccc([C@@H]([NH2+]Cc2cc[nH]c2)c2cccs2)cc1 ZINC000086251173 563845106 /nfs/dbraw/zinc/84/51/06/563845106.db2.gz IYXRDROEUPLFEY-MRXNPFEDSA-N 1 0 302.830 4.609 50 0 DJAARO Cc1cc([C@H]([NH2+]Cc2nc(C)c(C)s2)C(C)C)c(C)s1 ZINC000091731442 563879080 /nfs/dbraw/zinc/87/90/80/563879080.db2.gz FAKVPWRRRKVPST-MRXNPFEDSA-N 1 0 308.516 4.925 50 0 DJAARO CCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H]1C ZINC000239338980 563879936 /nfs/dbraw/zinc/87/99/36/563879936.db2.gz LNIGRARLURFSQQ-OTNPHJDUSA-N 1 0 309.453 4.630 50 0 DJAARO CC[N@H+](Cc1cccn1Cc1ccc(F)cc1)C1CCCCC1 ZINC000035840992 563889549 /nfs/dbraw/zinc/88/95/49/563889549.db2.gz LHCHQKGQQPPTCS-UHFFFAOYSA-N 1 0 314.448 4.830 50 0 DJAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)c1ccccc1 ZINC000036098914 563893993 /nfs/dbraw/zinc/89/39/93/563893993.db2.gz JYMONHZDXRAYTG-RXVVDRJESA-N 1 0 311.469 4.638 50 0 DJAARO C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000036389919 563897947 /nfs/dbraw/zinc/89/79/47/563897947.db2.gz PZMKRRTWCFWTMK-ZBFHGGJFSA-N 1 0 324.399 4.908 50 0 DJAARO NC(=[NH2+])S[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000006931581 563899809 /nfs/dbraw/zinc/89/98/09/563899809.db2.gz VELWSABJUICTET-AWEZNQCLSA-N 1 0 320.870 4.715 50 0 DJAARO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCCCCC1 ZINC000007378129 563905489 /nfs/dbraw/zinc/90/54/89/563905489.db2.gz GNTNPPOGASELDA-QGZVFWFLSA-N 1 0 322.452 4.557 50 0 DJAARO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCc1cccs1 ZINC000037211924 563906581 /nfs/dbraw/zinc/90/65/81/563906581.db2.gz FPIKDDSNVZOSOZ-LLVKDONJSA-N 1 0 308.516 4.704 50 0 DJAARO Cc1ccc(C(C)C)c(OCCC[NH2+]CCc2ccccc2)c1 ZINC000002825262 563913094 /nfs/dbraw/zinc/91/30/94/563913094.db2.gz FOHZWEGWOIUFJS-UHFFFAOYSA-N 1 0 311.469 4.720 50 0 DJAARO CC[N@H+](C)Cc1cncc(-c2ccc(-c3ccccc3)cc2)c1 ZINC000037553850 563918748 /nfs/dbraw/zinc/91/87/48/563918748.db2.gz ZUYHFXCKHPPLSY-UHFFFAOYSA-N 1 0 302.421 4.867 50 0 DJAARO COc1ccc(C[NH2+]CC[C@@H](c2ccco2)c2ccccc2)cc1 ZINC000002292180 563925573 /nfs/dbraw/zinc/92/55/73/563925573.db2.gz PKDSRYXGTQMNPP-HXUWFJFHSA-N 1 0 321.420 4.600 50 0 DJAARO Cc1c([C@H]2[C@@H](CC[NH3+])C2(C)C)c2ccc3ccccc3c2n1C ZINC000002450744 563929000 /nfs/dbraw/zinc/92/90/00/563929000.db2.gz QURQMAIZWUYVAP-IEBWSBKVSA-N 1 0 306.453 4.728 50 0 DJAARO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(Cl)s1 ZINC000095968363 563933273 /nfs/dbraw/zinc/93/32/73/563933273.db2.gz FVEZKNAYLZWNMC-OCCSQVGLSA-N 1 0 309.862 4.566 50 0 DJAARO Cc1ccc(C(C)C)cc1C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000096026666 563935055 /nfs/dbraw/zinc/93/50/55/563935055.db2.gz DJHFOYSDBPPELB-UHFFFAOYSA-N 1 0 323.480 4.602 50 0 DJAARO Cc1ccc([C@@H](SCC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000096026420 563935109 /nfs/dbraw/zinc/93/51/09/563935109.db2.gz SWJSVZYJGLOFSC-FQEVSTJZSA-N 1 0 311.494 4.913 50 0 DJAARO CC1(C)C[C@H]([NH2+]CCC2(c3ccccc3)CCCCC2)CCO1 ZINC000032094402 563945301 /nfs/dbraw/zinc/94/53/01/563945301.db2.gz SJBWMHRBYVIQDU-LJQANCHMSA-N 1 0 315.501 4.826 50 0 DJAARO CC(C)(CC[NH2+]C[C@@H]1CCOC(C)(C)C1)Cc1ccc(F)cc1 ZINC000032094282 563945355 /nfs/dbraw/zinc/94/53/55/563945355.db2.gz TYJICKXXIBVSET-QGZVFWFLSA-N 1 0 321.480 4.579 50 0 DJAARO Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000008268525 563947483 /nfs/dbraw/zinc/94/74/83/563947483.db2.gz XNDVYZLSBLVSLY-KRWDZBQOSA-N 1 0 308.450 4.942 50 0 DJAARO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccncc2)c2ccccc12 ZINC000095419207 185359726 /nfs/dbraw/zinc/35/97/26/185359726.db2.gz NGJYDIVEKYFKEB-LSDHHAIUSA-N 1 0 306.409 4.655 50 0 DJAARO C[C@@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)c1cncc(F)c1 ZINC000095421079 185360582 /nfs/dbraw/zinc/36/05/82/185360582.db2.gz OGYJXZRTULVSHY-BMIGLBTASA-N 1 0 322.836 4.762 50 0 DJAARO CCSc1ccc([C@H](C)[NH2+][C@H](C)c2cnc(C)nc2C)cc1 ZINC000097016785 185397609 /nfs/dbraw/zinc/39/76/09/185397609.db2.gz DMXLWUAZHUNNIX-QWHCGFSZSA-N 1 0 315.486 4.617 50 0 DJAARO Cc1[nH+]c(/C=C\c2nc3cc(C)ccc3s2)c2ccccn12 ZINC000097029958 185399009 /nfs/dbraw/zinc/39/90/09/185399009.db2.gz LXOUTUUCJUVOES-CLFYSBASSA-N 1 0 305.406 4.731 50 0 DJAARO Cc1cnc(CC[NH2+][C@H](C)c2ccc(OC(C)(C)C)cc2)s1 ZINC000097143466 185415537 /nfs/dbraw/zinc/41/55/37/185415537.db2.gz UGFVBTPDFLHBLN-CQSZACIVSA-N 1 0 318.486 4.522 50 0 DJAARO c1ccc2c(c1)oc1c2cccc1C[NH+]1CC(c2cccnc2)C1 ZINC000072135288 191047024 /nfs/dbraw/zinc/04/70/24/191047024.db2.gz FKDDHJATVXSIOT-UHFFFAOYSA-N 1 0 314.388 4.580 50 0 DJAARO Fc1ccc([C@H]([NH2+]Cc2ccnc(Cl)c2)C2CCC2)cc1 ZINC000072273965 191095826 /nfs/dbraw/zinc/09/58/26/191095826.db2.gz WEZQVQWDVLJGAZ-QGZVFWFLSA-N 1 0 304.796 4.505 50 0 DJAARO C[C@@H](Nc1ccc(Cl)c(C[NH+](C)C)c1)c1cccc(F)c1 ZINC000225604927 186282572 /nfs/dbraw/zinc/28/25/72/186282572.db2.gz JGXVHHFLKUBBFG-GFCCVEGCSA-N 1 0 306.812 4.714 50 0 DJAARO Cc1c(Cl)ccc(OCCC[NH2+]Cc2ccccc2)c1C ZINC000002822978 180962081 /nfs/dbraw/zinc/96/20/81/180962081.db2.gz AMVPPIYHUJVWDU-UHFFFAOYSA-N 1 0 303.833 4.516 50 0 DJAARO CCC[C@@]1(c2cccc(OC)c2)CC[N@H+](CCc2ccccc2)C1 ZINC000003634815 181042964 /nfs/dbraw/zinc/04/29/64/181042964.db2.gz GUNPVEYXZXMUHW-JOCHJYFZSA-N 1 0 323.480 4.682 50 0 DJAARO c1ccc([C@H]2C3=C(CCCC3)[N@H+]3CCO[C@@]34CCCC[C@@H]24)cc1 ZINC000004027512 181064172 /nfs/dbraw/zinc/06/41/72/181064172.db2.gz BERGZMFIKZYZDE-SESVDKBCSA-N 1 0 309.453 4.831 50 0 biogenic DJAARO COc1ccc(-c2cc(N3CCCC3)c3ccccc3[nH+]2)cc1 ZINC000004542889 181122525 /nfs/dbraw/zinc/12/25/25/181122525.db2.gz IYRACWCAJQOXTB-UHFFFAOYSA-N 1 0 304.393 4.511 50 0 DJAARO c1ccc2c(c1)cccc2CN1CCC([NH+]2CCCCCC2)CC1 ZINC000004703436 181139660 /nfs/dbraw/zinc/13/96/60/181139660.db2.gz IRIARZJHHKYNOG-UHFFFAOYSA-N 1 0 322.496 4.680 50 0 DJAARO Cc1cc(C)cc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000004778463 181151323 /nfs/dbraw/zinc/15/13/23/181151323.db2.gz XINKOHLIHAKPIT-UHFFFAOYSA-N 1 0 322.452 4.542 50 0 DJAARO [NH3+]CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004958385 181180011 /nfs/dbraw/zinc/18/00/11/181180011.db2.gz XZOWICPSVWHCTC-UHFFFAOYSA-N 1 0 319.473 4.670 50 0 DJAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000004989532 181186162 /nfs/dbraw/zinc/18/61/62/181186162.db2.gz GKMDSBTTYAUGLM-LBPRGKRZSA-N 1 0 324.251 4.810 50 0 DJAARO c1ccc(Oc2cccc(OCCC[NH2+]C3CCCC3)c2)cc1 ZINC000005013433 181190590 /nfs/dbraw/zinc/19/05/90/181190590.db2.gz ZIVDNSSDYPBVAK-UHFFFAOYSA-N 1 0 311.425 4.780 50 0 DJAARO CCOc1cc(C[NH2+]C(C)(C)C)ccc1OCc1cccs1 ZINC000005019606 181191466 /nfs/dbraw/zinc/19/14/66/181191466.db2.gz GBUOOOZXVXATJP-UHFFFAOYSA-N 1 0 319.470 4.614 50 0 DJAARO C[C@H](c1nc2ccccc2n1Cc1ccccc1)[NH+]1CCCCC1 ZINC000005235835 181219699 /nfs/dbraw/zinc/21/96/99/181219699.db2.gz ZPVXOYCFXQVDEF-QGZVFWFLSA-N 1 0 319.452 4.632 50 0 DJAARO c1cc[n+](CCCCn2c3ccccc3c3ccccc32)cc1 ZINC000005521145 181253176 /nfs/dbraw/zinc/25/31/76/181253176.db2.gz VPAUFMBEUVTOMD-UHFFFAOYSA-N 1 0 301.413 4.562 50 0 DJAARO CC(C)c1ccc(CNc2[nH+]cc(-c3ccccc3)n2C)cc1 ZINC000006024137 181307214 /nfs/dbraw/zinc/30/72/14/181307214.db2.gz XAQOOOMEMNPHRP-UHFFFAOYSA-N 1 0 305.425 4.823 50 0 DJAARO Cc1ccc2[nH]cc([C@H](C[NH3+])c3ccc(C(F)(F)F)cc3)c2c1 ZINC000091690197 193091762 /nfs/dbraw/zinc/09/17/62/193091762.db2.gz SIBVTXTTWKRSGV-OAHLLOKOSA-N 1 0 318.342 4.586 50 0 DJAARO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCCCCCC2)cc1 ZINC000007016529 181432107 /nfs/dbraw/zinc/43/21/07/181432107.db2.gz BGDLAQISEQKDBE-UHFFFAOYSA-N 1 0 322.452 4.705 50 0 DJAARO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000222112925 201602341 /nfs/dbraw/zinc/60/23/41/201602341.db2.gz WYEPLTVFZPMYMY-WCFLWFBJSA-N 1 0 312.548 4.684 50 0 DJAARO CCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000007261701 181450345 /nfs/dbraw/zinc/45/03/45/181450345.db2.gz SKKROYHCMDQVMS-UHFFFAOYSA-N 1 0 303.833 4.809 50 0 DJAARO COc1ccc(CC2=[NH+]C(C)(C)Cc3cc(C)c(C)cc32)cc1 ZINC000096343668 193614154 /nfs/dbraw/zinc/61/41/54/193614154.db2.gz RALSCMZZHXWJDH-UHFFFAOYSA-N 1 0 307.437 4.679 50 0 DJAARO CC(C)Oc1ccc([C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000008990826 181595314 /nfs/dbraw/zinc/59/53/14/181595314.db2.gz OSQKXYXKELABIZ-MJGOQNOKSA-N 1 0 319.489 4.718 50 0 DJAARO Cc1ccc(OCCCC[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c(C)c1 ZINC000013153310 181834343 /nfs/dbraw/zinc/83/43/43/181834343.db2.gz JFVXGMCWCRFNIA-BHIYHBOVSA-N 1 0 303.490 4.877 50 0 DJAARO Cc1cc(C)cc(NC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000013325260 181843557 /nfs/dbraw/zinc/84/35/57/181843557.db2.gz IXNNPKUHZPNRPG-UHFFFAOYSA-N 1 0 323.440 4.543 50 0 DJAARO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000015837442 182020180 /nfs/dbraw/zinc/02/01/80/182020180.db2.gz YYXXAZGHOKZGPJ-HXUWFJFHSA-N 1 0 313.416 4.952 50 0 DJAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3cccc4ccccc43)CC2)C1 ZINC000019889535 182160956 /nfs/dbraw/zinc/16/09/56/182160956.db2.gz CZCKYGJDLOMYKO-WIYYLYMNSA-N 1 0 322.496 4.536 50 0 DJAARO C[C@@H]([NH2+][C@H](C)c1cccc(Br)c1)c1cccs1 ZINC000020148241 182192511 /nfs/dbraw/zinc/19/25/11/182192511.db2.gz JCBUUUZWBBBREJ-GHMZBOCLSA-N 1 0 310.260 4.922 50 0 DJAARO CC[C@](O)(c1ccccc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000020868844 182250818 /nfs/dbraw/zinc/25/08/18/182250818.db2.gz BPHKQTGRJWZBDM-YADHBBJMSA-N 1 0 323.480 4.554 50 0 DJAARO CC(C)(C)[NH2+][C@@H]1C=C(C(C)(C)C)Sc2nc3ccccc3n21 ZINC000022239205 182315287 /nfs/dbraw/zinc/31/52/87/182315287.db2.gz WSMJLIISQBYSAG-HNNXBMFYSA-N 1 0 315.486 4.959 50 0 DJAARO N[C@H](c1cccc2ccccc21)[C@H]([NH3+])c1cccc2ccccc21 ZINC000022457452 182322212 /nfs/dbraw/zinc/32/22/12/182322212.db2.gz VVJVMUUCGDSHBT-FGZHOGPDSA-N 1 0 312.416 4.693 50 0 DJAARO COc1cccc(C[NH2+][C@H](C)c2cccc3ccccc32)c1OC ZINC000022787588 182335278 /nfs/dbraw/zinc/33/52/78/182335278.db2.gz MCOGFDMCYSLUBQ-OAHLLOKOSA-N 1 0 321.420 4.708 50 0 DJAARO Clc1cc(-c2ccccc2)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042770755 183306869 /nfs/dbraw/zinc/30/68/69/183306869.db2.gz FSSVMWUXZVNUBL-KRWDZBQOSA-N 1 0 315.844 4.918 50 0 DJAARO Clc1ccc(OCC[C@@H]2CCC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042771166 183306734 /nfs/dbraw/zinc/30/67/34/183306734.db2.gz BKMCQYFVOJUNLT-HNNXBMFYSA-N 1 0 315.844 4.776 50 0 DJAARO Clc1cc(Cl)c(OCC[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000042770309 183307215 /nfs/dbraw/zinc/30/72/15/183307215.db2.gz BOHCIOLGUUVHRD-GFCCVEGCSA-N 1 0 324.251 4.915 50 0 DJAARO CC[C@@H](C)[NH2+]CC[C@@H](c1ccccc1)c1ccc(C)c(C)c1O ZINC000051330931 183823677 /nfs/dbraw/zinc/82/36/77/183823677.db2.gz DHGAGDUMVANCKL-APWZRJJASA-N 1 0 311.469 4.919 50 0 DJAARO CC[C@H](C)[NH2+]CC[C@@H](c1ccccc1)c1ccc(C)c(C)c1O ZINC000051330933 183824009 /nfs/dbraw/zinc/82/40/09/183824009.db2.gz DHGAGDUMVANCKL-LPHOPBHVSA-N 1 0 311.469 4.919 50 0 DJAARO Cc1cccc2cc(C[NH2+][C@@H](C)Cc3ccco3)c(Cl)nc12 ZINC000058098835 184074904 /nfs/dbraw/zinc/07/49/04/184074904.db2.gz LINXJGRLFANCEH-ZDUSSCGKSA-N 1 0 314.816 4.510 50 0 DJAARO Cc1ccc([C@@H](C)[N@H+](C)Cc2cc(-c3ccccc3)no2)cc1 ZINC000059038229 184133969 /nfs/dbraw/zinc/13/39/69/184133969.db2.gz DNEFECVZRNFVGA-MRXNPFEDSA-N 1 0 306.409 4.843 50 0 DJAARO Brc1ccc([C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000065337597 184324965 /nfs/dbraw/zinc/32/49/65/184324965.db2.gz DFLJXKKHZUELSW-KRWDZBQOSA-N 1 0 316.242 4.634 50 0 DJAARO Cc1nc2ccccc2c(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)n1 ZINC000426526007 257247809 /nfs/dbraw/zinc/24/78/09/257247809.db2.gz HNXFQKDPTVSMFA-OAHLLOKOSA-N 1 0 317.436 4.762 50 0 DJAARO C[C@H](c1ccc(-c2ccc(F)cc2Cl)cc1)[NH+]1CCOCC1 ZINC000426406144 257251018 /nfs/dbraw/zinc/25/10/18/257251018.db2.gz NEZFSSIJECOPSQ-CYBMUJFWSA-N 1 0 319.807 4.539 50 0 DJAARO C[C@H](N[C@@H](C)c1cccc(O)c1)c1nc(C(C)(C)C)cs1 ZINC000194886663 563918459 /nfs/dbraw/zinc/91/84/59/563918459.db2.gz XYTLDHUBGWNOMR-RYUDHWBXSA-N 1 0 304.459 4.558 50 0 DJAARO Cc1cc2cc(C[NH2+]C3CCCCC3)c(Cl)nc2cc1C ZINC000013535357 563382437 /nfs/dbraw/zinc/38/24/37/563382437.db2.gz CBPOPLYDISZFGC-UHFFFAOYSA-N 1 0 302.849 4.927 50 0 DJAARO CC(C)(C)C1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000000221067 563231748 /nfs/dbraw/zinc/23/17/48/563231748.db2.gz NUHMSVAMMHSEDG-UHFFFAOYSA-N 1 0 318.480 4.553 50 0 DJAARO C[NH+](C)Cc1ccccc1Sc1cccc(Br)c1 ZINC000000390530 563249224 /nfs/dbraw/zinc/24/92/24/563249224.db2.gz XFOGYZDUEDDHBN-UHFFFAOYSA-N 1 0 322.271 4.662 50 0 DJAARO C[NH+](C)[C@@H](CCOc1cccc2ccccc21)c1ccccc1 ZINC000001482019 563284732 /nfs/dbraw/zinc/28/47/32/563284732.db2.gz USRHYDPUVLEVMC-FQEVSTJZSA-N 1 0 305.421 4.912 50 0 investigational DJAARO Cc1cccc(C(=O)c2cccc(C[NH+]3CCCCC3)c2)c1C ZINC000002515011 563305094 /nfs/dbraw/zinc/30/50/94/563305094.db2.gz FHIQJOWGIKARCW-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO Cc1ccc(C)c(C(=O)c2ccccc2C[NH+]2CCCCC2)c1 ZINC000002515510 563305808 /nfs/dbraw/zinc/30/58/08/563305808.db2.gz AGDLCTMHGZQBJL-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO Cc1ccc(C(=O)c2ccccc2C[NH+]2CCCCC2)cc1C ZINC000002515512 563306120 /nfs/dbraw/zinc/30/61/20/563306120.db2.gz RYEVGRQTJLVVBB-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO C[N@H+](Cc1ccccc1)Cc1cncc(-c2cc(F)ccc2F)c1 ZINC000034670356 563310750 /nfs/dbraw/zinc/31/07/50/563310750.db2.gz HSPQZRDKUMFPIV-UHFFFAOYSA-N 1 0 324.374 4.659 50 0 DJAARO Cc1ccc(C[NH2+]Cc2ccc(-c3ccc([C@@H](C)O)cc3)o2)cc1 ZINC000007541248 563339554 /nfs/dbraw/zinc/33/95/54/563339554.db2.gz QOTGRNZPXQGVDS-MRXNPFEDSA-N 1 0 321.420 4.598 50 0 DJAARO CCOc1ccc(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)cc1 ZINC000097393636 563345861 /nfs/dbraw/zinc/34/58/61/563345861.db2.gz NLBSYHJQMRZWOR-INIZCTEOSA-N 1 0 313.441 4.723 50 0 DJAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000008326750 563346058 /nfs/dbraw/zinc/34/60/58/563346058.db2.gz DWHRYRVKZNPFQV-AWEZNQCLSA-N 1 0 303.833 4.807 50 0 DJAARO CC[N@H+](Cc1c(C)[nH]c2ccc(C)cc2c1=O)C1CCCCC1 ZINC000009861059 563354397 /nfs/dbraw/zinc/35/43/97/563354397.db2.gz GLYIFESJNHJGCF-UHFFFAOYSA-N 1 0 312.457 4.712 50 0 DJAARO CCOc1c(Cl)cc(C[NH2+]Cc2ccccc2)cc1Cl ZINC000010436507 563356727 /nfs/dbraw/zinc/35/67/27/563356727.db2.gz HBMRAZMLXDCATE-UHFFFAOYSA-N 1 0 310.224 4.682 50 0 DJAARO CC(C)=CC[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000011911054 563359916 /nfs/dbraw/zinc/35/99/16/563359916.db2.gz LCFLVTVNBZEGJL-GOSISDBHSA-N 1 0 309.457 4.531 50 0 DJAARO Clc1ccc(NCCC[NH+]2CCCCC2)c2c1CCCC2 ZINC000059719268 563373541 /nfs/dbraw/zinc/37/35/41/563373541.db2.gz YEMFQFDEZOKVHD-UHFFFAOYSA-N 1 0 306.881 4.507 50 0 DJAARO CCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1C ZINC000013563297 563383389 /nfs/dbraw/zinc/38/33/89/563383389.db2.gz LNIGRARLURFSQQ-ZXNZYJFHSA-N 1 0 309.453 4.630 50 0 DJAARO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(-c3ccccc3)no2)cc1 ZINC000028280955 563430853 /nfs/dbraw/zinc/43/08/53/563430853.db2.gz UUNPNWDUQLEHRB-FQEVSTJZSA-N 1 0 322.383 4.818 50 0 DJAARO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1O ZINC000033087148 563444014 /nfs/dbraw/zinc/44/40/14/563444014.db2.gz DKVDGSWGZILXQT-OAHLLOKOSA-N 1 0 317.454 4.580 50 0 DJAARO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000096477611 563484339 /nfs/dbraw/zinc/48/43/39/563484339.db2.gz XGKQASYLZGUTHH-GXSJLCMTSA-N 1 0 307.463 4.592 50 0 DJAARO C#[N+]c1ccc(Cl)cc1[C@H](C)S(=O)(=O)c1ccc(C)cc1 ZINC000103402463 563561090 /nfs/dbraw/zinc/56/10/90/563561090.db2.gz PXUIYNLUNRJKPI-LBPRGKRZSA-N 1 0 319.813 4.734 50 0 DJAARO CC[NH+](CC)[C@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1 ZINC000000270225 563584063 /nfs/dbraw/zinc/58/40/63/563584063.db2.gz CQNIOTWXQDXZCG-FQEVSTJZSA-N 1 0 324.468 4.832 50 0 DJAARO C[C@H]([NH2+][C@@H](C)c1ccccc1Br)c1ccsc1 ZINC000050340931 563584732 /nfs/dbraw/zinc/58/47/32/563584732.db2.gz CDEUGZHQUFQCFZ-QWRGUYRKSA-N 1 0 310.260 4.922 50 0 DJAARO CC[C@@H](C)C[NH+]1CCC(c2n[nH]cc2-c2ccccc2C)CC1 ZINC000011784813 563599635 /nfs/dbraw/zinc/59/96/35/563599635.db2.gz SDPCTACVTSEQKS-OAHLLOKOSA-N 1 0 311.473 4.611 50 0 DJAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2oc3ccc(C)cc3c2C)on1 ZINC000216143128 563708476 /nfs/dbraw/zinc/70/84/76/563708476.db2.gz AIFIKUZSPZWRIB-MRXNPFEDSA-N 1 0 310.397 4.683 50 0 DJAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCc1ccccc1 ZINC000000978633 563785790 /nfs/dbraw/zinc/78/57/90/563785790.db2.gz NVKJJLOASZCIGJ-FQEVSTJZSA-N 1 0 304.437 4.686 50 0 DJAARO C[C@@H]([NH2+]Cc1c[nH]nc1-c1cccs1)c1ccccc1Cl ZINC000012539025 563799227 /nfs/dbraw/zinc/79/92/27/563799227.db2.gz RPBOCCZUSIOZOJ-LLVKDONJSA-N 1 0 317.845 4.642 50 0 DJAARO CC(C)(C)c1ccccc1OCCCC[NH2+]Cc1ccco1 ZINC000003247019 563799993 /nfs/dbraw/zinc/79/99/93/563799993.db2.gz JARSUHAWZUSAKK-UHFFFAOYSA-N 1 0 301.430 4.526 50 0 DJAARO CC(C)Cc1ccc([C@H](C)C(=[NH2+])NCCc2ccccc2)cc1 ZINC000001249345 563809913 /nfs/dbraw/zinc/80/99/13/563809913.db2.gz WCVBRQCZDPBUIL-KRWDZBQOSA-N 1 0 308.469 4.798 50 0 DJAARO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000083823616 563812290 /nfs/dbraw/zinc/81/22/90/563812290.db2.gz QWYMQABRNFIAJB-IAGOWNOFSA-N 1 0 319.452 4.847 50 0 DJAARO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc3ccccc32)cc1 ZINC000084148696 563824311 /nfs/dbraw/zinc/82/43/11/563824311.db2.gz KJWJDCRLJXHVJK-IERDGZPVSA-N 1 0 305.421 4.532 50 0 DJAARO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc3ccccc3c2)cc1 ZINC000084148688 563824350 /nfs/dbraw/zinc/82/43/50/563824350.db2.gz VYJDAVKCTLUHBW-IERDGZPVSA-N 1 0 305.421 4.532 50 0 DJAARO Clc1ccc([C@H]([NH2+]Cc2cc[nH]c2)c2cccs2)cc1 ZINC000086251174 563845075 /nfs/dbraw/zinc/84/50/75/563845075.db2.gz IYXRDROEUPLFEY-INIZCTEOSA-N 1 0 302.830 4.609 50 0 DJAARO C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccccc1 ZINC000012877947 563870908 /nfs/dbraw/zinc/87/09/08/563870908.db2.gz UVGMZSZZUWAPHC-HOTGVXAUSA-N 1 0 318.420 4.518 50 0 DJAARO CC(C)(C)c1ccc(CN2c3ccccc3N3CCC[NH+]=C23)cc1 ZINC000001904004 563883816 /nfs/dbraw/zinc/88/38/16/563883816.db2.gz MMFQCCJFVLDKCI-UHFFFAOYSA-N 1 0 319.452 4.570 50 0 DJAARO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000006929272 563899632 /nfs/dbraw/zinc/89/96/32/563899632.db2.gz SXYGVUVSBXIGJD-KRWDZBQOSA-N 1 0 324.468 4.716 50 0 DJAARO CC[N@@H+]1CC[C@H](CN2c3ccccc3Sc3ccccc32)C1 ZINC000004558923 563915850 /nfs/dbraw/zinc/91/58/50/563915850.db2.gz DREIJDPUZJLEMI-HNNXBMFYSA-N 1 0 310.466 4.631 50 0 DJAARO CCCC[N@@H+]1CCCn2cccc2[C@H]1c1cccc(Cl)c1 ZINC000037522430 563918340 /nfs/dbraw/zinc/91/83/40/563918340.db2.gz GAZIFEWQSPHNHA-GOSISDBHSA-N 1 0 302.849 4.737 50 0 DJAARO Cc1cc(Cl)cc2c(=O)c(C[NH+]3CCCCCC3)c(C)[nH]c12 ZINC000011990296 563928471 /nfs/dbraw/zinc/92/84/71/563928471.db2.gz ZNIFLAXDQQSWOT-UHFFFAOYSA-N 1 0 318.848 4.587 50 0 DJAARO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)c(C)o1 ZINC000096476773 563937385 /nfs/dbraw/zinc/93/73/85/563937385.db2.gz UDNYGCOPTSABCS-STQMWFEESA-N 1 0 303.450 4.568 50 0 DJAARO CC(C)(CC[NH2+]C[C@H]1CCOC(C)(C)C1)Cc1ccc(F)cc1 ZINC000032094284 563945390 /nfs/dbraw/zinc/94/53/90/563945390.db2.gz TYJICKXXIBVSET-KRWDZBQOSA-N 1 0 321.480 4.579 50 0 DJAARO CCCC[NH+](CCCC)Cc1c(C)[nH]c2c(C)cccc2c1=O ZINC000008700873 563949845 /nfs/dbraw/zinc/94/98/45/563949845.db2.gz GJLJFRDXXSUVRF-UHFFFAOYSA-N 1 0 314.473 4.959 50 0 DJAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2c(C)cc(Cl)cc2c1=O ZINC000008717229 563950052 /nfs/dbraw/zinc/95/00/52/563950052.db2.gz CGOIRUUKOBVITG-UHFFFAOYSA-N 1 0 320.864 4.833 50 0 DJAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2c(C)c(Cl)ccc2c1=O ZINC000008717944 563950162 /nfs/dbraw/zinc/95/01/62/563950162.db2.gz SULDGDVRYALXFD-UHFFFAOYSA-N 1 0 320.864 4.833 50 0 DJAARO Cc1[nH]c2ccc(F)cc2c(=O)c1C[NH+](CC(C)C)CC(C)C ZINC000008717335 563950170 /nfs/dbraw/zinc/95/01/70/563950170.db2.gz HCRMNRFFYQVLAG-UHFFFAOYSA-N 1 0 318.436 4.502 50 0 DJAARO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nc3cc(F)ccc3o2)c1 ZINC000079092924 185157050 /nfs/dbraw/zinc/15/70/50/185157050.db2.gz VLKLMNJCJCIJLZ-QGZVFWFLSA-N 1 0 310.372 4.612 50 0 DJAARO CC(C)n1cc([C@@H](C)[NH2+][C@H](c2cc(F)ccc2F)C2CC2)cn1 ZINC000095423504 185361142 /nfs/dbraw/zinc/36/11/42/185361142.db2.gz OJHHHJACNCQITD-XIKOKIGWSA-N 1 0 319.399 4.544 50 0 DJAARO CCCC[NH+](CCCC)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000072314819 191121096 /nfs/dbraw/zinc/12/10/96/191121096.db2.gz DBCCNFJTKPEOEN-UHFFFAOYSA-N 1 0 324.896 4.798 50 0 DJAARO O[C@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000000346081 180763063 /nfs/dbraw/zinc/76/30/63/180763063.db2.gz RDSWIMJXJXLZBI-RTBURBONSA-N 1 0 315.844 4.601 50 0 DJAARO c1ccc2sc(SCCC[NH2+]C3CCCCC3)nc2c1 ZINC000001786780 180896462 /nfs/dbraw/zinc/89/64/62/180896462.db2.gz HFQGDCOUMCQGMH-UHFFFAOYSA-N 1 0 306.500 4.701 50 0 DJAARO Cc1cc(C)cc(C(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000002515016 180930013 /nfs/dbraw/zinc/93/00/13/180930013.db2.gz SGJYKNVHFDOTLM-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO Clc1ccc(OCCCC[NH+]2CCCC2)c2ccccc12 ZINC000002885623 180968055 /nfs/dbraw/zinc/96/80/55/180968055.db2.gz YBHBOQLNLIOYGJ-UHFFFAOYSA-N 1 0 303.833 4.748 50 0 DJAARO C[N@H+](Cn1c2cc(Cl)ccc2oc1=S)C1CCCCC1 ZINC000003287264 181000972 /nfs/dbraw/zinc/00/09/72/181000972.db2.gz BMRIMGOGSBNCON-UHFFFAOYSA-N 1 0 310.850 4.839 50 0 DJAARO COc1cccc2c3c(c(C)nc12)CCN3c1ccc(C)cc1C ZINC000004051008 181066791 /nfs/dbraw/zinc/06/67/91/181066791.db2.gz DYSBWMGZHFBWKP-UHFFFAOYSA-N 1 0 318.420 4.863 50 0 DJAARO CCN(CC[NH+]1CCCCC1)c1ccc(C2CCCC2)cc1 ZINC000004115712 181075611 /nfs/dbraw/zinc/07/56/11/181075611.db2.gz ZSOGCLKEVAHNIN-UHFFFAOYSA-N 1 0 300.490 4.656 50 0 DJAARO Cc1ccccc1[C@@H]1c2ccccc2SC12CC[NH+](C)CC2 ZINC000004146674 181079154 /nfs/dbraw/zinc/07/91/54/181079154.db2.gz DLMCNNSJUBHHEO-LJQANCHMSA-N 1 0 309.478 4.697 50 0 DJAARO Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)[NH+]1CCC(C)CC1 ZINC000004247771 181087732 /nfs/dbraw/zinc/08/77/32/181087732.db2.gz CABFEBBOJPREEP-NRFANRHFSA-N 1 0 319.452 4.693 50 0 DJAARO Cc1cccc([C@@H]2N[C@H](c3cccc(C)c3)[C@H](C)C(=O)[C@@H]2C)c1 ZINC000004289846 181092747 /nfs/dbraw/zinc/09/27/47/181092747.db2.gz AHESAKCLGLIIOI-NFQUHZNNSA-N 1 0 307.437 4.530 50 0 DJAARO Cc1ccccc1[C@@H]1N[C@H](c2ccccc2C)[C@H](C)C(=O)[C@@H]1C ZINC000004289842 181093073 /nfs/dbraw/zinc/09/30/73/181093073.db2.gz GZFSBHPTKSDFKX-NFQUHZNNSA-N 1 0 307.437 4.530 50 0 DJAARO CC(C)(C)C1=C[C@H](c2ccccc2)[C@@H]2CCCC[C@]23OCC[N@H+]13 ZINC000004769674 181149973 /nfs/dbraw/zinc/14/99/73/181149973.db2.gz PKMKJGOXZVPWQD-LQWHRVPQSA-N 1 0 311.469 4.933 50 0 DJAARO CC(C)(c1ccccc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000004845493 181162568 /nfs/dbraw/zinc/16/25/68/181162568.db2.gz GJJSFVQCLXTWJL-UHFFFAOYSA-N 1 0 323.480 4.877 50 0 DJAARO Cc1ccc(C(C)(C)C)c(OCC[N@@H+](C)Cc2ccccc2)c1 ZINC000004913016 181172208 /nfs/dbraw/zinc/17/22/08/181172208.db2.gz AMWINQXEAZEFQX-UHFFFAOYSA-N 1 0 311.469 4.803 50 0 DJAARO COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000004989543 181185867 /nfs/dbraw/zinc/18/58/67/181185867.db2.gz KTPDRCHSIMMQGG-IERDGZPVSA-N 1 0 309.453 4.684 50 0 DJAARO C[C@@H](c1nc2ccccc2n1Cc1ccccc1)[NH+]1CCCCC1 ZINC000005235834 181219961 /nfs/dbraw/zinc/21/99/61/181219961.db2.gz ZPVXOYCFXQVDEF-KRWDZBQOSA-N 1 0 319.452 4.632 50 0 DJAARO C[NH+]1CCC(=C2c3ccccc3CSc3ccccc32)CC1 ZINC000005343183 181231657 /nfs/dbraw/zinc/23/16/57/181231657.db2.gz MBGXTYVKSKOCFX-UHFFFAOYSA-N 1 0 307.462 4.820 50 0 DJAARO CC(C)c1cccc(OCC[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000006624345 181362133 /nfs/dbraw/zinc/36/21/33/181362133.db2.gz LGWMZWJFYITHPM-NRFANRHFSA-N 1 0 324.468 4.811 50 0 biogenic DJAARO CC(C)[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1nc2ccccc2[nH]1 ZINC000006651128 181365435 /nfs/dbraw/zinc/36/54/35/181365435.db2.gz VJVNDOAGIFJCSK-IWTNNEHZSA-N 1 0 323.484 4.674 50 0 DJAARO C[C@@H](c1ccc(F)cc1)N(C)Cc1csc(-c2ccoc2)n1 ZINC000170983663 335008437 /nfs/dbraw/zinc/00/84/37/335008437.db2.gz BGYDSXCXTHNFJR-LBPRGKRZSA-N 1 0 316.401 4.735 50 0 DJAARO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccccc1N(C)C ZINC000093942098 193331436 /nfs/dbraw/zinc/33/14/36/193331436.db2.gz TZOFYFSVUFMJTO-HSBZDZAISA-N 1 0 314.395 4.524 50 0 DJAARO Cc1ccc2[nH]c(C)c(C[NH+](CC(C)C)CC(C)C)c(=O)c2c1 ZINC000009111491 181601699 /nfs/dbraw/zinc/60/16/99/181601699.db2.gz PIRUFSCHYUOPNF-UHFFFAOYSA-N 1 0 314.473 4.671 50 0 DJAARO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000015837254 182020553 /nfs/dbraw/zinc/02/05/53/182020553.db2.gz GNQLQBOVZSTJCE-FQEVSTJZSA-N 1 0 313.416 4.952 50 0 DJAARO C[C@@H]1CCCC[C@H]1[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000019889531 182160641 /nfs/dbraw/zinc/16/06/41/182160641.db2.gz OWTCJCWCRNISDS-XMSQKQJNSA-N 1 0 322.496 4.536 50 0 DJAARO C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3cccc4ccccc43)CC2)C1 ZINC000019889540 182160775 /nfs/dbraw/zinc/16/07/75/182160775.db2.gz CZCKYGJDLOMYKO-NQIIRXRSSA-N 1 0 322.496 4.536 50 0 DJAARO CSc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000022324310 182317921 /nfs/dbraw/zinc/31/79/21/182317921.db2.gz VIBMYXWYTBGCBI-UHFFFAOYSA-N 1 0 311.494 4.863 50 0 DJAARO N[C@H](c1cccc2ccccc21)[C@@H]([NH3+])c1cccc2ccccc21 ZINC000022457447 182321975 /nfs/dbraw/zinc/32/19/75/182321975.db2.gz VVJVMUUCGDSHBT-SZPZYZBQSA-N 1 0 312.416 4.693 50 0 DJAARO C[N@H+](Cc1cccc2cccnc21)[C@@H]1CCCc2ccccc21 ZINC000022515758 182324402 /nfs/dbraw/zinc/32/44/02/182324402.db2.gz ICMLILRWQPMURU-HXUWFJFHSA-N 1 0 302.421 4.744 50 0 DJAARO Clc1cc(-c2ccccc2)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042770749 183306665 /nfs/dbraw/zinc/30/66/65/183306665.db2.gz YGKGOISTVBFIEP-HNNXBMFYSA-N 1 0 315.844 4.776 50 0 DJAARO CCC(C)(C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042771014 183307136 /nfs/dbraw/zinc/30/71/36/183307136.db2.gz UXYCLBVUMCMKGT-HNNXBMFYSA-N 1 0 309.881 4.939 50 0 DJAARO Clc1cc(Cl)c(OCC2CC[NH2+]CC2)c2ccccc12 ZINC000042774514 183307580 /nfs/dbraw/zinc/30/75/80/183307580.db2.gz JUKHWMYFOIZNTG-UHFFFAOYSA-N 1 0 310.224 4.525 50 0 DJAARO C[C@@H](c1cccc(-c2ncnc3sccc32)c1)[NH+]1CCCC1 ZINC000065394214 184334489 /nfs/dbraw/zinc/33/44/89/184334489.db2.gz DJVQAAKXIBEBOW-ZDUSSCGKSA-N 1 0 309.438 4.515 50 0 DJAARO c1csc(C[NH2+]Cc2ccc(OCc3cccs3)cc2)c1 ZINC000016430648 257268627 /nfs/dbraw/zinc/26/86/27/257268627.db2.gz REIKWQGZPOKTKQ-UHFFFAOYSA-N 1 0 315.463 4.678 50 0 DJAARO Fc1ccccc1C[NH2+]CC[C@@H](c1ccco1)c1ccccc1 ZINC000002302170 563302054 /nfs/dbraw/zinc/30/20/54/563302054.db2.gz GCPJYWWKHIXFJY-GOSISDBHSA-N 1 0 309.384 4.731 50 0 DJAARO CC1=C(CC[N@@H+](C)C[C@H](O)c2ccccc2)C(C)(C)CCC1 ZINC000002498583 563304496 /nfs/dbraw/zinc/30/44/96/563304496.db2.gz CMAXEUZLLRCSAR-IBGZPJMESA-N 1 0 301.474 4.569 50 0 DJAARO Cc1cc(C)cc(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000002514515 563305148 /nfs/dbraw/zinc/30/51/48/563305148.db2.gz YWTVRIOOHYBSIV-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO Cc1ccc(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000002514514 563305341 /nfs/dbraw/zinc/30/53/41/563305341.db2.gz JWMNVYGUOZMEOU-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO Cc1ccc(C(=O)c2ccccc2C[NH+]2CCCCC2)c(C)c1 ZINC000002515509 563306154 /nfs/dbraw/zinc/30/61/54/563306154.db2.gz LHXWQQOWFNYWTK-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO CC[NH+](CC)CCCCCOc1ccc(Cl)cc1Cl ZINC000002903663 563317660 /nfs/dbraw/zinc/31/76/60/563317660.db2.gz MEEPYONZHIYHKL-UHFFFAOYSA-N 1 0 304.261 4.884 50 0 DJAARO C[C@@H]1CCC[C@@H]([NH2+]CCCCOc2ccc(Cl)cc2)[C@@H]1C ZINC000005013576 563328969 /nfs/dbraw/zinc/32/89/69/563328969.db2.gz HQFVREARNLXVII-IIDMSEBBSA-N 1 0 309.881 4.913 50 0 DJAARO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000225329580 563333753 /nfs/dbraw/zinc/33/37/53/563333753.db2.gz WYEPLTVFZPMYMY-RAIGVLPGSA-N 1 0 312.548 4.684 50 0 DJAARO Cc1ccccc1NC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006742331 563333910 /nfs/dbraw/zinc/33/39/10/563333910.db2.gz DZWQUAOGTKZTAV-UHFFFAOYSA-N 1 0 323.440 4.625 50 0 DJAARO CCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000007261666 563337236 /nfs/dbraw/zinc/33/72/36/563337236.db2.gz YFXQRFNOWFQZDS-UHFFFAOYSA-N 1 0 321.823 4.948 50 0 DJAARO CCCC[NH+](CCCC)Cc1c(C)[nH]c2ccccc2c1=O ZINC000008691921 563349422 /nfs/dbraw/zinc/34/94/22/563349422.db2.gz DVRBBMBQYQJEOM-UHFFFAOYSA-N 1 0 300.446 4.651 50 0 biogenic DJAARO CC(C)c1ccc(N[C@@H]2CCC[N@@H+](C3CCSCC3)C2)cc1 ZINC000011821660 563360341 /nfs/dbraw/zinc/36/03/41/563360341.db2.gz IFNJEMLTBUVTTI-GOSISDBHSA-N 1 0 318.530 4.582 50 0 DJAARO c1[nH]nc([C@@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)c1-c1ccccc1 ZINC000012244823 563365339 /nfs/dbraw/zinc/36/53/39/563365339.db2.gz AEDTYTAUJPFSKJ-PKOBYXMFSA-N 1 0 321.468 4.612 50 0 DJAARO COc1cccc2cc(C[NH2+][C@@H](C)c3ccc(F)c(F)c3)oc21 ZINC000032740417 563389008 /nfs/dbraw/zinc/38/90/08/563389008.db2.gz PYEGTUXAXNELGX-NSHDSACASA-N 1 0 317.335 4.570 50 0 DJAARO Cc1cccc2cc(C[NH2+]Cc3ccc(F)cc3)c(Cl)nc12 ZINC000013999012 563394022 /nfs/dbraw/zinc/39/40/22/563394022.db2.gz KUROUSXHIHJMPT-UHFFFAOYSA-N 1 0 314.791 4.626 50 0 DJAARO C[C@H](Cc1ccccc1)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000075249777 563459573 /nfs/dbraw/zinc/45/95/73/563459573.db2.gz VBMLMDFCZULTDN-GOSISDBHSA-N 1 0 301.433 4.997 50 0 DJAARO CCCCC/[NH+]=c1\ccn(Cc2ccccc2)c2ccccc21 ZINC000100002080 563544429 /nfs/dbraw/zinc/54/44/29/563544429.db2.gz MMGAVKCAGQCFHS-LSDHQDQOSA-N 1 0 304.437 4.781 50 0 in-vivo DJAARO C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)c1ccsc1 ZINC000050340934 563584810 /nfs/dbraw/zinc/58/48/10/563584810.db2.gz CDEUGZHQUFQCFZ-MNOVXSKESA-N 1 0 310.260 4.922 50 0 DJAARO CC(C)Cc1[nH+]c2ccc(Cl)cn2c1NC1CCCCC1 ZINC000000319978 563588467 /nfs/dbraw/zinc/58/84/67/563588467.db2.gz BTEOICZQFMWIOH-UHFFFAOYSA-N 1 0 305.853 4.931 50 0 DJAARO C[C@H]1c2ccsc2Sc2ccccc2N1CCC[NH+](C)C ZINC000000346666 563589625 /nfs/dbraw/zinc/58/96/25/563589625.db2.gz QHGOHBDSGZJDLR-ZDUSSCGKSA-N 1 0 318.511 4.732 50 0 DJAARO c1csc([C@H]2CCCN2Cc2coc(-c3ccccc3)n2)c1 ZINC000048262094 563694242 /nfs/dbraw/zinc/69/42/42/563694242.db2.gz JAUIIRQVGWYJLQ-MRXNPFEDSA-N 1 0 310.422 4.740 50 0 DJAARO CC(C)(C)[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000048311834 563695703 /nfs/dbraw/zinc/69/57/03/563695703.db2.gz CBJLHJLPFZGZCK-HXUWFJFHSA-N 1 0 319.452 4.749 50 0 DJAARO C[C@H](c1ccncc1)[N@H+](C)Cc1ccccc1OC1CCCC1 ZINC000215220478 563704656 /nfs/dbraw/zinc/70/46/56/563704656.db2.gz WHJJFUCBZSZRMY-MRXNPFEDSA-N 1 0 310.441 4.596 50 0 DJAARO CC(C)c1nnc(C[N@@H+]2CCCCC[C@H]2C2CCCCC2)o1 ZINC000225397158 563753968 /nfs/dbraw/zinc/75/39/68/563753968.db2.gz ANZXYRNBUNRXDJ-INIZCTEOSA-N 1 0 305.466 4.518 50 0 DJAARO FC(F)SCc1ccc(C[NH2+][C@@H]2CCc3ccccc32)o1 ZINC000035047678 563795340 /nfs/dbraw/zinc/79/53/40/563795340.db2.gz CPUVVPWLMYOWEY-OAHLLOKOSA-N 1 0 309.381 4.513 50 0 DJAARO CC(C)[C@@H]([NH2+]Cc1coc2ccccc12)c1nc2ccccc2[nH]1 ZINC000121003835 563807596 /nfs/dbraw/zinc/80/75/96/563807596.db2.gz AYAOTWQREIMVFL-LJQANCHMSA-N 1 0 319.408 4.796 50 0 DJAARO c1c(C[N@H+]2CC=C(c3ccccc3)CC2)onc1-c1ccccc1 ZINC000012778871 563829708 /nfs/dbraw/zinc/82/97/08/563829708.db2.gz VNFLTXYAXZZBEY-UHFFFAOYSA-N 1 0 316.404 4.631 50 0 DJAARO C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827087 563877996 /nfs/dbraw/zinc/87/79/96/563877996.db2.gz PZMKRRTWCFWTMK-GDBMZVCRSA-N 1 0 324.399 4.908 50 0 DJAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@]1(C)O ZINC000245231340 563881406 /nfs/dbraw/zinc/88/14/06/563881406.db2.gz BRKDPSAOJQTDPB-CGXNFDGLSA-N 1 0 309.453 4.630 50 0 DJAARO CC(C)Oc1ccc([C@H](CC[NH2+]Cc2ccco2)C(C)C)cc1 ZINC000001815153 563882381 /nfs/dbraw/zinc/88/23/81/563882381.db2.gz SLHXSFWUWOTWKC-HXUWFJFHSA-N 1 0 315.457 4.986 50 0 biogenic DJAARO COc1ccc([C@H](C)[NH2+][C@H]2COc3ccccc32)c2ccccc12 ZINC000089517231 563889285 /nfs/dbraw/zinc/88/92/85/563889285.db2.gz IZWASBMZWDKRCL-LIRRHRJNSA-N 1 0 319.404 4.633 50 0 DJAARO c1ccc2c(c1)Sc1ccccc1N2C[C@H]1C[NH+]2CCC1CC2 ZINC000002011568 563896235 /nfs/dbraw/zinc/89/62/35/563896235.db2.gz HOKDBMAJZXIPGC-MRXNPFEDSA-N 1 0 322.477 4.631 50 0 world DJAARO Cc1cc(Cl)cc(C)c1OCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000002823184 563913069 /nfs/dbraw/zinc/91/30/69/563913069.db2.gz JQTDKIIVIARNKU-CQSZACIVSA-N 1 0 309.881 4.848 50 0 DJAARO Cc1cc(C)c(OCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1 ZINC000002823214 563913073 /nfs/dbraw/zinc/91/30/73/563913073.db2.gz XJKWPMGARWUVIU-GASCZTMLSA-N 1 0 309.881 4.704 50 0 DJAARO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccoc2)cc1C ZINC000037522282 563918355 /nfs/dbraw/zinc/91/83/55/563918355.db2.gz IOZVMTFMUZWCMR-NRFANRHFSA-N 1 0 320.436 4.693 50 0 DJAARO COc1ccccc1-c1ccc([C@@H](C)[NH2+]Cc2ccncc2)cc1 ZINC000253417967 563925145 /nfs/dbraw/zinc/92/51/45/563925145.db2.gz PHRRRUAZRNFURR-MRXNPFEDSA-N 1 0 318.420 4.608 50 0 DJAARO Fc1ccc(CNc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000013362507 563929540 /nfs/dbraw/zinc/92/95/40/563929540.db2.gz KJECOIPTGOVVSL-UHFFFAOYSA-N 1 0 306.384 4.865 50 0 DJAARO CC[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(Cl)s1 ZINC000095967731 563933250 /nfs/dbraw/zinc/93/32/50/563933250.db2.gz RUEBLISWSAAMQH-STQMWFEESA-N 1 0 307.846 4.835 50 0 DJAARO C[C@H]([NH2+]Cc1ccccc1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000096027543 563935041 /nfs/dbraw/zinc/93/50/41/563935041.db2.gz RMMPPIGYVZPWST-PGRDOPGGSA-N 1 0 317.432 4.985 50 0 DJAARO Cc1ccc([C@H](SCC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000096026419 563935091 /nfs/dbraw/zinc/93/50/91/563935091.db2.gz SWJSVZYJGLOFSC-HXUWFJFHSA-N 1 0 311.494 4.913 50 0 DJAARO C[C@H]([NH2+]Cc1ccccc1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000096027541 563935195 /nfs/dbraw/zinc/93/51/95/563935195.db2.gz RMMPPIGYVZPWST-AVRDEDQJSA-N 1 0 317.432 4.985 50 0 DJAARO CC[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccccc1OC(F)F ZINC000096476586 563937259 /nfs/dbraw/zinc/93/72/59/563937259.db2.gz LTXIAUBDALNXNY-NHYWBVRUSA-N 1 0 324.346 4.624 50 0 DJAARO CC[C@@](C)([NH2+]Cc1cnc(-c2cccnc2)s1)c1ccccc1 ZINC000096456794 563937286 /nfs/dbraw/zinc/93/72/86/563937286.db2.gz PCIKNKBKUYQLJM-LJQANCHMSA-N 1 0 323.465 4.620 50 0 DJAARO Cc1ccc(-c2csc(Nc3ccc(N(C)C)cc3)n2)cc1 ZINC000002812901 563940822 /nfs/dbraw/zinc/94/08/22/563940822.db2.gz RSERDANQAIXQEM-UHFFFAOYSA-N 1 0 309.438 4.928 50 0 DJAARO C[C@](CC[NH2+][C@H]1CCOC(C)(C)C1)(Cc1ccccc1)C1CC1 ZINC000032095901 563945280 /nfs/dbraw/zinc/94/52/80/563945280.db2.gz HLHVWYKNEDQMAG-FPOVZHCZSA-N 1 0 315.501 4.583 50 0 DJAARO C[C@@](CC[NH2+][C@H]1CCOC(C)(C)C1)(Cc1ccccc1)C1CC1 ZINC000032095905 563945295 /nfs/dbraw/zinc/94/52/95/563945295.db2.gz HLHVWYKNEDQMAG-PZJWPPBQSA-N 1 0 315.501 4.583 50 0 DJAARO CCC[NH+](CCC)Cc1c(C)[nH]c2c(C)cc(Cl)cc2c1=O ZINC000008717228 563950044 /nfs/dbraw/zinc/95/00/44/563950044.db2.gz BYTMGUDQLSCNDA-UHFFFAOYSA-N 1 0 320.864 4.833 50 0 DJAARO Oc1ccc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000008724459 563950256 /nfs/dbraw/zinc/95/02/56/563950256.db2.gz YLYJDURXBCUASP-UHFFFAOYSA-N 1 0 313.784 4.595 50 0 DJAARO CC[N@H+](Cc1ccccc1)Cc1c(C)[nH]c2ccc(C)cc2c1=O ZINC000008717594 563950262 /nfs/dbraw/zinc/95/02/62/563950262.db2.gz GOKZCNBDUUJRFX-UHFFFAOYSA-N 1 0 320.436 4.579 50 0 DJAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2c(Cl)cccc2c1=O ZINC000009911014 563957892 /nfs/dbraw/zinc/95/78/92/563957892.db2.gz SNXYGJNRKNUFMK-CYBMUJFWSA-N 1 0 318.848 4.667 50 0 DJAARO Cc1[nH]c2ccccc2c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000001227275 568417344 /nfs/dbraw/zinc/41/73/44/568417344.db2.gz UPZOZANEOZVTJF-UHFFFAOYSA-N 1 0 318.464 4.931 50 0 DJAARO CC[C@H]([NH2+][C@@H](C)c1ccc(SC)c(OC)c1)c1ccncc1 ZINC000097017081 185397500 /nfs/dbraw/zinc/39/75/00/185397500.db2.gz PFEMNITWXBJBMZ-BBRMVZONSA-N 1 0 316.470 4.614 50 0 DJAARO CC[C@@H]([NH2+][C@@H](C)c1ccc(SC)c(OC)c1)c1ccncc1 ZINC000097017084 185397672 /nfs/dbraw/zinc/39/76/72/185397672.db2.gz PFEMNITWXBJBMZ-XJKSGUPXSA-N 1 0 316.470 4.614 50 0 DJAARO CC[NH+](CC)CCn1c2cccc3c2c2c1cccc2CSC3 ZINC000071770912 191030401 /nfs/dbraw/zinc/03/04/01/191030401.db2.gz DWMDYWRFOINFSG-UHFFFAOYSA-N 1 0 324.493 4.883 50 0 DJAARO C[C@H](Nc1ccc(Cl)c(C[NH+](C)C)c1)c1cccc(F)c1 ZINC000225604952 186282548 /nfs/dbraw/zinc/28/25/48/186282548.db2.gz JGXVHHFLKUBBFG-LBPRGKRZSA-N 1 0 306.812 4.714 50 0 DJAARO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(OC)cc3)c2c1 ZINC000000071857 180684027 /nfs/dbraw/zinc/68/40/27/180684027.db2.gz FACRZUIAGVXBJV-UHFFFAOYSA-N 1 0 308.381 4.694 50 0 DJAARO C[C@H](c1ccco1)[N@H+](C)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000072480436 191180760 /nfs/dbraw/zinc/18/07/60/191180760.db2.gz APLRFTBOKJCZFX-CYBMUJFWSA-N 1 0 321.380 4.609 50 0 DJAARO C[NH+](C)CC[C@@H]1Sc2ccccc2Sc2ccccc21 ZINC000000347757 180763791 /nfs/dbraw/zinc/76/37/91/180763791.db2.gz LIABTKMSNBPDSF-HNNXBMFYSA-N 1 0 301.480 4.936 50 0 DJAARO c1ccc(Cc2ccc(OCCC[NH2+]C3CCCC3)cc2)cc1 ZINC000002845378 180962652 /nfs/dbraw/zinc/96/26/52/180962652.db2.gz STYXEZCMERUSHX-UHFFFAOYSA-N 1 0 309.453 4.579 50 0 DJAARO Cc1cc(OCCCCC[NH+]2CCCCC2)cc(C)c1Cl ZINC000002903516 180969064 /nfs/dbraw/zinc/96/90/64/180969064.db2.gz SPZWPYDSLMXETJ-UHFFFAOYSA-N 1 0 309.881 4.992 50 0 DJAARO Cc1cc2oc(=O)cc(C[N@@H+]3CCCC[C@H]3C)c2cc1C(C)C ZINC000003348964 181009692 /nfs/dbraw/zinc/00/96/92/181009692.db2.gz QNCWBBRDUXIFFV-OAHLLOKOSA-N 1 0 313.441 4.599 50 0 DJAARO CC(C)(c1ccccc1)c1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000003823704 181046923 /nfs/dbraw/zinc/04/69/23/181046923.db2.gz XERNGIBISZXPNG-HXUWFJFHSA-N 1 0 323.480 4.924 50 0 DJAARO c1cnc2c(c1)cccc2SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004029137 181064257 /nfs/dbraw/zinc/06/42/57/181064257.db2.gz AGHBXQNGLDCAHT-DLBZAZTESA-N 1 0 312.482 4.591 50 0 biogenic DJAARO c1ccc([C@@H]2C3=C(CCCC3)[N@H+]3CCO[C@@]34CCCC[C@@H]24)cc1 ZINC000004027513 181064448 /nfs/dbraw/zinc/06/44/48/181064448.db2.gz BERGZMFIKZYZDE-CEWLAPEOSA-N 1 0 309.453 4.831 50 0 biogenic DJAARO Cc1ccccc1[C@@H]1N[C@H](c2ccccc2C)[C@@H](C)C(=O)[C@@H]1C ZINC000004289844 181092808 /nfs/dbraw/zinc/09/28/08/181092808.db2.gz GZFSBHPTKSDFKX-SMOSDQRPSA-N 1 0 307.437 4.530 50 0 DJAARO Clc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]Cc1ccccc1 ZINC000004350538 181101338 /nfs/dbraw/zinc/10/13/38/181101338.db2.gz KKJXCUTZQUGEGJ-GOSISDBHSA-N 1 0 310.828 4.989 50 0 DJAARO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OC ZINC000004657521 181132527 /nfs/dbraw/zinc/13/25/27/181132527.db2.gz MTSPKWLXDYHBFP-ZDUSSCGKSA-N 1 0 319.832 4.598 50 0 DJAARO Clc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c(Cl)c1 ZINC000004657393 181132763 /nfs/dbraw/zinc/13/27/63/181132763.db2.gz TWCKQZJPZIOAMS-UHFFFAOYSA-N 1 0 310.268 4.908 50 0 DJAARO c1ccc(-c2nn(-c3ccccc3)c(-c3ccccc3)[s+]2)cc1 ZINC000004666813 181134033 /nfs/dbraw/zinc/13/40/33/181134033.db2.gz DBSKIUPVDRUNDZ-UHFFFAOYSA-N 1 0 315.421 4.754 50 0 DJAARO CCc1ccc(CNc2[nH+]cc(-c3ccc(C)c(C)c3)n2C)cc1 ZINC000004678746 181135947 /nfs/dbraw/zinc/13/59/47/181135947.db2.gz FUUMHLQNGAZVFE-UHFFFAOYSA-N 1 0 319.452 4.878 50 0 DJAARO CCCC[N@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000004680200 181136318 /nfs/dbraw/zinc/13/63/18/181136318.db2.gz ITARZSYJSDVROV-UHFFFAOYSA-N 1 0 313.441 4.506 50 0 DJAARO Clc1cc(Cl)c(OCC[NH+]2CCCCCC2)c(Cl)c1 ZINC000004986047 181184824 /nfs/dbraw/zinc/18/48/24/181184824.db2.gz CPPZSIWGPUFWOR-UHFFFAOYSA-N 1 0 322.663 4.902 50 0 DJAARO COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000004989541 181186168 /nfs/dbraw/zinc/18/61/68/181186168.db2.gz KTPDRCHSIMMQGG-IIBYNOLFSA-N 1 0 309.453 4.684 50 0 DJAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCC(C)C ZINC000005064854 181200037 /nfs/dbraw/zinc/20/00/37/181200037.db2.gz VTMIFXCWXIUZKM-INIZCTEOSA-N 1 0 313.441 4.581 50 0 DJAARO CC(C)OC[C@H](C)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000005498292 181250144 /nfs/dbraw/zinc/25/01/44/181250144.db2.gz YLVIUZZWBBFBBV-SFHVURJKSA-N 1 0 311.469 4.612 50 0 DJAARO Cc1cc2oc(=O)cc(C[NH+]3CCCCCCC3)c2cc1Cl ZINC000006628055 181363026 /nfs/dbraw/zinc/36/30/26/181363026.db2.gz VBFRPHKJUGIKTR-UHFFFAOYSA-N 1 0 319.832 4.521 50 0 DJAARO CC(C)[C@@H](CC[NH2+]Cc1ccccn1)c1ccc(Cl)cc1 ZINC000006672477 181368602 /nfs/dbraw/zinc/36/86/02/181368602.db2.gz WIUJOZTZDSBSCB-GOSISDBHSA-N 1 0 302.849 4.655 50 0 DJAARO CC(C)n1ccnc1C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000091745944 193100136 /nfs/dbraw/zinc/10/01/36/193100136.db2.gz IMWCLOJUOJJBEE-UHFFFAOYSA-N 1 0 323.893 4.559 50 0 DJAARO CCc1ccc2[nH]c(C)c(C[N@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000008714153 181577125 /nfs/dbraw/zinc/57/71/25/181577125.db2.gz GKOCZMCOMJORNV-UHFFFAOYSA-N 1 0 312.457 4.576 50 0 DJAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC000015836955 182020387 /nfs/dbraw/zinc/02/03/87/182020387.db2.gz QBXMENDOXLTXGU-SFHVURJKSA-N 1 0 301.817 4.686 50 0 DJAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(SC)cc1 ZINC000015866939 182023239 /nfs/dbraw/zinc/02/32/39/182023239.db2.gz LQOQORTUXPHQSN-INIZCTEOSA-N 1 0 316.470 4.604 50 0 DJAARO Fc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000016480721 182046371 /nfs/dbraw/zinc/04/63/71/182046371.db2.gz IWUZIJNTVYFYCZ-UHFFFAOYSA-N 1 0 321.395 4.695 50 0 DJAARO CCC[C@@H]1[C@H](O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000017207317 182079944 /nfs/dbraw/zinc/07/99/44/182079944.db2.gz WYTPYNYFQAORGV-PLACYPQZSA-N 1 0 309.453 4.582 50 0 DJAARO C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3cccc4ccccc43)CC2)C1 ZINC000019889537 182160827 /nfs/dbraw/zinc/16/08/27/182160827.db2.gz CZCKYGJDLOMYKO-GHTZIAJQSA-N 1 0 322.496 4.536 50 0 DJAARO Cc1oc(-c2ccco2)nc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000020785735 182247431 /nfs/dbraw/zinc/24/74/31/182247431.db2.gz LCRJKRFTMQMGBS-KRWDZBQOSA-N 1 0 322.408 4.623 50 0 DJAARO CC[n+]1c(/C=C/c2ccc(N(C)C)s2)sc2ccccc21 ZINC000027987881 182502541 /nfs/dbraw/zinc/50/25/41/182502541.db2.gz KHFWXLQPFFRUEB-UHFFFAOYSA-N 1 0 315.487 4.507 50 0 DJAARO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)C1CCC(C)CC1 ZINC000039978296 183026899 /nfs/dbraw/zinc/02/68/99/183026899.db2.gz GIRSGUUKUKILOR-UHFFFAOYSA-N 1 0 316.489 4.567 50 0 DJAARO CCC(C)(C)c1ccc(OCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042771003 183306627 /nfs/dbraw/zinc/30/66/27/183306627.db2.gz LMEVLMSSYMXUAX-UHFFFAOYSA-N 1 0 309.881 4.796 50 0 DJAARO CC[C@@H](C)C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(C)c2)C1 ZINC000042995781 183326140 /nfs/dbraw/zinc/32/61/40/183326140.db2.gz SWUDAORZJLYOIE-QAPCUYQASA-N 1 0 311.473 4.611 50 0 DJAARO Clc1cc(Cl)c(OCCC2CC[NH2+]CC2)c2ccccc12 ZINC000042770302 183307085 /nfs/dbraw/zinc/30/70/85/183307085.db2.gz GUGBHKNCTZWWDX-UHFFFAOYSA-N 1 0 324.251 4.915 50 0 DJAARO COC(c1cc(C)cc(C)c1)(c1cc(C)cc(C)c1)[C@@H]1CCC[NH2+]1 ZINC000043763910 183385070 /nfs/dbraw/zinc/38/50/70/183385070.db2.gz VIKGYBJDJFXSSU-NRFANRHFSA-N 1 0 323.480 4.562 50 0 DJAARO COc1ccc(C[N@H+](C)C2c3ccccc3-c3ccccc32)cc1 ZINC000058163345 184083044 /nfs/dbraw/zinc/08/30/44/184083044.db2.gz XTWWYLPZORXWTF-UHFFFAOYSA-N 1 0 315.416 4.897 50 0 DJAARO COc1cccc2cc(C[NH2+]Cc3csc4ccccc34)oc21 ZINC000061047917 184160620 /nfs/dbraw/zinc/16/06/20/184160620.db2.gz HUHTXAHHJCUZGF-UHFFFAOYSA-N 1 0 323.417 4.946 50 0 DJAARO C[C@H](c1cccc(-c2coc3ccccc3c2=O)c1)[NH+]1CCCC1 ZINC000065385064 184333293 /nfs/dbraw/zinc/33/32/93/184333293.db2.gz VPTJEVZZIWNQCR-OAHLLOKOSA-N 1 0 319.404 4.617 50 0 DJAARO CCCC1CCC(c2ccc(C(=O)CC[NH+](C)C)cc2)CC1 ZINC000001263273 331465788 /nfs/dbraw/zinc/46/57/88/331465788.db2.gz USKXLCJIKBRJHF-UHFFFAOYSA-N 1 0 301.474 4.895 50 0 DJAARO C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(Cl)s1 ZINC000095968365 563933159 /nfs/dbraw/zinc/93/31/59/563933159.db2.gz FVEZKNAYLZWNMC-TZMCWYRMSA-N 1 0 309.862 4.566 50 0 DJAARO COc1ccccc1C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000000147864 563224679 /nfs/dbraw/zinc/22/46/79/563224679.db2.gz VPFABXVCQOGXNY-UHFFFAOYSA-N 1 0 320.436 4.556 50 0 DJAARO COc1cccc([C@@H](C)[NH2+]CCCc2ccccc2Cl)c1 ZINC000001538900 563284919 /nfs/dbraw/zinc/28/49/19/563284919.db2.gz ZVQUCWXZCKWZBP-CQSZACIVSA-N 1 0 303.833 4.632 50 0 investigational DJAARO Cc1ccc([C@@H](CC[NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC000002117751 563300102 /nfs/dbraw/zinc/30/01/02/563300102.db2.gz BNFUTHPXMJPOOH-HXUWFJFHSA-N 1 0 305.421 4.900 50 0 DJAARO O=C(c1cccc(Cl)c1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000002515007 563305080 /nfs/dbraw/zinc/30/50/80/563305080.db2.gz AFZGZTFPZKDHAF-UHFFFAOYSA-N 1 0 313.828 4.557 50 0 DJAARO Cc1cccc(C)c1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000002515014 563305284 /nfs/dbraw/zinc/30/52/84/563305284.db2.gz PGVNJKLQEMXADW-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO Cc1ccc(C(C)C)c(OCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000002839770 563314353 /nfs/dbraw/zinc/31/43/53/563314353.db2.gz RCPSBCNJFQYDLM-UHFFFAOYSA-N 1 0 323.480 4.946 50 0 DJAARO CC(C)Oc1ccc(OCCCC[NH+]2CCCCCC2)cc1 ZINC000002839442 563314397 /nfs/dbraw/zinc/31/43/97/563314397.db2.gz QFSXUNOSXDNUBM-UHFFFAOYSA-N 1 0 305.462 4.509 50 0 DJAARO Cc1cc(Cl)cc(Cl)c1OCCC[NH+]1CCCCC1 ZINC000002931458 563318379 /nfs/dbraw/zinc/31/83/79/563318379.db2.gz VUYKOEXPYLYBRC-UHFFFAOYSA-N 1 0 302.245 4.557 50 0 DJAARO Cc1ccc(C(C)(C)C)c(OCCCC[NH+]2CCCCC2)c1 ZINC000003000392 563320329 /nfs/dbraw/zinc/32/03/29/563320329.db2.gz RTSUSNNBALXKNQ-UHFFFAOYSA-N 1 0 303.490 4.937 50 0 DJAARO c1ccc(-c2ccccc2OCCCC[NH+]2CCCCC2)cc1 ZINC000003001153 563320639 /nfs/dbraw/zinc/32/06/39/563320639.db2.gz SHFSYRGBXUYCKE-UHFFFAOYSA-N 1 0 309.453 4.999 50 0 DJAARO CC1=C(CC[NH+]2CCN(c3ccccc3)CC2)C(C)(C)CCC1 ZINC000004980213 563328247 /nfs/dbraw/zinc/32/82/47/563328247.db2.gz JGABPTPSCQTIIC-UHFFFAOYSA-N 1 0 312.501 4.725 50 0 DJAARO Cc1ccc(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)c(C)c1 ZINC000097465651 563350694 /nfs/dbraw/zinc/35/06/94/563350694.db2.gz FDGSRORLZSVTOQ-UHFFFAOYSA-N 1 0 323.358 4.534 50 0 DJAARO CC(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000010436029 563357062 /nfs/dbraw/zinc/35/70/62/563357062.db2.gz LAZIVNQBCRKMEM-UHFFFAOYSA-N 1 0 307.796 4.556 50 0 DJAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000012001959 563360883 /nfs/dbraw/zinc/36/08/83/563360883.db2.gz NUPZIZLEOOWBQH-UHFFFAOYSA-N 1 0 310.441 4.579 50 0 DJAARO CC[N@@H+]1[C@@H](c2ccccc2)[C@H](C)C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000013468439 563382147 /nfs/dbraw/zinc/38/21/47/563382147.db2.gz SFCJAXKHIYXCGG-CPLUKWAASA-N 1 0 307.437 4.646 50 0 DJAARO CCC(C)(C)c1ccc(C[C@@H](C)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000013512582 563382865 /nfs/dbraw/zinc/38/28/65/563382865.db2.gz MQHLMHIZUIDKOO-KURKYZTESA-N 1 0 317.517 4.662 50 0 world DJAARO C[C@H](COc1cccc2ccccc21)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000013764308 563388537 /nfs/dbraw/zinc/38/85/37/563388537.db2.gz CNIUMNFDNVKUAK-KURKYZTESA-N 1 0 311.469 4.833 50 0 DJAARO Clc1ccc(-c2cc(C[N@@H+]3CCc4ccccc4C3)on2)cc1 ZINC000014241636 563398762 /nfs/dbraw/zinc/39/87/62/563398762.db2.gz TVWMCYFWDNVPAH-UHFFFAOYSA-N 1 0 324.811 4.553 50 0 DJAARO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015074946 563406881 /nfs/dbraw/zinc/40/68/81/563406881.db2.gz DBZMDKLQSGLMBX-OAHLLOKOSA-N 1 0 305.849 4.567 50 0 DJAARO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000026480330 563426097 /nfs/dbraw/zinc/42/60/97/563426097.db2.gz MFVQUZVRKSAENE-QGZVFWFLSA-N 1 0 324.468 4.577 50 0 DJAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@]1(C)O ZINC000252426822 563452057 /nfs/dbraw/zinc/45/20/57/563452057.db2.gz MLVGPNYZXZFREZ-ODQRPKBASA-N 1 0 323.480 4.876 50 0 DJAARO Cc1cccc(SC2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000067654703 563488740 /nfs/dbraw/zinc/48/87/40/563488740.db2.gz MLCMQUBZRPPEGO-UHFFFAOYSA-N 1 0 303.393 4.504 50 0 DJAARO CCOc1ccc2[nH+]c(C)cc(Nc3cccc(OC)c3)c2c1 ZINC000000071854 563522652 /nfs/dbraw/zinc/52/26/52/563522652.db2.gz FZJAUHAAGDLTTF-UHFFFAOYSA-N 1 0 308.381 4.694 50 0 DJAARO CCCCC[NH+](CCCCC)CC(=O)Nc1ccccc1C ZINC000033639687 563595519 /nfs/dbraw/zinc/59/55/19/563595519.db2.gz NRPJKPHXEKIUCU-UHFFFAOYSA-N 1 0 304.478 4.616 50 0 DJAARO COc1ccc(CC[C@@H](C)[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000012383439 563652190 /nfs/dbraw/zinc/65/21/90/563652190.db2.gz WKMFTEHGKNWABE-OAHLLOKOSA-N 1 0 317.860 4.502 50 0 DJAARO c1csc(-c2nc(C[N@@H+]3CCC[C@H]3C3CCCCC3)co2)c1 ZINC000048324835 563696279 /nfs/dbraw/zinc/69/62/79/563696279.db2.gz GIULYZIRLQKQDX-INIZCTEOSA-N 1 0 316.470 4.948 50 0 DJAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(C)O ZINC000013424384 563769173 /nfs/dbraw/zinc/76/91/73/563769173.db2.gz BRKDPSAOJQTDPB-MXEMCNAFSA-N 1 0 309.453 4.630 50 0 DJAARO CCC[C@]1(O)C[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)[C@@H]1C ZINC000013750293 563773763 /nfs/dbraw/zinc/77/37/63/563773763.db2.gz WIWFYRAALDRLRH-UPZYVNNASA-N 1 0 323.480 4.972 50 0 DJAARO FC(F)SCc1ccc(C[NH2+][C@H]2CCc3ccccc32)o1 ZINC000035047677 563795579 /nfs/dbraw/zinc/79/55/79/563795579.db2.gz CPUVVPWLMYOWEY-HNNXBMFYSA-N 1 0 309.381 4.513 50 0 DJAARO O=C(CCCCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000001836372 563796087 /nfs/dbraw/zinc/79/60/87/563796087.db2.gz GPDWSJFEXHOPHY-NRFANRHFSA-N 1 0 321.464 4.919 50 0 DJAARO CC(C)[C@H]([NH2+]Cc1coc2ccccc12)c1nc2ccccc2[nH]1 ZINC000121003678 563807655 /nfs/dbraw/zinc/80/76/55/563807655.db2.gz AYAOTWQREIMVFL-IBGZPJMESA-N 1 0 319.408 4.796 50 0 DJAARO COc1ccc2cc(C[NH2+]Cc3ccc4c(c3)CCC4)ccc2c1 ZINC000083970345 563819856 /nfs/dbraw/zinc/81/98/56/563819856.db2.gz OTIZAAYRBMKTBR-UHFFFAOYSA-N 1 0 317.432 4.627 50 0 DJAARO CCC[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000084740769 563830555 /nfs/dbraw/zinc/83/05/55/563830555.db2.gz SXSWLKUQIYJNSH-UONOGXRCSA-N 1 0 319.474 4.761 50 0 DJAARO CCC1CCC(N2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)CC1 ZINC000239296773 563879692 /nfs/dbraw/zinc/87/96/92/563879692.db2.gz DGZHQCBZSBQFIX-CGNZLSCGSA-N 1 0 318.549 4.684 50 0 DJAARO CC(C)c1c[nH]nc1[C@@H]1CCC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000244866406 563881399 /nfs/dbraw/zinc/88/13/99/563881399.db2.gz VVOZPRDRWVBYSI-FUHWJXTLSA-N 1 0 311.473 4.516 50 0 DJAARO COc1ccc([C@H](C)[NH2+][C@@H]2COc3ccccc32)c2ccccc12 ZINC000089517229 563889255 /nfs/dbraw/zinc/88/92/55/563889255.db2.gz IZWASBMZWDKRCL-IFXJQAMLSA-N 1 0 319.404 4.633 50 0 DJAARO CC(C)[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1nc2ccccc2[nH]1 ZINC000170040498 563903024 /nfs/dbraw/zinc/90/30/24/563903024.db2.gz WGEABDDEHXFRGT-FZKQIMNGSA-N 1 0 311.404 4.750 50 0 DJAARO c1csc(-c2cc(C[N@@H+]3CCC[C@]4(CC=CCC4)C3)no2)c1 ZINC000170626886 563908824 /nfs/dbraw/zinc/90/88/24/563908824.db2.gz FKGITLWUKUNCEV-GOSISDBHSA-N 1 0 314.454 4.725 50 0 DJAARO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000089893402 563911970 /nfs/dbraw/zinc/91/19/70/563911970.db2.gz NKLNGKZLTXWUKK-KRWDZBQOSA-N 1 0 319.452 4.847 50 0 DJAARO C[C@@H]([NH2+][C@H](C)c1cnccn1)c1ccc(-c2ccccc2)cc1 ZINC000089904929 563912249 /nfs/dbraw/zinc/91/22/49/563912249.db2.gz CNEMOUHWCUKMJL-HZPDHXFCSA-N 1 0 303.409 4.555 50 0 DJAARO CCCC[N@@H+]1CCc2c(c3ccccc3n2Cc2ccccc2)C1 ZINC000002129354 563915225 /nfs/dbraw/zinc/91/52/25/563915225.db2.gz WSAQWMOUISYVFR-UHFFFAOYSA-N 1 0 318.464 4.848 50 0 biogenic DJAARO C[C@@H](N[C@@H](C)c1cccc(O)c1)c1nc(C(C)(C)C)cs1 ZINC000194886687 563918588 /nfs/dbraw/zinc/91/85/88/563918588.db2.gz XYTLDHUBGWNOMR-NWDGAFQWSA-N 1 0 304.459 4.558 50 0 DJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCOc2cccc3ccccc32)C1 ZINC000002295455 563925546 /nfs/dbraw/zinc/92/55/46/563925546.db2.gz JOERLAXSSSJOHH-HDICACEKSA-N 1 0 311.469 4.977 50 0 DJAARO CC[NH+](CC)C[C@H](Oc1ccccc1)c1ccccc1Cl ZINC000096026728 563935094 /nfs/dbraw/zinc/93/50/94/563935094.db2.gz ODNVJNRDIYJILI-SFHVURJKSA-N 1 0 303.833 4.802 50 0 DJAARO CC[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccccc1OC(F)F ZINC000096476587 563937180 /nfs/dbraw/zinc/93/71/80/563937180.db2.gz LTXIAUBDALNXNY-XHDPSFHLSA-N 1 0 324.346 4.624 50 0 DJAARO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)c(C)o1 ZINC000096476772 563937422 /nfs/dbraw/zinc/93/74/22/563937422.db2.gz UDNYGCOPTSABCS-OLZOCXBDSA-N 1 0 303.450 4.568 50 0 DJAARO c1csc(-c2cc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)no2)c1 ZINC000057590571 563941935 /nfs/dbraw/zinc/94/19/35/563941935.db2.gz ZCRCKCFAYICQFN-ZFWWWQNUSA-N 1 0 302.443 4.558 50 0 DJAARO CC(=[NH+]N(c1ccccc1)c1ccccc1)c1ccc(N)cc1 ZINC000004015740 563944992 /nfs/dbraw/zinc/94/49/92/563944992.db2.gz ZRESMWATKVYNQA-UHFFFAOYSA-N 1 0 301.393 4.831 50 0 DJAARO C[C@](CC[NH2+]Cc1ccco1)(Cc1ccccc1)c1ccco1 ZINC000032073467 563945090 /nfs/dbraw/zinc/94/50/90/563945090.db2.gz HYPOVYQFXGFAFP-FQEVSTJZSA-N 1 0 309.409 4.553 50 0 DJAARO Cc1ccccc1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008201802 563947100 /nfs/dbraw/zinc/94/71/00/563947100.db2.gz UPNSSFZSOXKLJL-UHFFFAOYSA-N 1 0 322.477 4.984 50 0 DJAARO CC(C)Oc1ccc([C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000008990827 563951829 /nfs/dbraw/zinc/95/18/29/563951829.db2.gz OSQKXYXKELABIZ-IEBWSBKVSA-N 1 0 319.489 4.718 50 0 DJAARO Cc1ccc2nc(Nc3cc[nH+]cc3)nc(-c3ccccc3)c2c1 ZINC000009524235 563956592 /nfs/dbraw/zinc/95/65/92/563956592.db2.gz RGDVMYKYOYMGDZ-UHFFFAOYSA-N 1 0 312.376 4.744 50 0 DJAARO O=C(c1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000071788917 563959571 /nfs/dbraw/zinc/95/95/71/563959571.db2.gz CUPBRMPSSUPUCV-LJQANCHMSA-N 1 0 311.400 4.626 50 0 DJAARO Clc1ccc([C@H]2C[C@H]([NH2+]C3CCSCC3)C2)cc1Cl ZINC000328594565 231236069 /nfs/dbraw/zinc/23/60/69/231236069.db2.gz UYFIKELSDKXHEJ-AULYBMBSSA-N 1 0 316.297 4.725 50 0 DJAARO CC(C)[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1nc2ccccc2[nH]1 ZINC000088670121 185262085 /nfs/dbraw/zinc/26/20/85/185262085.db2.gz NIOIQORMDKSZEG-IBGZPJMESA-N 1 0 318.424 4.531 50 0 DJAARO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C)c1ccc(F)cn1 ZINC000090114982 185282622 /nfs/dbraw/zinc/28/26/22/185282622.db2.gz SXMUGGNSXGORAM-XBCDXLOZSA-N 1 0 318.823 4.922 50 0 DJAARO C[C@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)c1cncc(F)c1 ZINC000095421078 185360322 /nfs/dbraw/zinc/36/03/22/185360322.db2.gz OGYJXZRTULVSHY-BONVTDFDSA-N 1 0 322.836 4.762 50 0 DJAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC000095468626 185372267 /nfs/dbraw/zinc/37/22/67/185372267.db2.gz ZIBBOYCVETUNMH-KRWDZBQOSA-N 1 0 302.421 4.942 50 0 DJAARO C[C@H](Nc1ccc(Cl)c(C[NH+](C)C)c1)c1ccc(F)cc1 ZINC000225605025 186282624 /nfs/dbraw/zinc/28/26/24/186282624.db2.gz REIMMDVFOXASOM-LBPRGKRZSA-N 1 0 306.812 4.714 50 0 DJAARO [NH3+]C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC000003370007 181012301 /nfs/dbraw/zinc/01/23/01/181012301.db2.gz ZPKMAEIACURLLY-CYBMUJFWSA-N 1 0 305.208 4.565 50 0 DJAARO [NH3+]C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC000003370004 181012341 /nfs/dbraw/zinc/01/23/41/181012341.db2.gz ZPKMAEIACURLLY-ZDUSSCGKSA-N 1 0 305.208 4.565 50 0 DJAARO CCC[C@]1(c2cccc(OC)c2)CC[N@H+](CCc2ccccc2)C1 ZINC000003634816 181042949 /nfs/dbraw/zinc/04/29/49/181042949.db2.gz GUNPVEYXZXMUHW-QFIPXVFZSA-N 1 0 323.480 4.682 50 0 DJAARO CC(C)[C@]1(CC[NH2+]C/C=C/c2ccccc2)CCOC(C)(C)C1 ZINC000004085487 181071245 /nfs/dbraw/zinc/07/12/45/181071245.db2.gz RZZSOZXENAQHQI-OGECGYFKSA-N 1 0 315.501 4.911 50 0 biogenic DJAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)c2ccccc2)cc1C ZINC000004678987 181136272 /nfs/dbraw/zinc/13/62/72/181136272.db2.gz GLIDFNMHSYUYMZ-MRXNPFEDSA-N 1 0 305.425 4.544 50 0 DJAARO [NH3+]CC12C[C@@H]3C[C@H](C1)CC(c1ccc(Cl)c(Cl)c1)(C3)C2 ZINC000004838082 181160119 /nfs/dbraw/zinc/16/01/19/181160119.db2.gz YUIZCCUAZPUNCI-GKUGFIGPSA-N 1 0 310.268 4.790 50 0 DJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccccc2-c2ccccc2)C1 ZINC000004906403 181171229 /nfs/dbraw/zinc/17/12/29/181171229.db2.gz PIIJMQPDMDUIKD-HDICACEKSA-N 1 0 309.453 4.710 50 0 DJAARO C[C@@H]1CCC[N@H+](CCOc2cccc(Oc3ccccc3)c2)C1 ZINC000004907167 181171559 /nfs/dbraw/zinc/17/15/59/181171559.db2.gz JBSPVQWXYLGOFN-QGZVFWFLSA-N 1 0 311.425 4.590 50 0 DJAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]CCc2cccc(F)c2)o1 ZINC000005031665 181194109 /nfs/dbraw/zinc/19/41/09/181194109.db2.gz UHIHTYFLLFIMGT-CQSZACIVSA-N 1 0 303.421 4.616 50 0 DJAARO c1ccc(C[NH+]2CCC(Nc3cccc4ccccc43)CC2)cc1 ZINC000005338331 181231821 /nfs/dbraw/zinc/23/18/21/181231821.db2.gz RZCBBFNTQSTYJK-UHFFFAOYSA-N 1 0 316.448 4.916 50 0 DJAARO CC(C)OC[C@@H](C)[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000005498285 181250055 /nfs/dbraw/zinc/25/00/55/181250055.db2.gz YLVIUZZWBBFBBV-GOSISDBHSA-N 1 0 311.469 4.612 50 0 DJAARO c1ccc2c(c1)CCc1c-2[nH+]c2ccccc2c1N1CCCC1 ZINC000005738793 181279090 /nfs/dbraw/zinc/27/90/90/181279090.db2.gz YLWQXHPCJHHAGE-UHFFFAOYSA-N 1 0 300.405 4.601 50 0 DJAARO Cc1ccc2c(C[NH2+]C3CCCCCCC3)cc(=O)oc2c1C ZINC000006553114 181354042 /nfs/dbraw/zinc/35/40/42/181354042.db2.gz YYEIQCKZUNFGLB-UHFFFAOYSA-N 1 0 313.441 4.612 50 0 DJAARO Cc1ccc2[nH]cc([C@@H](C[NH3+])c3ccc(C(F)(F)F)cc3)c2c1 ZINC000091690196 193091277 /nfs/dbraw/zinc/09/12/77/193091277.db2.gz SIBVTXTTWKRSGV-HNNXBMFYSA-N 1 0 318.342 4.586 50 0 DJAARO Cc1cc(C(C)(C)C)cc(C)c1CSC1=[NH+]CC(C)(C)CN1 ZINC000007760145 181493456 /nfs/dbraw/zinc/49/34/56/181493456.db2.gz WRGHBJXACVNJTP-UHFFFAOYSA-N 1 0 318.530 4.820 50 0 DJAARO Cc1cc(C)c(C)c(OCCCCCC[NH2+]Cc2ccco2)c1 ZINC000012860983 181804354 /nfs/dbraw/zinc/80/43/54/181804354.db2.gz BUEXFYIWKNAMGA-UHFFFAOYSA-N 1 0 315.457 4.934 50 0 DJAARO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000015836746 182020399 /nfs/dbraw/zinc/02/03/99/182020399.db2.gz IWHUTNKXMYPVPB-GOSISDBHSA-N 1 0 301.817 4.686 50 0 DJAARO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000015837445 182020465 /nfs/dbraw/zinc/02/04/65/182020465.db2.gz YYXXAZGHOKZGPJ-FQEVSTJZSA-N 1 0 313.416 4.952 50 0 DJAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000015837075 182020581 /nfs/dbraw/zinc/02/05/81/182020581.db2.gz BQBQAVUGVOFUKW-GOSISDBHSA-N 1 0 301.817 4.686 50 0 DJAARO CC[NH+](CC)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000019144231 182106098 /nfs/dbraw/zinc/10/60/98/182106098.db2.gz WHTVZRBIWZFKQO-AWEZNQCLSA-N 1 0 319.880 4.811 50 0 biogenic,fda DJAARO CC[C@H](C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(C)c2)C1 ZINC000019228945 182109245 /nfs/dbraw/zinc/10/92/45/182109245.db2.gz SWUDAORZJLYOIE-MAUKXSAKSA-N 1 0 311.473 4.611 50 0 DJAARO FC(F)(F)c1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000019720967 182138759 /nfs/dbraw/zinc/13/87/59/182138759.db2.gz KHFPAEHRLSIEHL-UHFFFAOYSA-N 1 0 318.342 4.519 50 0 DJAARO CC[NH+](CC)c1ccc(NCc2ccc(OC(C)C)cc2)cc1 ZINC000019737467 182140869 /nfs/dbraw/zinc/14/08/69/182140869.db2.gz ZDEZVFBRZFGQSZ-UHFFFAOYSA-N 1 0 312.457 4.932 50 0 DJAARO c1ccc2c(c1)cccc2CN1CC[NH+](C2CCCCCC2)CC1 ZINC000019853582 182157371 /nfs/dbraw/zinc/15/73/71/182157371.db2.gz VAIPUWCZQIDYSH-UHFFFAOYSA-N 1 0 322.496 4.680 50 0 DJAARO C[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)c1cccs1 ZINC000020148240 182192417 /nfs/dbraw/zinc/19/24/17/182192417.db2.gz JCBUUUZWBBBREJ-QWRGUYRKSA-N 1 0 310.260 4.922 50 0 DJAARO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cccc(Br)c1 ZINC000020148239 182192449 /nfs/dbraw/zinc/19/24/49/182192449.db2.gz JCBUUUZWBBBREJ-MNOVXSKESA-N 1 0 310.260 4.922 50 0 DJAARO C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)[C@@H]2CCCC[C@@H]12 ZINC000032928788 182682090 /nfs/dbraw/zinc/68/20/90/182682090.db2.gz XWEBGPXGDINQEI-BPQIPLTHSA-N 1 0 310.441 4.742 50 0 DJAARO Cc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2)s1 ZINC000042210088 183242957 /nfs/dbraw/zinc/24/29/57/183242957.db2.gz QTYPLYWUFDHEIU-LLVKDONJSA-N 1 0 310.260 4.670 50 0 DJAARO CC(C)(c1ccccc1)c1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042773140 183306701 /nfs/dbraw/zinc/30/67/01/183306701.db2.gz ZQPHSNSNUCMIRV-GOSISDBHSA-N 1 0 323.480 4.781 50 0 DJAARO C#[N+]c1ccc(Cl)cc1[C@@H](C)S(=O)(=O)c1ccc(C)cc1 ZINC000103402466 193927879 /nfs/dbraw/zinc/92/78/79/193927879.db2.gz PXUIYNLUNRJKPI-GFCCVEGCSA-N 1 0 319.813 4.734 50 0 DJAARO Clc1ccc(CN(Cc2nc3ccccc3o2)C2CC2)cc1 ZINC000059388086 184138169 /nfs/dbraw/zinc/13/81/69/184138169.db2.gz OTOFOHAARACWAT-UHFFFAOYSA-N 1 0 312.800 4.646 50 0 DJAARO c1cc(C[NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)cs1 ZINC000060970859 184159107 /nfs/dbraw/zinc/15/91/07/184159107.db2.gz YJRYECCSFUJLFV-UHFFFAOYSA-N 1 0 321.445 4.640 50 0 DJAARO CCC[C@@H]1[C@H](O)C[C@H](c2ccccc2)[NH+](C)[C@H]1c1ccccc1 ZINC000253488100 257214853 /nfs/dbraw/zinc/21/48/53/257214853.db2.gz WYTPYNYFQAORGV-NCYKPQTJSA-N 1 0 309.453 4.582 50 0 DJAARO Cc1cccc2c(-c3ccc(C[NH+]4CCCCC4)cn3)c[nH]c21 ZINC000426495578 257248535 /nfs/dbraw/zinc/24/85/35/257248535.db2.gz HRVGMQCDQXNVTF-UHFFFAOYSA-N 1 0 305.425 4.524 50 0 DJAARO COc1ccc(O)c(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)c1 ZINC000426374406 257252208 /nfs/dbraw/zinc/25/22/08/257252208.db2.gz QMOCGENDXVQNEZ-OAHLLOKOSA-N 1 0 311.425 4.615 50 0 DJAARO CSCc1ccc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)nc1 ZINC000426387086 257252469 /nfs/dbraw/zinc/25/24/69/257252469.db2.gz LBJDPSOCCRWSRG-OAHLLOKOSA-N 1 0 312.482 4.768 50 0 DJAARO CC(=O)c1ccc(F)cc1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000534577276 334288025 /nfs/dbraw/zinc/28/80/25/334288025.db2.gz VWYWXJDMWLHWGI-CQSZACIVSA-N 1 0 311.400 4.852 50 0 DJAARO CC(C)(C)C1CCC([NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000000221611 563231486 /nfs/dbraw/zinc/23/14/86/563231486.db2.gz HUGUUVAWHRXBOF-UHFFFAOYSA-N 1 0 318.480 4.553 50 0 DJAARO CC[NH+](CC)P(OCc1ccccc1)OCc1ccccc1 ZINC000000388494 563249246 /nfs/dbraw/zinc/24/92/46/563249246.db2.gz NLGUJOVLAXLSMX-UHFFFAOYSA-N 1 0 317.369 4.989 50 0 in-vitro DJAARO c1ccc(C2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000001229334 563280158 /nfs/dbraw/zinc/28/01/58/563280158.db2.gz VKCHACDTSFSPJM-UHFFFAOYSA-N 1 0 320.480 4.535 50 0 DJAARO CC(C)=CCCCCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000002498432 563304476 /nfs/dbraw/zinc/30/44/76/563304476.db2.gz SLYOEZMANLOLJS-UHFFFAOYSA-N 1 0 318.480 4.864 50 0 DJAARO C[N@H+](Cc1ccccc1)Cc1cncc(-c2ccc(F)cc2F)c1 ZINC000034675582 563311409 /nfs/dbraw/zinc/31/14/09/563311409.db2.gz XYPKKUZGJLNQEM-UHFFFAOYSA-N 1 0 324.374 4.659 50 0 DJAARO CCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccccc2)cc1OC ZINC000002886271 563316879 /nfs/dbraw/zinc/31/68/79/563316879.db2.gz AMLYGHXFUWIYIV-CYBMUJFWSA-N 1 0 319.832 4.598 50 0 DJAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000008325996 563345828 /nfs/dbraw/zinc/34/58/28/563345828.db2.gz DWHRYRVKZNPFQV-CQSZACIVSA-N 1 0 303.833 4.807 50 0 DJAARO CC(C)=CC[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(C)cc2)C1 ZINC000011911055 563360190 /nfs/dbraw/zinc/36/01/90/563360190.db2.gz LCFLVTVNBZEGJL-SFHVURJKSA-N 1 0 309.457 4.531 50 0 DJAARO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CCC(C)C)C2)cc1 ZINC000012055386 563360962 /nfs/dbraw/zinc/36/09/62/563360962.db2.gz WJEDWCAIPBQFDP-SFHVURJKSA-N 1 0 311.473 4.611 50 0 DJAARO Cc1oc(-c2ccoc2)nc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000012386291 563368437 /nfs/dbraw/zinc/36/84/37/563368437.db2.gz PNGNJLSQFLUYTC-KRWDZBQOSA-N 1 0 322.408 4.623 50 0 DJAARO Clc1ccc(OCC2CC[NH2+]CC2)c(C2CCCCC2)c1 ZINC000014631518 563402215 /nfs/dbraw/zinc/40/22/15/563402215.db2.gz WRQHLQFLLRGQCJ-UHFFFAOYSA-N 1 0 307.865 4.766 50 0 DJAARO Brc1csc(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000020306053 563416664 /nfs/dbraw/zinc/41/66/64/563416664.db2.gz OWEIENIRYIYPDE-OAHLLOKOSA-N 1 0 322.271 4.678 50 0 DJAARO CCC[N@H+](Cc1ccccc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018623 563443925 /nfs/dbraw/zinc/44/39/25/563443925.db2.gz ZTFAXFDSRFLDDH-UHFFFAOYSA-N 1 0 321.420 4.514 50 0 DJAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)ccc1O ZINC000033087322 563444201 /nfs/dbraw/zinc/44/42/01/563444201.db2.gz DPBWVAUYVIKIDR-OAHLLOKOSA-N 1 0 317.454 4.580 50 0 DJAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]CCc2ccccc2F)o1 ZINC000022077592 563448747 /nfs/dbraw/zinc/44/87/47/563448747.db2.gz OIUBWYJUAOCTHK-AWEZNQCLSA-N 1 0 303.421 4.616 50 0 DJAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]CCc2ccccc2F)o1 ZINC000022077594 563449037 /nfs/dbraw/zinc/44/90/37/563449037.db2.gz OIUBWYJUAOCTHK-CQSZACIVSA-N 1 0 303.421 4.616 50 0 DJAARO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(OC(C)(C)C)cc2)s1 ZINC000097143465 563506596 /nfs/dbraw/zinc/50/65/96/563506596.db2.gz UGFVBTPDFLHBLN-AWEZNQCLSA-N 1 0 318.486 4.522 50 0 DJAARO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(N(C)C)cc3)c2c1 ZINC000000071875 563522878 /nfs/dbraw/zinc/52/28/78/563522878.db2.gz KDWYQXRDCTWRIT-UHFFFAOYSA-N 1 0 321.424 4.752 50 0 DJAARO Clc1ccc2nc(-c3cccnc3)c(Nc3ccccc3)n2c1 ZINC000002468926 563524198 /nfs/dbraw/zinc/52/41/98/563524198.db2.gz IRGQNKQZQYKEQZ-UHFFFAOYSA-N 1 0 320.783 4.793 50 0 DJAARO C[C@H](c1ccc(-c2cnn(CC3CC3)c2)cc1)[NH+]1CCCCC1 ZINC000096133358 563533382 /nfs/dbraw/zinc/53/33/82/563533382.db2.gz BPCIEEOHPLRTQS-MRXNPFEDSA-N 1 0 309.457 4.507 50 0 DJAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(C)c3C)c2c1 ZINC000000144066 563573203 /nfs/dbraw/zinc/57/32/03/563573203.db2.gz BKYVOYNQHRGFHE-UHFFFAOYSA-N 1 0 320.392 4.690 50 0 DJAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(F)cc3)c2c1 ZINC000000144322 563573243 /nfs/dbraw/zinc/57/32/43/563573243.db2.gz XYNHBEZJNHWNAO-UHFFFAOYSA-N 1 0 324.355 4.603 50 0 DJAARO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1ccccc1Br ZINC000050340936 563584823 /nfs/dbraw/zinc/58/48/23/563584823.db2.gz CDEUGZHQUFQCFZ-WDEREUQCSA-N 1 0 310.260 4.922 50 0 DJAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]Cc1ccc(F)cc1 ZINC000000287021 563585470 /nfs/dbraw/zinc/58/54/70/563585470.db2.gz PSRWWQVARJZAIO-LJQANCHMSA-N 1 0 308.400 4.783 50 0 DJAARO COc1ccc(/C=C/C2=CC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000001226979 563633583 /nfs/dbraw/zinc/63/35/83/563633583.db2.gz RGHSPMZTWRXXIM-BQYQJAHWSA-N 1 0 305.421 4.541 50 0 DJAARO FC(F)(F)Sc1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000019999314 563677537 /nfs/dbraw/zinc/67/75/37/563677537.db2.gz QIWMDZURHMDPLJ-UHFFFAOYSA-N 1 0 303.374 4.650 50 0 DJAARO c1csc(-c2cc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)no2)c1 ZINC000106858626 563682355 /nfs/dbraw/zinc/68/23/55/563682355.db2.gz ZCRCKCFAYICQFN-UKRRQHHQSA-N 1 0 302.443 4.558 50 0 DJAARO c1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000048333473 563696364 /nfs/dbraw/zinc/69/63/64/563696364.db2.gz RRUCEMRMNHUFEA-HXUWFJFHSA-N 1 0 318.420 4.549 50 0 DJAARO CC(C)SCC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000225771530 563762940 /nfs/dbraw/zinc/76/29/40/563762940.db2.gz YKKSTMNUYKHMFB-CYBMUJFWSA-N 1 0 309.372 4.550 50 0 DJAARO O=C(CCCCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000001836373 563796154 /nfs/dbraw/zinc/79/61/54/563796154.db2.gz GPDWSJFEXHOPHY-OAQYLSRUSA-N 1 0 321.464 4.919 50 0 DJAARO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000083823611 563812378 /nfs/dbraw/zinc/81/23/78/563812378.db2.gz QWYMQABRNFIAJB-SJORKVTESA-N 1 0 319.452 4.847 50 0 DJAARO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc3ccccc32)cc1 ZINC000084148694 563824338 /nfs/dbraw/zinc/82/43/38/563824338.db2.gz KJWJDCRLJXHVJK-KKSFZXQISA-N 1 0 305.421 4.532 50 0 DJAARO Cc1ccc2c([n+]1C)[C@H](C)C2=C(c1ccccc1)c1ccccc1 ZINC000045070132 563848001 /nfs/dbraw/zinc/84/80/01/563848001.db2.gz DKYATHPCMJHEAE-QGZVFWFLSA-N 1 0 312.436 4.896 50 0 DJAARO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccccc1 ZINC000012877940 563850706 /nfs/dbraw/zinc/85/07/06/563850706.db2.gz UVGMZSZZUWAPHC-JKSUJKDBSA-N 1 0 318.420 4.518 50 0 DJAARO C[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1)C(=O)Nc1ccccc1 ZINC000012877951 563850729 /nfs/dbraw/zinc/85/07/29/563850729.db2.gz UVGMZSZZUWAPHC-HZPDHXFCSA-N 1 0 318.420 4.518 50 0 DJAARO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827090 563878172 /nfs/dbraw/zinc/87/81/72/563878172.db2.gz PZMKRRTWCFWTMK-GOEBONIOSA-N 1 0 324.399 4.908 50 0 DJAARO CCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H]1C ZINC000239338979 563879906 /nfs/dbraw/zinc/87/99/06/563879906.db2.gz LNIGRARLURFSQQ-DBOLQNLKSA-N 1 0 309.453 4.630 50 0 DJAARO Cc1ncsc1[C@H](C)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000089516926 563889444 /nfs/dbraw/zinc/88/94/44/563889444.db2.gz WWIMZWBKGWBTBC-BBRMVZONSA-N 1 0 300.471 4.915 50 0 DJAARO C[N@H+](CCCOc1cccc2ccccc21)Cc1ccccc1 ZINC000002823093 563913121 /nfs/dbraw/zinc/91/31/21/563913121.db2.gz VKXTUQXJIKNMPE-UHFFFAOYSA-N 1 0 305.421 4.741 50 0 DJAARO CC[C@@H](C)[NH2+]CCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000002825350 563913133 /nfs/dbraw/zinc/91/31/33/563913133.db2.gz JZHIXFGGSZLEKB-QGZVFWFLSA-N 1 0 311.469 4.779 50 0 DJAARO C[C@@H](N[C@@H](C)c1nc(C(C)(C)C)cs1)c1cccc(O)c1 ZINC000194886676 563918500 /nfs/dbraw/zinc/91/85/00/563918500.db2.gz XYTLDHUBGWNOMR-NEPJUHHUSA-N 1 0 304.459 4.558 50 0 DJAARO C[C@@H](N[C@H](C)c1cccc(O)c1)c1nc(C(C)(C)C)cs1 ZINC000194886700 563918621 /nfs/dbraw/zinc/91/86/21/563918621.db2.gz XYTLDHUBGWNOMR-VXGBXAGGSA-N 1 0 304.459 4.558 50 0 DJAARO CCOc1ccc(Nc2c3c([nH+]c4ccccc42)CCC3)cc1 ZINC000002456121 563929272 /nfs/dbraw/zinc/92/92/72/563929272.db2.gz UWKVVUBSBFVGHE-UHFFFAOYSA-N 1 0 304.393 4.866 50 0 DJAARO Cc1ccc(C[NH2+]Cc2cccc3cccnc32)c(OC(C)C)c1 ZINC000095964925 563932725 /nfs/dbraw/zinc/93/27/25/563932725.db2.gz APIMVZDHRRNLQZ-UHFFFAOYSA-N 1 0 320.436 4.620 50 0 DJAARO C[NH+](C)CCS[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000096026379 563935022 /nfs/dbraw/zinc/93/50/22/563935022.db2.gz BLZIUBBMTFKITD-KRWDZBQOSA-N 1 0 305.874 4.724 50 0 DJAARO CC[NH+](CC)CCn1nc2cc(C)sc3c2c1ccc3Cl ZINC000096027789 563935050 /nfs/dbraw/zinc/93/50/50/563935050.db2.gz XXVUGZRCECNJBA-UHFFFAOYSA-N 1 0 321.877 4.555 50 0 DJAARO CC[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccccc1OC(F)F ZINC000096476590 563937215 /nfs/dbraw/zinc/93/72/15/563937215.db2.gz LTXIAUBDALNXNY-IAQYHMDHSA-N 1 0 324.346 4.624 50 0 DJAARO Clc1ccc(-[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 ZINC000002684349 563940436 /nfs/dbraw/zinc/94/04/36/563940436.db2.gz QXOYHPQBMKLTEW-UHFFFAOYSA-N 1 0 323.847 4.812 50 0 DJAARO C[C@@H]([NH2+]CCCO[C@@H](C)c1ccccc1)c1ccnc(Cl)c1 ZINC000163382323 563943914 /nfs/dbraw/zinc/94/39/14/563943914.db2.gz OPXQPEKJCVWJNK-CABCVRRESA-N 1 0 318.848 4.554 50 0 DJAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2ccc(Cl)cc2c1=O ZINC000008700886 563949775 /nfs/dbraw/zinc/94/97/75/563949775.db2.gz LOKNTKRLDJOAIV-UHFFFAOYSA-N 1 0 306.837 4.524 50 0 DJAARO CCC[NH+](CCC)Cc1c(C)[nH]c2c(Cl)cccc2c1=O ZINC000008717548 563950150 /nfs/dbraw/zinc/95/01/50/563950150.db2.gz KXXLJFXIUCYZGY-UHFFFAOYSA-N 1 0 306.837 4.524 50 0 DJAARO CC(C)Oc1ccc([C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000008990828 563951944 /nfs/dbraw/zinc/95/19/44/563951944.db2.gz OSQKXYXKELABIZ-HKUYNNGSSA-N 1 0 319.489 4.718 50 0 DJAARO CCCC[N@@H+]1CC[C@@H](OC(c2ccccc2)c2ccccc2)C1 ZINC000033639066 568412913 /nfs/dbraw/zinc/41/29/13/568412913.db2.gz QFGBDMAJXGJVDT-HXUWFJFHSA-N 1 0 309.453 4.667 50 0 DJAARO C[N@@H+]1CCC[C@@H](CN2c3ccccc3Sc3ccccc32)C1 ZINC000003683831 568417294 /nfs/dbraw/zinc/41/72/94/568417294.db2.gz CBHCDHNUZWWAPP-OAHLLOKOSA-N 1 0 310.466 4.631 50 0 biogenic,in-man DJAARO Cc1nc2sccn2c1[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000095466861 185372095 /nfs/dbraw/zinc/37/20/95/185372095.db2.gz CGUTYTRUJRYWGW-CYBMUJFWSA-N 1 0 313.470 4.678 50 0 DJAARO CC[C@H]([NH2+][C@H](C)c1ccc(SC)c(OC)c1)c1ccncc1 ZINC000097017087 185397405 /nfs/dbraw/zinc/39/74/05/185397405.db2.gz PFEMNITWXBJBMZ-CJNGLKHVSA-N 1 0 316.470 4.614 50 0 DJAARO Fc1ccc([C@@H]([NH2+]Cc2ccnc(Cl)c2)C2CCC2)cc1 ZINC000072273966 191095341 /nfs/dbraw/zinc/09/53/41/191095341.db2.gz WEZQVQWDVLJGAZ-KRWDZBQOSA-N 1 0 304.796 4.505 50 0 DJAARO Fc1ccc(-c2ccc(C[NH2+][C@@H]3CCc4ccccc43)o2)cc1 ZINC000072288043 191107367 /nfs/dbraw/zinc/10/73/67/191107367.db2.gz ANTLLUMOUAXQHR-LJQANCHMSA-N 1 0 307.368 4.863 50 0 DJAARO C[N@@H+]1CCC[C@H]1c1c[nH]c2ccc(OCc3ccccc3)cc21 ZINC000002019258 180906049 /nfs/dbraw/zinc/90/60/49/180906049.db2.gz SLFSSUKLMIHWLW-FQEVSTJZSA-N 1 0 306.409 4.514 50 0 DJAARO Clc1cccc(Cl)c1OCCCC[NH+]1CCCCC1 ZINC000002931307 180970897 /nfs/dbraw/zinc/97/08/97/180970897.db2.gz AUAPWQAQCKXSNC-UHFFFAOYSA-N 1 0 302.245 4.638 50 0 DJAARO CC[NH+](CC)CCNc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000003326572 181005360 /nfs/dbraw/zinc/00/53/60/181005360.db2.gz HFHLTMLLTDEMSZ-UHFFFAOYSA-N 1 0 323.893 4.526 50 0 DJAARO Cc1cc2oc(=O)cc(C[N@@H+]3CCCC[C@@H]3C)c2cc1C(C)C ZINC000003348968 181009819 /nfs/dbraw/zinc/00/98/19/181009819.db2.gz QNCWBBRDUXIFFV-HNNXBMFYSA-N 1 0 313.441 4.599 50 0 DJAARO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000004030991 181065311 /nfs/dbraw/zinc/06/53/11/181065311.db2.gz XGRXZYRAXFHXCA-PCCBWWKXSA-N 1 0 309.453 4.518 50 0 DJAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)[NH+]1CCC(C)CC1 ZINC000004247770 181087678 /nfs/dbraw/zinc/08/76/78/181087678.db2.gz CABFEBBOJPREEP-OAQYLSRUSA-N 1 0 319.452 4.693 50 0 DJAARO CCOc1ccc(C[NH2+]CC2(c3ccccc3)CCCC2)cc1 ZINC000004762803 181148747 /nfs/dbraw/zinc/14/87/47/181148747.db2.gz GDLLFWFTHADVGH-UHFFFAOYSA-N 1 0 309.453 4.687 50 0 DJAARO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000004989542 181185894 /nfs/dbraw/zinc/18/58/94/181185894.db2.gz KTPDRCHSIMMQGG-KKSFZXQISA-N 1 0 309.453 4.684 50 0 DJAARO Cc1ccccc1[C@]1(CC[NH+]2CCCCC2)CCOC(C)(C)C1 ZINC000005323940 181229625 /nfs/dbraw/zinc/22/96/25/181229625.db2.gz KAZIDGJQPDRPEV-OAQYLSRUSA-N 1 0 315.501 4.698 50 0 DJAARO CCOc1ccc2[nH+]c(C)cc(Nc3ccccc3OC)c2c1 ZINC000006026684 181306891 /nfs/dbraw/zinc/30/68/91/181306891.db2.gz WKGVXFYGXMCPRG-UHFFFAOYSA-N 1 0 308.381 4.694 50 0 DJAARO CCCn1c(C)cc(C[NH2+]CCSCc2cccs2)c1C ZINC000006651310 181365420 /nfs/dbraw/zinc/36/54/20/181365420.db2.gz KUGRRQMUOMLNIX-UHFFFAOYSA-N 1 0 322.543 4.599 50 0 DJAARO Cc1ccc2[nH]cc([C@H](C[NH3+])c3cccc(C(F)(F)F)c3)c2c1 ZINC000091690211 193092152 /nfs/dbraw/zinc/09/21/52/193092152.db2.gz HPPFHHUEIHXERW-OAHLLOKOSA-N 1 0 318.342 4.586 50 0 DJAARO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cccc3ccccc32)cc1 ZINC000008751144 181583100 /nfs/dbraw/zinc/58/31/00/181583100.db2.gz UWYCWLLVDGRFBS-HNNXBMFYSA-N 1 0 318.420 4.649 50 0 DJAARO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000015837243 182020106 /nfs/dbraw/zinc/02/01/06/182020106.db2.gz HQMKBCFYCQGEKO-HXUWFJFHSA-N 1 0 313.416 4.950 50 0 DJAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000015866884 182023369 /nfs/dbraw/zinc/02/33/69/182023369.db2.gz UZTLBZCIFVWDBP-OAHLLOKOSA-N 1 0 324.346 4.647 50 0 DJAARO CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000019144226 182106140 /nfs/dbraw/zinc/10/61/40/182106140.db2.gz WHTVZRBIWZFKQO-CQSZACIVSA-N 1 0 319.880 4.811 50 0 fda DJAARO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000019635916 182134468 /nfs/dbraw/zinc/13/44/68/182134468.db2.gz ZSWRQRNLWSSBGX-LBPRGKRZSA-N 1 0 324.251 4.723 50 0 DJAARO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000019635912 182134639 /nfs/dbraw/zinc/13/46/39/182134639.db2.gz ZSWRQRNLWSSBGX-GFCCVEGCSA-N 1 0 324.251 4.723 50 0 DJAARO CC[NH+](CC)c1ccc(NCCc2ccc(Cl)cc2)cc1 ZINC000019738576 182141144 /nfs/dbraw/zinc/14/11/44/182141144.db2.gz DTLJSXKJSJUXPB-UHFFFAOYSA-N 1 0 302.849 4.841 50 0 DJAARO CC(C)COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000019737611 182141234 /nfs/dbraw/zinc/14/12/34/182141234.db2.gz MZMKRMJJYZMUAB-UHFFFAOYSA-N 1 0 303.833 4.665 50 0 DJAARO CC[C@H](C[NH2+]Cc1ccccc1Cl)Oc1ccccc1C ZINC000019737607 182141252 /nfs/dbraw/zinc/14/12/52/182141252.db2.gz FHIXCPHRXXGNLD-MRXNPFEDSA-N 1 0 303.833 4.596 50 0 DJAARO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)[C@H](O)c1ccccc1 ZINC000019872176 182159104 /nfs/dbraw/zinc/15/91/04/182159104.db2.gz NATUZEAPAOKDTI-JTSKRJEESA-N 1 0 317.432 4.565 50 0 DJAARO C[C@H]1CCC[C@H]([NH+]2CCN(Cc3cccc4ccccc43)CC2)C1 ZINC000019889542 182160671 /nfs/dbraw/zinc/16/06/71/182160671.db2.gz CZCKYGJDLOMYKO-RXVVDRJESA-N 1 0 322.496 4.536 50 0 DJAARO Clc1ccccc1COc1ccccc1C[NH2+]C1CCCC1 ZINC000022074221 182307760 /nfs/dbraw/zinc/30/77/60/182307760.db2.gz PJVGRAJMAVJYAR-UHFFFAOYSA-N 1 0 315.844 4.951 50 0 DJAARO C[N@H+](Cc1ccccc1NC(=O)C1CCCC1)C1CCCCC1 ZINC000039969203 183026156 /nfs/dbraw/zinc/02/61/56/183026156.db2.gz NTEXZSWVGPTJQK-UHFFFAOYSA-N 1 0 314.473 4.580 50 0 DJAARO Cc1ccccc1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000040119463 183037940 /nfs/dbraw/zinc/03/79/40/183037940.db2.gz CTWACDMFEJYJTL-KRWDZBQOSA-N 1 0 322.452 4.622 50 0 DJAARO Clc1cc(Cl)c(OCC[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000042770306 183306655 /nfs/dbraw/zinc/30/66/55/183306655.db2.gz BOHCIOLGUUVHRD-LBPRGKRZSA-N 1 0 324.251 4.915 50 0 DJAARO Clc1cc(Cl)c(OCC[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000042772324 183307168 /nfs/dbraw/zinc/30/71/68/183307168.db2.gz ZDVVFTZVVYSXIK-VIFPVBQESA-N 1 0 308.636 4.558 50 0 DJAARO CC(C)(c1ccccc1)c1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000042773132 183307233 /nfs/dbraw/zinc/30/72/33/183307233.db2.gz GQNFXTSZFFQWHW-UHFFFAOYSA-N 1 0 323.480 4.781 50 0 DJAARO CCC(C)(C)c1ccc(OCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042771011 183307256 /nfs/dbraw/zinc/30/72/56/183307256.db2.gz ZYUMTHHTYLZEHS-CQSZACIVSA-N 1 0 309.881 4.796 50 0 DJAARO Cc1c(C)n(-c2ccc(C)cc2C)c2[nH+]c3c(c(N)c12)CCCC3 ZINC000044928666 183459052 /nfs/dbraw/zinc/45/90/52/183459052.db2.gz HZLWWWZAWDOQQO-UHFFFAOYSA-N 1 0 319.452 4.720 50 0 DJAARO O=C(c1c[nH]c2ccccc12)[C@@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000057392046 184037129 /nfs/dbraw/zinc/03/71/29/184037129.db2.gz JTHWPXMACDTQMJ-FQEVSTJZSA-N 1 0 318.420 4.624 50 0 DJAARO c1c(C[NH2+]C2CCCC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000061003334 184159575 /nfs/dbraw/zinc/15/95/75/184159575.db2.gz BUESLIFHVJUYTQ-UHFFFAOYSA-N 1 0 317.436 4.572 50 0 DJAARO C[C@H](c1cccc(-c2ncnc3sccc32)c1)[NH+]1CCCC1 ZINC000065394215 184334853 /nfs/dbraw/zinc/33/48/53/184334853.db2.gz DJVQAAKXIBEBOW-CYBMUJFWSA-N 1 0 309.438 4.515 50 0 DJAARO COc1ccc(O)c(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)c1 ZINC000426374405 257252246 /nfs/dbraw/zinc/25/22/46/257252246.db2.gz QMOCGENDXVQNEZ-HNNXBMFYSA-N 1 0 311.425 4.615 50 0 DJAARO CSCc1ccc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)nc1 ZINC000426387085 257252663 /nfs/dbraw/zinc/25/26/63/257252663.db2.gz LBJDPSOCCRWSRG-HNNXBMFYSA-N 1 0 312.482 4.768 50 0 DJAARO COc1ccc(C[C@@H](C)[N@H+](C)Cc2cccc3ccccc32)cc1 ZINC000003680968 257267538 /nfs/dbraw/zinc/26/75/38/257267538.db2.gz RZUKLYYDURBWJF-QGZVFWFLSA-N 1 0 319.448 4.911 50 0 DJAARO C[C@H]1C[C@H](C)C[NH+](CCCCOc2cccc3ccccc32)C1 ZINC000002295457 331469694 /nfs/dbraw/zinc/46/96/94/331469694.db2.gz JOERLAXSSSJOHH-ROUUACIJSA-N 1 0 311.469 4.977 50 0 DJAARO C[N@H+](CCCCOc1ccc(Cl)cc1)Cc1ccccc1 ZINC000003003364 563320580 /nfs/dbraw/zinc/32/05/80/563320580.db2.gz HFZMDKXLWIGDPG-UHFFFAOYSA-N 1 0 303.833 4.631 50 0 DJAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000030640258 563437238 /nfs/dbraw/zinc/43/72/38/563437238.db2.gz IAYDPFGVZNIIID-LLVKDONJSA-N 1 0 322.861 4.601 50 0 DJAARO C[NH+](C)CCS[C@@H](c1ccccc1)c1ccccc1Cl ZINC000096026366 563271102 /nfs/dbraw/zinc/27/11/02/563271102.db2.gz HWRTXUTWYRPEBE-KRWDZBQOSA-N 1 0 305.874 4.724 50 0 DJAARO CC(C)[C@H]1C[C@@](CC[NH+]2CCCCC2)(c2ccccc2)CCO1 ZINC000001193861 563279087 /nfs/dbraw/zinc/27/90/87/563279087.db2.gz UFMQWLIDSQXQNS-RTWAWAEBSA-N 1 0 315.501 4.635 50 0 DJAARO CC[NH+](CC)CCOC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000001590805 563286923 /nfs/dbraw/zinc/28/69/23/563286923.db2.gz QMDKAIXRLQZRGL-UHFFFAOYSA-N 1 0 320.477 4.824 50 0 DJAARO O=C(c1ccc(Cl)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000002514507 563305440 /nfs/dbraw/zinc/30/54/40/563305440.db2.gz MBGUQEKGDXYFSY-UHFFFAOYSA-N 1 0 313.828 4.557 50 0 DJAARO O=C(c1ccc(Cl)cc1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515505 563305801 /nfs/dbraw/zinc/30/58/01/563305801.db2.gz CQGQUILLCRZUNW-UHFFFAOYSA-N 1 0 313.828 4.557 50 0 DJAARO Cc1cc(C)cc(C(=O)c2ccccc2C[NH+]2CCCCC2)c1 ZINC000002515513 563306109 /nfs/dbraw/zinc/30/61/09/563306109.db2.gz SWEYWFHWJRZZHS-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO c1ccc(-c2ccccc2OCCC[NH+]2CCCCCC2)cc1 ZINC000002839693 563314208 /nfs/dbraw/zinc/31/42/08/563314208.db2.gz HEOAYOJFWWSGBM-UHFFFAOYSA-N 1 0 309.453 4.999 50 0 DJAARO Clc1cc(Cl)c(OCCC[NH+]2CCCCC2)c(Cl)c1 ZINC000002933109 563317963 /nfs/dbraw/zinc/31/79/63/563317963.db2.gz RMIMEQIIALZELB-UHFFFAOYSA-N 1 0 322.663 4.902 50 0 DJAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2ccc(F)cc2)cc1C ZINC000012302594 563365970 /nfs/dbraw/zinc/36/59/70/563365970.db2.gz JHINFPMOUWSQRT-HNNXBMFYSA-N 1 0 323.415 4.683 50 0 DJAARO CC(C)(c1ccccc1)c1ccc(OCCCn2ccnc2)cc1 ZINC000012381825 563367634 /nfs/dbraw/zinc/36/76/34/563367634.db2.gz SQJJEUQSZRABPS-UHFFFAOYSA-N 1 0 320.436 4.678 50 0 DJAARO CC(C)OCCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000013722058 563387459 /nfs/dbraw/zinc/38/74/59/563387459.db2.gz BPHBVDURABZIOK-UHFFFAOYSA-N 1 0 307.821 4.505 50 0 DJAARO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc3cccnc32)cc1 ZINC000025938103 563424396 /nfs/dbraw/zinc/42/43/96/563424396.db2.gz ARSJFZADYFPQAQ-IBGZPJMESA-N 1 0 324.374 4.850 50 0 DJAARO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cc(-c3ccccc3)no2)cc1 ZINC000028280957 563430703 /nfs/dbraw/zinc/43/07/03/563430703.db2.gz UUNPNWDUQLEHRB-HXUWFJFHSA-N 1 0 322.383 4.818 50 0 DJAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000030640363 563437471 /nfs/dbraw/zinc/43/74/71/563437471.db2.gz JDLHZAVSBWZARL-CYBMUJFWSA-N 1 0 316.832 4.539 50 0 DJAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2Cl)cc1 ZINC000030640391 563437585 /nfs/dbraw/zinc/43/75/85/563437585.db2.gz LDEBDUWGHXNMMZ-CYBMUJFWSA-N 1 0 316.832 4.539 50 0 DJAARO CC(C)=CCC[C@@H](C)CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000004980254 563450804 /nfs/dbraw/zinc/45/08/04/563450804.db2.gz BKEKIKXOSGPRMA-GOSISDBHSA-N 1 0 318.480 4.720 50 0 DJAARO Fc1cc(F)cc(NCc2cc(C[NH+]3CCCCC3)cs2)c1 ZINC000045796096 563465410 /nfs/dbraw/zinc/46/54/10/563465410.db2.gz CGJSBKKHBFSYLY-UHFFFAOYSA-N 1 0 322.424 4.624 50 0 DJAARO Cc1cc(C[NH+]2CCCC2)ccc1Oc1nccc2occc21 ZINC000067642238 563488853 /nfs/dbraw/zinc/48/88/53/563488853.db2.gz NSXPQHRCZXPZJG-UHFFFAOYSA-N 1 0 308.381 4.524 50 0 DJAARO CCc1cccc(Oc2ccc(C[NH+]3CCCC3)cc2OC)c1 ZINC000067842766 563492268 /nfs/dbraw/zinc/49/22/68/563492268.db2.gz SZIMGPCJQMLBID-UHFFFAOYSA-N 1 0 311.425 4.646 50 0 DJAARO COc1ccc([C@H](c2c(C)[nH]c3ccccc32)[NH+]2CCCC2)cc1 ZINC000000072144 563522437 /nfs/dbraw/zinc/52/24/37/563522437.db2.gz RFIZQHLXAMDZNS-OAQYLSRUSA-N 1 0 320.436 4.670 50 0 DJAARO COc1ccc([C@@H](c2c(C)[nH]c3ccccc32)[NH+]2CCCC2)cc1 ZINC000000072149 563522823 /nfs/dbraw/zinc/52/28/23/563522823.db2.gz RFIZQHLXAMDZNS-NRFANRHFSA-N 1 0 320.436 4.670 50 0 DJAARO CCC1(CC)O[C@@](CCC[NH2+]C)(c2ccccc2)c2ccccc21 ZINC000095918210 563530535 /nfs/dbraw/zinc/53/05/35/563530535.db2.gz YQWNJDDKZBFFJW-QFIPXVFZSA-N 1 0 323.480 4.975 50 0 DJAARO C[C@H]1CCCC[N@@H+]1Cc1cncc(-c2ccc(Cl)cc2)c1 ZINC000037553890 563597201 /nfs/dbraw/zinc/59/72/01/563597201.db2.gz OMGNATHLMZGOQC-AWEZNQCLSA-N 1 0 300.833 4.776 50 0 DJAARO c1coc(C[NH2+]CC[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000008991759 563626438 /nfs/dbraw/zinc/62/64/38/563626438.db2.gz PJSOPOCDCSDNCY-FQEVSTJZSA-N 1 0 305.421 4.786 50 0 DJAARO c1csc([C@@H]2CCCN2Cc2coc(-c3ccccc3)n2)c1 ZINC000048262096 563694198 /nfs/dbraw/zinc/69/41/98/563694198.db2.gz JAUIIRQVGWYJLQ-INIZCTEOSA-N 1 0 310.422 4.740 50 0 DJAARO c1csc(-c2nc(C[N@@H+]3CCC[C@@H]3C3CCCCC3)co2)c1 ZINC000048324834 563696580 /nfs/dbraw/zinc/69/65/80/563696580.db2.gz GIULYZIRLQKQDX-MRXNPFEDSA-N 1 0 316.470 4.948 50 0 DJAARO Cc1[nH]c2c(cccc2C[NH+]2CCC(c3ccncc3)CC2)c1C ZINC000215371085 563705234 /nfs/dbraw/zinc/70/52/34/563705234.db2.gz CWXLYRXQBSGMFU-UHFFFAOYSA-N 1 0 319.452 4.559 50 0 DJAARO c1[nH]nc([C@@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)c1-c1ccccc1 ZINC000216009395 563707591 /nfs/dbraw/zinc/70/75/91/563707591.db2.gz AEDTYTAUJPFSKJ-IEBWSBKVSA-N 1 0 321.468 4.612 50 0 DJAARO Cc1ccc2c([n+]1C)[C@@H](C)C2=C(c1ccccc1)c1ccccc1 ZINC000045070134 563848172 /nfs/dbraw/zinc/84/81/72/563848172.db2.gz DKYATHPCMJHEAE-KRWDZBQOSA-N 1 0 312.436 4.896 50 0 DJAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1ccc2ccccc2c1 ZINC000012877961 563850723 /nfs/dbraw/zinc/85/07/23/563850723.db2.gz UVGMZSZZUWAPHC-CVEARBPZSA-N 1 0 318.420 4.518 50 0 DJAARO CCC1CCC(N2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)CC1 ZINC000239296772 563879732 /nfs/dbraw/zinc/87/97/32/563879732.db2.gz DGZHQCBZSBQFIX-BOWFFMLLSA-N 1 0 318.549 4.684 50 0 DJAARO CCc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000075568135 563884770 /nfs/dbraw/zinc/88/47/70/563884770.db2.gz QLPCTHZGQRNNKE-SFHVURJKSA-N 1 0 322.496 4.564 50 0 DJAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2)c1 ZINC000036347930 563895327 /nfs/dbraw/zinc/89/53/27/563895327.db2.gz DTIYUDNKPQMFIK-JOCHJYFZSA-N 1 0 316.448 4.792 50 0 DJAARO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000036389918 563898029 /nfs/dbraw/zinc/89/80/29/563898029.db2.gz PZMKRRTWCFWTMK-HOCLYGCPSA-N 1 0 324.399 4.908 50 0 DJAARO Cc1nc(C)c(C[NH2+]C2(c3ccccc3)CCCCC2)s1 ZINC000076018119 563911699 /nfs/dbraw/zinc/91/16/99/563911699.db2.gz VUBKOYDHIHBGSK-UHFFFAOYSA-N 1 0 300.471 4.709 50 0 DJAARO Cc1cc(C)c(OCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(Cl)c1 ZINC000002823215 563913040 /nfs/dbraw/zinc/91/30/40/563913040.db2.gz XJKWPMGARWUVIU-GJZGRUSLSA-N 1 0 309.881 4.704 50 0 DJAARO CC[C@H](C)[NH2+]CCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000002825351 563913149 /nfs/dbraw/zinc/91/31/49/563913149.db2.gz JZHIXFGGSZLEKB-KRWDZBQOSA-N 1 0 311.469 4.779 50 0 DJAARO CC[N@@H+]1CC[C@@H](CN2c3ccccc3Sc3ccccc32)C1 ZINC000004558924 563915928 /nfs/dbraw/zinc/91/59/28/563915928.db2.gz DREIJDPUZJLEMI-OAHLLOKOSA-N 1 0 310.466 4.631 50 0 DJAARO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2CCC(C)C)cc1 ZINC000037522952 563918305 /nfs/dbraw/zinc/91/83/05/563918305.db2.gz DDDWGGYUPICZFN-NRFANRHFSA-N 1 0 310.485 4.892 50 0 DJAARO CC(C)(C)C1=C[C@H](c2ccccc2)[C@@H]2CCCC[C@@]23OCC[N@H+]13 ZINC000002227632 563920238 /nfs/dbraw/zinc/92/02/38/563920238.db2.gz PKMKJGOXZVPWQD-LVCYWYKZSA-N 1 0 311.469 4.933 50 0 DJAARO O[C@@H]1c2ccccc2C[N@H+]2CCCC[C@@H]2CC[C@@H]1c1ccccc1 ZINC000019925296 563923720 /nfs/dbraw/zinc/92/37/20/563923720.db2.gz XDZWVHJTGJTFQF-CEMLEFRQSA-N 1 0 321.464 4.652 50 0 DJAARO COc1ccccc1-c1ccc([C@H](C)[NH2+]Cc2ccncc2)cc1 ZINC000253417957 563925152 /nfs/dbraw/zinc/92/51/52/563925152.db2.gz PHRRRUAZRNFURR-INIZCTEOSA-N 1 0 318.420 4.608 50 0 DJAARO C[C@H](N[C@H](c1ccccc1)C1CC1)c1occc1Br ZINC000095967199 563932879 /nfs/dbraw/zinc/93/28/79/563932879.db2.gz NARUBECAUNHION-XHDPSFHLSA-N 1 0 320.230 4.844 50 0 DJAARO Cc1c2ccccc2oc1[C@@H]([NH2+][C@@H](C)c1cnccn1)C(C)C ZINC000095967926 563933099 /nfs/dbraw/zinc/93/30/99/563933099.db2.gz HZMADFNCONRIHY-KSSFIOAISA-N 1 0 309.413 4.579 50 0 DJAARO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc2ccccc2o1 ZINC000095968366 563933240 /nfs/dbraw/zinc/93/32/40/563933240.db2.gz KZJVIKMLZDLTAL-YJBOKZPZSA-N 1 0 309.409 4.597 50 0 DJAARO c1ccc([C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c2ccncc2)cc1 ZINC000095981661 563933978 /nfs/dbraw/zinc/93/39/78/563933978.db2.gz IKMIORSJIUAYGD-BDTNDASRSA-N 1 0 314.432 4.564 50 0 DJAARO CC(C)C[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccccn1 ZINC000096476678 563937198 /nfs/dbraw/zinc/93/71/98/563937198.db2.gz VNIHFPDSZUPQJK-LJQANCHMSA-N 1 0 305.425 4.507 50 0 DJAARO C[C@@](CC[NH2+]Cc1ccco1)(Cc1ccccc1)c1ccco1 ZINC000032073464 563945146 /nfs/dbraw/zinc/94/51/46/563945146.db2.gz HYPOVYQFXGFAFP-HXUWFJFHSA-N 1 0 309.409 4.553 50 0 DJAARO S=c1oc2ccc(Cl)cc2n1C[NH+]1CCCCCCC1 ZINC000007988957 563945923 /nfs/dbraw/zinc/94/59/23/563945923.db2.gz HQJTUIDSVRGJKL-UHFFFAOYSA-N 1 0 310.850 4.841 50 0 DJAARO CCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(F)cc2c1=O ZINC000008717334 563950209 /nfs/dbraw/zinc/95/02/09/563950209.db2.gz FXABBGBYASTRFO-UHFFFAOYSA-N 1 0 318.436 4.790 50 0 DJAARO COc1ccccc1[C@@H](CC[NH2+]Cc1ccco1)c1ccccc1 ZINC000009575753 563956954 /nfs/dbraw/zinc/95/69/54/563956954.db2.gz QIXFVPBWAOJSCK-IBGZPJMESA-N 1 0 321.420 4.600 50 0 DJAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2c(C)cc(C)cc2c1=O ZINC000009992734 563958117 /nfs/dbraw/zinc/95/81/17/563958117.db2.gz QGBPWXGFIAEBTJ-MRXNPFEDSA-N 1 0 312.457 4.630 50 0 DJAARO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C)c1ccc(F)cn1 ZINC000090114980 185282819 /nfs/dbraw/zinc/28/28/19/185282819.db2.gz SXMUGGNSXGORAM-CWRJPMGBSA-N 1 0 318.823 4.922 50 0 DJAARO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccncc2)c2ccccc12 ZINC000095419205 185359820 /nfs/dbraw/zinc/35/98/20/185359820.db2.gz NGJYDIVEKYFKEB-GJZGRUSLSA-N 1 0 306.409 4.655 50 0 DJAARO C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccsc1 ZINC000095420540 185360107 /nfs/dbraw/zinc/36/01/07/185360107.db2.gz JHASWZPELPRGKM-HNNXBMFYSA-N 1 0 324.449 4.573 50 0 DJAARO CC(C)(C)[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000048311836 190676949 /nfs/dbraw/zinc/67/69/49/190676949.db2.gz CBJLHJLPFZGZCK-FQEVSTJZSA-N 1 0 319.452 4.749 50 0 DJAARO C[C@@H](c1ccccc1[C@](O)(c1ccccc1)C(C)(C)C)[NH+](C)C ZINC000072437755 191166429 /nfs/dbraw/zinc/16/64/29/191166429.db2.gz JUYUTBYMCJGZKF-HRAATJIYSA-N 1 0 311.469 4.591 50 0 DJAARO Fc1ccc(C[NH2+]CC[C@H](Cc2ccccc2)c2ccco2)cc1 ZINC000002374614 180921502 /nfs/dbraw/zinc/92/15/02/180921502.db2.gz UHMGEDKDEHYYEM-LJQANCHMSA-N 1 0 323.411 4.925 50 0 DJAARO C([C@H]1COC2(CCCCCCCCCCC2)O1)[NH+]1CCCCC1 ZINC000004184278 181082391 /nfs/dbraw/zinc/08/23/91/181082391.db2.gz OIIPIUYWDFRYAK-IBGZPJMESA-N 1 0 323.521 4.889 50 0 DJAARO Cc1[nH]c2ccccc2c1[C@H](c1ccccn1)[NH+]1CCC(C)CC1 ZINC000004123464 181076813 /nfs/dbraw/zinc/07/68/13/181076813.db2.gz NBKDMBGWUXYCJB-NRFANRHFSA-N 1 0 319.452 4.693 50 0 DJAARO C[C@H](C[C@@H]1[NH2+]Cc2ccccc2-n2cccc21)c1ccccc1 ZINC000004188346 181083083 /nfs/dbraw/zinc/08/30/83/181083083.db2.gz VKQLZBAUQXLBJJ-APWZRJJASA-N 1 0 302.421 4.815 50 0 DJAARO O=C(CCC[NH+]1CCCCC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000004481416 181113031 /nfs/dbraw/zinc/11/30/31/181113031.db2.gz OHPSURDOCWFWPM-UHFFFAOYSA-N 1 0 319.448 4.707 50 0 DJAARO c1csc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000004657501 181133039 /nfs/dbraw/zinc/13/30/39/181133039.db2.gz NBJSYTGLGDBHFD-UHFFFAOYSA-N 1 0 309.434 4.617 50 0 DJAARO Cc1ccc(-c2c[nH+]c(NCc3ccc(Cl)cc3)n2C)cc1 ZINC000004678568 181135812 /nfs/dbraw/zinc/13/58/12/181135812.db2.gz JDRXDVFIMFYMBY-UHFFFAOYSA-N 1 0 311.816 4.661 50 0 DJAARO COc1ccc2ccccc2c1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000004695066 181137767 /nfs/dbraw/zinc/13/77/67/181137767.db2.gz NXJHVBQTAWEKDP-KRWDZBQOSA-N 1 0 319.448 4.959 50 0 DJAARO CC(C)(C)c1cc(Cl)ccc1OCCCC[NH+]1CCCC1 ZINC000004845145 181162556 /nfs/dbraw/zinc/16/25/56/181162556.db2.gz XAQRDMDOPLAYRL-UHFFFAOYSA-N 1 0 309.881 4.892 50 0 DJAARO COc1ccc(CC[NH2+]C2CCC(c3ccccc3)CC2)cc1 ZINC000004989498 181186010 /nfs/dbraw/zinc/18/60/10/181186010.db2.gz ZXDSEZJOSMBMRL-UHFFFAOYSA-N 1 0 309.453 4.554 50 0 DJAARO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000004990944 181186123 /nfs/dbraw/zinc/18/61/23/181186123.db2.gz VKXMCQPHXSDYHY-UHFFFAOYSA-N 1 0 322.452 4.542 50 0 DJAARO COC(=O)c1ccc(Nc2cc(C)[nH+]c3c(C)cc(C)cc23)cc1 ZINC000006626444 181362507 /nfs/dbraw/zinc/36/25/07/181362507.db2.gz QGNWXNHNLHNWCX-UHFFFAOYSA-N 1 0 320.392 4.690 50 0 DJAARO c1ccc(SCCC[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000006719358 181376763 /nfs/dbraw/zinc/37/67/63/181376763.db2.gz OKQKJELGHSNSRH-IBGZPJMESA-N 1 0 312.482 4.791 50 0 biogenic DJAARO Cc1c2c(c(C)n1-c1ccccc1)[C@]1(CCCC[C@H]1C)[NH2+]CC2 ZINC000015525255 182005203 /nfs/dbraw/zinc/00/52/03/182005203.db2.gz VPMXRBXAQBXEOI-QVKFZJNVSA-N 1 0 308.469 4.645 50 0 DJAARO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000015837436 182020311 /nfs/dbraw/zinc/02/03/11/182020311.db2.gz LSKZYGVCDTZEQI-HXUWFJFHSA-N 1 0 313.416 4.950 50 0 DJAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000015866883 182023035 /nfs/dbraw/zinc/02/30/35/182023035.db2.gz UZTLBZCIFVWDBP-HNNXBMFYSA-N 1 0 324.346 4.647 50 0 DJAARO CC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(Br)cc1 ZINC000020123529 182189418 /nfs/dbraw/zinc/18/94/18/182189418.db2.gz VTSQYDHJNYQZNQ-SWLSCSKDSA-N 1 0 319.246 4.646 50 0 DJAARO Cc1ccc(COc2cccc(C[NH2+]Cc3cccs3)c2)cc1 ZINC000020874452 182250519 /nfs/dbraw/zinc/25/05/19/182250519.db2.gz MXXLYPBDPXEMIX-UHFFFAOYSA-N 1 0 323.461 4.925 50 0 DJAARO Clc1ccccc1COc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000022074227 182307450 /nfs/dbraw/zinc/30/74/50/182307450.db2.gz KIIZHOLENWVHKU-UHFFFAOYSA-N 1 0 315.844 4.951 50 0 DJAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]CCc2c[nH]c3ccccc23)o1 ZINC000022077576 182308539 /nfs/dbraw/zinc/30/85/39/182308539.db2.gz SGUHJAXPBYMOQA-HNNXBMFYSA-N 1 0 324.468 4.958 50 0 DJAARO C[N@H+](Cc1cccc2cccnc21)[C@H]1CCCc2ccccc21 ZINC000022515762 182324488 /nfs/dbraw/zinc/32/44/88/182324488.db2.gz ICMLILRWQPMURU-FQEVSTJZSA-N 1 0 302.421 4.744 50 0 DJAARO CCc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)cc1 ZINC000040161547 183042188 /nfs/dbraw/zinc/04/21/88/183042188.db2.gz YPNPEHZHKIUNDY-INIZCTEOSA-N 1 0 324.468 4.662 50 0 DJAARO Clc1ccc(OCCC2CC[NH2+]CC2)c(-c2ccccc2)c1 ZINC000042771162 183306676 /nfs/dbraw/zinc/30/66/76/183306676.db2.gz IAYTWKVTVLJODJ-UHFFFAOYSA-N 1 0 315.844 4.776 50 0 DJAARO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000058160037 184081934 /nfs/dbraw/zinc/08/19/34/184081934.db2.gz AOYWLCSJUWFFFE-INIZCTEOSA-N 1 0 324.449 4.558 50 0 DJAARO CC(C)[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 ZINC000058425976 184116446 /nfs/dbraw/zinc/11/64/46/184116446.db2.gz OGSLXICCULIJEA-UHFFFAOYSA-N 1 0 319.836 4.543 50 0 DJAARO Cc1cccc(C)c1NC(=O)c1cccc(C[N@H+]2CCC[C@@H]2C)c1 ZINC000065426741 184342454 /nfs/dbraw/zinc/34/24/54/184342454.db2.gz YLSUUCBYRWCNCL-KRWDZBQOSA-N 1 0 322.452 4.540 50 0 DJAARO CC[C@@H]([NH2+]CCC1=CCCCC1)c1ccc(OC)c(OC)c1 ZINC000000312418 563629429 /nfs/dbraw/zinc/62/94/29/563629429.db2.gz BQAMJZYHAOMYLQ-QGZVFWFLSA-N 1 0 303.446 4.635 50 0 DJAARO Cc1ccc2[nH+]c3c(c(Nc4ccc(N(C)C)cc4)c2c1)CCC3 ZINC000000142591 563223466 /nfs/dbraw/zinc/22/34/66/563223466.db2.gz VHGHXEAJCBQQRT-UHFFFAOYSA-N 1 0 317.436 4.842 50 0 DJAARO O[C@@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000000346086 563242784 /nfs/dbraw/zinc/24/27/84/563242784.db2.gz RDSWIMJXJXLZBI-MOPGFXCFSA-N 1 0 315.844 4.601 50 0 DJAARO CC[NH+](CC)CCn1c2ccc(Cl)cc2c2nc(C)sc21 ZINC000002364365 563302690 /nfs/dbraw/zinc/30/26/90/563302690.db2.gz WCIBEZJZJGVGON-UHFFFAOYSA-N 1 0 321.877 4.555 50 0 DJAARO [NH3+]Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000002576571 563309864 /nfs/dbraw/zinc/30/98/64/563309864.db2.gz OUJMUUSLXMMEAJ-UHFFFAOYSA-N 1 0 319.248 4.850 50 0 DJAARO Clc1ccc(OCCC[NH+]2CCCCCC2)cc1Cl ZINC000002839823 563314245 /nfs/dbraw/zinc/31/42/45/563314245.db2.gz TYVXECPBTZHJCB-UHFFFAOYSA-N 1 0 302.245 4.638 50 0 DJAARO CC(C)Oc1ccccc1OCCCC[NH+]1CCCCCC1 ZINC000002838820 563314415 /nfs/dbraw/zinc/31/44/15/563314415.db2.gz KJZHNWWQXLNVGI-UHFFFAOYSA-N 1 0 305.462 4.509 50 0 DJAARO Cc1ccc(C)c(N2CC[NH+](CC[C@H](C)c3ccccc3)CC2)c1 ZINC000004980690 563328396 /nfs/dbraw/zinc/32/83/96/563328396.db2.gz YDFSQAALRMLOLL-IBGZPJMESA-N 1 0 322.496 4.619 50 0 DJAARO Cc1ccc2[nH]c(-c3ccccc3)c(C[NH+]3CCCC3)c(=O)c2c1 ZINC000008700921 563349397 /nfs/dbraw/zinc/34/93/97/563349397.db2.gz CCYTVURPPVMWHN-UHFFFAOYSA-N 1 0 318.420 4.512 50 0 DJAARO Cc1cc(C)cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000010331067 563355774 /nfs/dbraw/zinc/35/57/74/563355774.db2.gz CPDUCQLJCQPCGB-UHFFFAOYSA-N 1 0 322.452 4.542 50 0 DJAARO CCC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000013724747 563388323 /nfs/dbraw/zinc/38/83/23/563388323.db2.gz NQMFLMQTZHYDPF-UHFFFAOYSA-N 1 0 301.405 4.683 50 0 DJAARO c1ccc(C(SC2=[NH+][C@H]3CCCC[C@@H]3N2)c2ccccc2)cc1 ZINC000014196662 563397838 /nfs/dbraw/zinc/39/78/38/563397838.db2.gz DFVGCXDKIAAVDE-ROUUACIJSA-N 1 0 322.477 4.780 50 0 DJAARO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1 ZINC000032833119 563401038 /nfs/dbraw/zinc/40/10/38/563401038.db2.gz XZQRVQPWSQOQLN-UHFFFAOYSA-N 1 0 324.468 4.904 50 0 DJAARO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCC[C@@H](C)C1 ZINC000014948132 563404503 /nfs/dbraw/zinc/40/45/03/563404503.db2.gz PWDPVZYVAJIEIT-GFCCVEGCSA-N 1 0 304.821 4.535 50 0 DJAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015071622 563406832 /nfs/dbraw/zinc/40/68/32/563406832.db2.gz FOPYYUHENQDELF-OAHLLOKOSA-N 1 0 317.498 4.636 50 0 DJAARO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cccc3cccnc32)cc1 ZINC000025445935 563422562 /nfs/dbraw/zinc/42/25/62/563422562.db2.gz JEHNRMRTBJDQCK-LJQANCHMSA-N 1 0 306.384 4.711 50 0 DJAARO CC(C)c1ccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1 ZINC000055142295 563472128 /nfs/dbraw/zinc/47/21/28/563472128.db2.gz DBACTWQDWZOLJN-OAQYLSRUSA-N 1 0 302.421 4.793 50 0 DJAARO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000096477605 563484190 /nfs/dbraw/zinc/48/41/90/563484190.db2.gz XGKQASYLZGUTHH-KOLCDFICSA-N 1 0 307.463 4.592 50 0 DJAARO Cc1oc(-c2ccco2)nc1C[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000067712553 563489600 /nfs/dbraw/zinc/48/96/00/563489600.db2.gz JLNIMKNTEODDGL-AUUYWEPGSA-N 1 0 314.429 4.644 50 0 DJAARO C[N@H+](CCC1CCOCC1)CC(c1ccccc1)c1ccccc1 ZINC000097742753 563541796 /nfs/dbraw/zinc/54/17/96/563541796.db2.gz LCCDAVJVUBQTEZ-UHFFFAOYSA-N 1 0 323.480 4.567 50 0 DJAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(C)c(C)c3)c2c1 ZINC000000144064 563573293 /nfs/dbraw/zinc/57/32/93/563573293.db2.gz DZLIQKBDGBIRBX-UHFFFAOYSA-N 1 0 320.392 4.690 50 0 DJAARO Fc1ccc([C@@H](CC[NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC000001823530 563634401 /nfs/dbraw/zinc/63/44/01/563634401.db2.gz ABFRGZNCRBWADM-LJQANCHMSA-N 1 0 309.384 4.731 50 0 DJAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2oc3ccc(C)cc3c2C)on1 ZINC000216143172 563708040 /nfs/dbraw/zinc/70/80/40/563708040.db2.gz AIFIKUZSPZWRIB-INIZCTEOSA-N 1 0 310.397 4.683 50 0 DJAARO C[C@@H](c1ccco1)N(C)Cc1ccc2cc(Cl)ccc2n1 ZINC000223915247 563737918 /nfs/dbraw/zinc/73/79/18/563737918.db2.gz FYKIGFGCOQVIEW-LBPRGKRZSA-N 1 0 300.789 4.674 50 0 DJAARO COc1ccc(Nc2cc(C)[nH+]c3c(C)cc(C)cc23)c(OC)c1 ZINC000000949075 563784487 /nfs/dbraw/zinc/78/44/87/563784487.db2.gz OBEZZRVBBBJPCT-UHFFFAOYSA-N 1 0 322.408 4.921 50 0 DJAARO C[NH+](C)CCO[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000001999761 563797561 /nfs/dbraw/zinc/79/75/61/563797561.db2.gz UUANXCCUZYBHAN-NRFANRHFSA-N 1 0 305.421 4.507 50 0 DJAARO C[NH+](C)[C@H](CCOc1cccc2ccccc21)c1ccccc1 ZINC000001999422 563820608 /nfs/dbraw/zinc/82/06/08/563820608.db2.gz USRHYDPUVLEVMC-HXUWFJFHSA-N 1 0 305.421 4.912 50 0 DJAARO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc3ccccc32)cc1 ZINC000084148695 563824341 /nfs/dbraw/zinc/82/43/41/563824341.db2.gz KJWJDCRLJXHVJK-IIBYNOLFSA-N 1 0 305.421 4.532 50 0 DJAARO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccc(Cl)s1 ZINC000075093155 563859337 /nfs/dbraw/zinc/85/93/37/563859337.db2.gz RKKUPKDWKVHFGQ-LLVKDONJSA-N 1 0 317.845 4.642 50 0 DJAARO C[NH+]1CCC(=C2c3cc(Cl)ccc3SCC2(C)C)CC1 ZINC000075253988 563861884 /nfs/dbraw/zinc/86/18/84/563861884.db2.gz CFUKPDBGERJJJH-UHFFFAOYSA-N 1 0 307.890 4.951 50 0 DJAARO CCC1CCC(N2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)CC1 ZINC000239296774 563879659 /nfs/dbraw/zinc/87/96/59/563879659.db2.gz DGZHQCBZSBQFIX-NLDTVIPQSA-N 1 0 318.549 4.684 50 0 DJAARO CC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccco2)C(C)C)cc1 ZINC000001815154 563882072 /nfs/dbraw/zinc/88/20/72/563882072.db2.gz SLHXSFWUWOTWKC-FQEVSTJZSA-N 1 0 315.457 4.986 50 0 biogenic DJAARO CCc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000075568131 563884655 /nfs/dbraw/zinc/88/46/55/563884655.db2.gz QLPCTHZGQRNNKE-GOSISDBHSA-N 1 0 322.496 4.564 50 0 DJAARO Cc1ccc2c(c1)/C(=C/CC[NH+](C)C)c1ccccc1CS2 ZINC000002014973 563888471 /nfs/dbraw/zinc/88/84/71/563888471.db2.gz XWRKGMIKFODBDS-GIJQJNRQSA-N 1 0 309.478 4.984 50 0 DJAARO Cc1ncsc1[C@@H](C)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000089516923 563889340 /nfs/dbraw/zinc/88/93/40/563889340.db2.gz WWIMZWBKGWBTBC-CZUORRHYSA-N 1 0 300.471 4.915 50 0 DJAARO Cc1[nH]c2ccc(C)cc2c1CC[NH2+]Cc1ccc(Cl)cc1 ZINC000036657769 563902225 /nfs/dbraw/zinc/90/22/25/563902225.db2.gz FRWKTIHZZLDXFB-UHFFFAOYSA-N 1 0 312.844 4.770 50 0 DJAARO Cc1cc(C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)c(C)o1 ZINC000089725744 563911129 /nfs/dbraw/zinc/91/11/29/563911129.db2.gz WTFFWUXHAKMVFW-LLVKDONJSA-N 1 0 306.475 4.810 50 0 DJAARO CC(C)c1ccc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000089893403 563911926 /nfs/dbraw/zinc/91/19/26/563911926.db2.gz NKLNGKZLTXWUKK-QGZVFWFLSA-N 1 0 319.452 4.847 50 0 DJAARO CC[C@@H](c1ccccc1)[NH+]1CCC(c2ccnc(C(C)C)n2)CC1 ZINC000089947886 563912502 /nfs/dbraw/zinc/91/25/02/563912502.db2.gz UIUJUIANKTZTOE-FQEVSTJZSA-N 1 0 323.484 4.931 50 0 DJAARO Cc1cc(C)c(OCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(Cl)c1 ZINC000002823216 563913038 /nfs/dbraw/zinc/91/30/38/563913038.db2.gz XJKWPMGARWUVIU-HUUCEWRRSA-N 1 0 309.881 4.704 50 0 DJAARO c1ccc(C[NH2+]CCCCOc2cccc3ccccc32)cc1 ZINC000002823066 563913044 /nfs/dbraw/zinc/91/30/44/563913044.db2.gz RNFNVMWXYCRRTQ-UHFFFAOYSA-N 1 0 305.421 4.789 50 0 DJAARO Cc1cc(C)c(OCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000002823368 563913054 /nfs/dbraw/zinc/91/30/54/563913054.db2.gz NAQIZGMKQAIMPZ-IRXDYDNUSA-N 1 0 303.490 4.749 50 0 DJAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccccc2)(C(C)C)CCO1 ZINC000002111478 563914207 /nfs/dbraw/zinc/91/42/07/563914207.db2.gz WQVPNGWXOMBDFI-WOJBJXKFSA-N 1 0 303.490 4.788 50 0 biogenic DJAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccccc2)(C(C)C)CCO1 ZINC000002111479 563914240 /nfs/dbraw/zinc/91/42/40/563914240.db2.gz WQVPNGWXOMBDFI-PMACEKPBSA-N 1 0 303.490 4.788 50 0 biogenic DJAARO CC(C)Oc1ccccc1OCCCCCC[NH+]1CCCCC1 ZINC000002183536 563917085 /nfs/dbraw/zinc/91/70/85/563917085.db2.gz BDVJQAOWKWQTJE-UHFFFAOYSA-N 1 0 319.489 4.899 50 0 DJAARO Cc1c([C@H]2[C@H](CC[NH3+])C2(C)C)c2ccc3ccccc3c2n1C ZINC000002450746 563928929 /nfs/dbraw/zinc/92/89/29/563928929.db2.gz QURQMAIZWUYVAP-PKOBYXMFSA-N 1 0 306.453 4.728 50 0 DJAARO Cc1cnc([C@H](C)[NH+]2CCC(c3c(C)[nH]c4ccccc43)CC2)o1 ZINC000095458191 563931677 /nfs/dbraw/zinc/93/16/77/563931677.db2.gz IUHQOGVXFCDYNU-HNNXBMFYSA-N 1 0 323.440 4.713 50 0 DJAARO C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(Cl)s1 ZINC000095968364 563933218 /nfs/dbraw/zinc/93/32/18/563933218.db2.gz FVEZKNAYLZWNMC-GXTWGEPZSA-N 1 0 309.862 4.566 50 0 DJAARO CC[NH+](CC)C[C@@H](Oc1ccccc1)c1ccccc1Cl ZINC000096026729 563935186 /nfs/dbraw/zinc/93/51/86/563935186.db2.gz ODNVJNRDIYJILI-GOSISDBHSA-N 1 0 303.833 4.802 50 0 DJAARO C[C@@H]1CC[C@H](C)[N@H+]1CCCC(O)(c1ccccc1)c1ccccc1 ZINC000029555784 563941330 /nfs/dbraw/zinc/94/13/30/563941330.db2.gz VRBRWUXOCQWYLA-KDURUIRLSA-N 1 0 323.480 4.576 50 0 DJAARO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000008748455 563950414 /nfs/dbraw/zinc/95/04/14/563950414.db2.gz FKBGYSYRUFPCJH-KRWDZBQOSA-N 1 0 324.468 4.577 50 0 DJAARO CCCCn1nc(C)c(C[NH2+]C[C@H](C)c2ccccc2)c1Cl ZINC000071839157 563959336 /nfs/dbraw/zinc/95/93/36/563959336.db2.gz DOTNOCQDZXTLCN-AWEZNQCLSA-N 1 0 319.880 4.538 50 0 DJAARO CC(C)n1ccc(C[NH2+][C@H](c2ccccc2)C2CCCCC2)n1 ZINC000095462813 185371130 /nfs/dbraw/zinc/37/11/30/185371130.db2.gz NKQIYBVXWLQSJI-HXUWFJFHSA-N 1 0 311.473 4.875 50 0 DJAARO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000095468625 185372517 /nfs/dbraw/zinc/37/25/17/185372517.db2.gz NCUKLVPGSRYDFG-CQSZACIVSA-N 1 0 310.372 4.674 50 0 DJAARO C[C@@H]1c2ccsc2Sc2ccccc2N1CCC[NH+](C)C ZINC000000346667 180762982 /nfs/dbraw/zinc/76/29/82/180762982.db2.gz QHGOHBDSGZJDLR-CYBMUJFWSA-N 1 0 318.511 4.732 50 0 DJAARO CC(C)[C@@H]1C[C@@](CC[NH+]2CCCCC2)(c2ccccc2)CCO1 ZINC000001193862 180849159 /nfs/dbraw/zinc/84/91/59/180849159.db2.gz UFMQWLIDSQXQNS-SFTDATJTSA-N 1 0 315.501 4.635 50 0 DJAARO Clc1ccc(OCCCCC[NH+]2CCCC2)c(Cl)c1 ZINC000002902613 180969320 /nfs/dbraw/zinc/96/93/20/180969320.db2.gz LWYNPNRYIUSKKL-UHFFFAOYSA-N 1 0 302.245 4.638 50 0 DJAARO COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c2ccccc12 ZINC000004030738 181064650 /nfs/dbraw/zinc/06/46/50/181064650.db2.gz RJAQLJGHMBUHKY-UHFFFAOYSA-N 1 0 321.464 4.907 50 0 DJAARO CCc1ccc(N2CCc3c2c2cccc(OC)c2nc3C)cc1 ZINC000004051001 181066387 /nfs/dbraw/zinc/06/63/87/181066387.db2.gz QTCISJIWNHTTCA-UHFFFAOYSA-N 1 0 318.420 4.808 50 0 DJAARO COc1ccc(C[NH2+]CC[C@@H](CCC(C)C)c2ccco2)cc1 ZINC000004088496 181072239 /nfs/dbraw/zinc/07/22/39/181072239.db2.gz BHQUGPAQAFOGLE-GOSISDBHSA-N 1 0 315.457 4.988 50 0 biogenic DJAARO CCCCCC[C@](O)(CC[NH+]1CCCCC1)c1ccccc1 ZINC000004141798 181078710 /nfs/dbraw/zinc/07/87/10/181078710.db2.gz GNRNQSUTIFTFBA-FQEVSTJZSA-N 1 0 303.490 4.721 50 0 DJAARO Fc1ccc2c(c1)Cc1c-2[nH+]c2ccccc2c1N1CCCCC1 ZINC000004542557 181122446 /nfs/dbraw/zinc/12/24/46/181122446.db2.gz TYBDOAFPHIOJFQ-UHFFFAOYSA-N 1 0 318.395 4.935 50 0 DJAARO CC1CC[NH+](C2CCN(Cc3cccc4ccccc43)CC2)CC1 ZINC000004703486 181139893 /nfs/dbraw/zinc/13/98/93/181139893.db2.gz IGXVIYXFJCAFAK-UHFFFAOYSA-N 1 0 322.496 4.536 50 0 DJAARO CC1CC[NH+](CCOc2ccc(Cl)cc2C(C)(C)C)CC1 ZINC000004845301 181162438 /nfs/dbraw/zinc/16/24/38/181162438.db2.gz BJAVSIFLBVSAHQ-UHFFFAOYSA-N 1 0 309.881 4.748 50 0 DJAARO CSc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004990109 181186044 /nfs/dbraw/zinc/18/60/44/181186044.db2.gz WYSIMRUNQWGLOR-UHFFFAOYSA-N 1 0 311.494 4.863 50 0 DJAARO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000004989533 181186132 /nfs/dbraw/zinc/18/61/32/181186132.db2.gz GKMDSBTTYAUGLM-GFCCVEGCSA-N 1 0 324.251 4.810 50 0 DJAARO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000015836749 182020610 /nfs/dbraw/zinc/02/06/10/182020610.db2.gz IWHUTNKXMYPVPB-SFHVURJKSA-N 1 0 301.817 4.686 50 0 DJAARO CC[C@H](C[NH2+]Cc1ccccc1Cl)Oc1cccc(C)c1 ZINC000019737609 182141428 /nfs/dbraw/zinc/14/14/28/182141428.db2.gz SAUVEBVPHLEDTL-MRXNPFEDSA-N 1 0 303.833 4.596 50 0 DJAARO CC[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(Br)cc1 ZINC000020123531 182189478 /nfs/dbraw/zinc/18/94/78/182189478.db2.gz VTSQYDHJNYQZNQ-WFASDCNBSA-N 1 0 319.246 4.646 50 0 DJAARO Cc1oc(-c2ccco2)nc1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000020785731 182247331 /nfs/dbraw/zinc/24/73/31/182247331.db2.gz LCRJKRFTMQMGBS-QGZVFWFLSA-N 1 0 322.408 4.623 50 0 DJAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]CCc2c[nH]c3ccccc23)o1 ZINC000022077579 182308493 /nfs/dbraw/zinc/30/84/93/182308493.db2.gz SGUHJAXPBYMOQA-OAHLLOKOSA-N 1 0 324.468 4.958 50 0 DJAARO COc1ccccc1C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000024527411 182382581 /nfs/dbraw/zinc/38/25/81/182382581.db2.gz CCSNBFBXWPTYQY-UHFFFAOYSA-N 1 0 317.432 4.617 50 0 DJAARO C[C@H](COc1cccc2ccccc21)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000102674036 193914892 /nfs/dbraw/zinc/91/48/92/193914892.db2.gz CNIUMNFDNVKUAK-BZSNNMDCSA-N 1 0 311.469 4.833 50 0 DJAARO CCC(CC)[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccccc1 ZINC000058154676 184081660 /nfs/dbraw/zinc/08/16/60/184081660.db2.gz PAJBMYLEWUMIAC-LJQANCHMSA-N 1 0 311.425 4.682 50 0 DJAARO CC(C)c1ccc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)nn1 ZINC000426510575 257247465 /nfs/dbraw/zinc/24/74/65/257247465.db2.gz CWEAHYWUIJNKSO-MRXNPFEDSA-N 1 0 309.457 4.814 50 0 DJAARO CC(C)c1ccc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)nn1 ZINC000426510574 257248030 /nfs/dbraw/zinc/24/80/30/257248030.db2.gz CWEAHYWUIJNKSO-INIZCTEOSA-N 1 0 309.457 4.814 50 0 DJAARO [NH3+]C[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000003319631 331479546 /nfs/dbraw/zinc/47/95/46/331479546.db2.gz VWDKTWOKEKGMSJ-IBGZPJMESA-N 1 0 312.416 4.926 50 0 DJAARO CC(C)(C)c1cc(Cl)ccc1OCCC[NH+]1CCCCC1 ZINC000003001210 563320476 /nfs/dbraw/zinc/32/04/76/563320476.db2.gz ZACXZIOEYMRARW-UHFFFAOYSA-N 1 0 309.881 4.892 50 0 DJAARO Cc1cc(C)c2[nH+]c(C)cc(Nc3ccc(N(C)C)cc3)c2c1 ZINC000000071997 563213427 /nfs/dbraw/zinc/21/34/27/563213427.db2.gz WDLDGAUPVFLXFH-UHFFFAOYSA-N 1 0 305.425 4.970 50 0 DJAARO Cc1[nH+]c2cc(NCc3cccc4ccccc43)ccc2n1C ZINC000000237977 563232044 /nfs/dbraw/zinc/23/20/44/563232044.db2.gz AAFNZQHXYRGAHW-UHFFFAOYSA-N 1 0 301.393 4.647 50 0 DJAARO COc1ccccc1Nc1c2ccccc2[nH+]c2c1CCCC2 ZINC000000348187 563243205 /nfs/dbraw/zinc/24/32/05/563243205.db2.gz RYQOTAJUSJTNMJ-UHFFFAOYSA-N 1 0 304.393 4.866 50 0 DJAARO O=[N+]1C(c2ccccc2)=CC(c2ccccc2)[C@H]1c1ccccc1 ZINC000001009000 563274651 /nfs/dbraw/zinc/27/46/51/563274651.db2.gz JDDPJOFPRGUHDQ-JOCHJYFZSA-N 1 0 311.384 4.825 50 0 DJAARO CCOc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000001227434 563280019 /nfs/dbraw/zinc/28/00/19/563280019.db2.gz UKGWAZWUXJBYRL-UHFFFAOYSA-N 1 0 309.453 4.540 50 0 DJAARO O=C(CCCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000001778372 563295760 /nfs/dbraw/zinc/29/57/60/563295760.db2.gz PKNQADVTXRUPKA-FQEVSTJZSA-N 1 0 307.437 4.529 50 0 DJAARO Cc1ccc(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000002514511 563305453 /nfs/dbraw/zinc/30/54/53/563305453.db2.gz NVIGQQNUFBIALJ-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO Cc1cc(-c2csc(Nc3cc[nH+]cc3)n2)ccc1Cl ZINC000002561868 563308947 /nfs/dbraw/zinc/30/89/47/563308947.db2.gz DLRJOYRBVZJEIC-UHFFFAOYSA-N 1 0 301.802 4.911 50 0 DJAARO CC1CC[NH+](CCCCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000003001198 563320501 /nfs/dbraw/zinc/32/05/01/563320501.db2.gz HYPFPTRDELILPO-UHFFFAOYSA-N 1 0 316.272 4.884 50 0 DJAARO Clc1ccc(CSC2=[NH+]CCCN2C2CCCCC2)cc1 ZINC000003138698 563322494 /nfs/dbraw/zinc/32/24/94/563322494.db2.gz PEGZLKBCFYRAHK-UHFFFAOYSA-N 1 0 322.905 4.968 50 0 DJAARO CC(C)C[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000006883606 563334469 /nfs/dbraw/zinc/33/44/69/563334469.db2.gz CKJLBSQCPMMPDM-UHFFFAOYSA-N 1 0 303.833 4.665 50 0 DJAARO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000008326700 563345702 /nfs/dbraw/zinc/34/57/02/563345702.db2.gz CMCBSRZFNMOMNG-ZDUSSCGKSA-N 1 0 321.823 4.946 50 0 DJAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O ZINC000008714132 563349366 /nfs/dbraw/zinc/34/93/66/563349366.db2.gz PFLBNSGVSVVVBK-INIZCTEOSA-N 1 0 312.457 4.630 50 0 DJAARO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000010339048 563356086 /nfs/dbraw/zinc/35/60/86/563356086.db2.gz ZDXADSHSYXQPND-UHFFFAOYSA-N 1 0 322.452 4.542 50 0 DJAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012056144 563361061 /nfs/dbraw/zinc/36/10/61/563361061.db2.gz FIMXXZJMCVZWCC-OAHLLOKOSA-N 1 0 305.849 4.567 50 0 DJAARO CCC(C)(C)c1ccc(C[C@H](C)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000013512584 563382579 /nfs/dbraw/zinc/38/25/79/563382579.db2.gz MQHLMHIZUIDKOO-OKZBNKHCSA-N 1 0 317.517 4.662 50 0 world DJAARO CC(C)(C)C1=C[C@H](c2ccccc2)[C@H]2CCCC[C@@]23OCC[N@H+]13 ZINC000013511887 563382736 /nfs/dbraw/zinc/38/27/36/563382736.db2.gz PKMKJGOXZVPWQD-DBXWQHBBSA-N 1 0 311.469 4.933 50 0 DJAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000030640261 563437807 /nfs/dbraw/zinc/43/78/07/563437807.db2.gz IAYDPFGVZNIIID-NSHDSACASA-N 1 0 322.861 4.601 50 0 DJAARO Cc1sc2c(c1C)C[NH2+][C@H](c1ccc(C)cc1)c1cccn1-2 ZINC000032919298 563444142 /nfs/dbraw/zinc/44/41/42/563444142.db2.gz QWHSTYZJZYJOPP-GOSISDBHSA-N 1 0 308.450 4.657 50 0 DJAARO Clc1cccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1Cl ZINC000022018227 563449156 /nfs/dbraw/zinc/44/91/56/563449156.db2.gz YQGQLSMTSFGAES-MRXNPFEDSA-N 1 0 317.219 4.710 50 0 DJAARO CC1CC[NH+](CCCCOc2c(Cl)cccc2Cl)CC1 ZINC000002954439 563449657 /nfs/dbraw/zinc/44/96/57/563449657.db2.gz WOBHROVPVUAPNH-UHFFFAOYSA-N 1 0 316.272 4.884 50 0 DJAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H](C)[C@]1(C)O ZINC000252426823 563451738 /nfs/dbraw/zinc/45/17/38/563451738.db2.gz MLVGPNYZXZFREZ-PJYFRALDSA-N 1 0 323.480 4.876 50 0 DJAARO CC1CC[NH+](CCOc2ccc(Cl)c3ccccc23)CC1 ZINC000035606279 563453380 /nfs/dbraw/zinc/45/33/80/563453380.db2.gz MPOPJQACLYNIAY-UHFFFAOYSA-N 1 0 303.833 4.604 50 0 DJAARO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000096477607 563484665 /nfs/dbraw/zinc/48/46/65/563484665.db2.gz XGKQASYLZGUTHH-ONGXEEELSA-N 1 0 307.463 4.592 50 0 DJAARO CC[C@H](C)[NH2+]Cc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067821779 563491185 /nfs/dbraw/zinc/49/11/85/563491185.db2.gz JIXJFMCKAURHIU-LBPRGKRZSA-N 1 0 324.346 4.781 50 0 DJAARO CC[C@@H](C)[NH2+]Cc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067821778 563491499 /nfs/dbraw/zinc/49/14/99/563491499.db2.gz JIXJFMCKAURHIU-GFCCVEGCSA-N 1 0 324.346 4.781 50 0 DJAARO CCOC(=O)c1ccc(Nc2cc(C)[nH+]c3c(C)cccc23)cc1 ZINC000000112392 563570871 /nfs/dbraw/zinc/57/08/71/563570871.db2.gz PCCKGCCCQKCCFW-UHFFFAOYSA-N 1 0 320.392 4.772 50 0 DJAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(C)cc3C)c2c1 ZINC000000144068 563573353 /nfs/dbraw/zinc/57/33/53/563573353.db2.gz LMLXJMBOAFRJEP-UHFFFAOYSA-N 1 0 320.392 4.690 50 0 DJAARO CC(C)CC[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000037522425 563597257 /nfs/dbraw/zinc/59/72/57/563597257.db2.gz DVMHKBOPBPAKFH-IBGZPJMESA-N 1 0 316.876 4.983 50 0 DJAARO CN1CCc2c(c3cc(F)ccc3n2/C=C\c2ccc(F)cc2)C1 ZINC000045392650 563689127 /nfs/dbraw/zinc/68/91/27/563689127.db2.gz XXLOLGBZLDQPQO-FLIBITNWSA-N 1 0 324.374 4.535 50 0 DJAARO c1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000048333472 563696488 /nfs/dbraw/zinc/69/64/88/563696488.db2.gz RRUCEMRMNHUFEA-FQEVSTJZSA-N 1 0 318.420 4.549 50 0 DJAARO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)c2ncccc12 ZINC000051853009 563724120 /nfs/dbraw/zinc/72/41/20/563724120.db2.gz OHXIEEBVWSJXIF-QGZVFWFLSA-N 1 0 312.413 4.773 50 0 DJAARO C[C@H](c1ccco1)N(C)Cc1ccc2cc(Cl)ccc2n1 ZINC000223915284 563738005 /nfs/dbraw/zinc/73/80/05/563738005.db2.gz FYKIGFGCOQVIEW-GFCCVEGCSA-N 1 0 300.789 4.674 50 0 DJAARO CC(C)[NH2+]CCCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000003003418 563748926 /nfs/dbraw/zinc/74/89/26/563748926.db2.gz QWXGURVUEXVBFY-UHFFFAOYSA-N 1 0 311.469 4.779 50 0 DJAARO CSc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)s1 ZINC000225513310 563757307 /nfs/dbraw/zinc/75/73/07/563757307.db2.gz LKGOATRMOITIIG-MRXNPFEDSA-N 1 0 318.511 4.982 50 0 DJAARO CC(C)Cc1ccc([C@@H](C)C(=[NH2+])NCCc2ccccc2)cc1 ZINC000001249344 563810026 /nfs/dbraw/zinc/81/00/26/563810026.db2.gz WCVBRQCZDPBUIL-QGZVFWFLSA-N 1 0 308.469 4.798 50 0 DJAARO CCCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000001833749 563882174 /nfs/dbraw/zinc/88/21/74/563882174.db2.gz NRRHFCIUBUJLNZ-HXUWFJFHSA-N 1 0 310.441 4.598 50 0 DJAARO CC[C@H](C)[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)c1ccccc1 ZINC000169677476 563894609 /nfs/dbraw/zinc/89/46/09/563894609.db2.gz AFYIHOFGMUCEOO-GHTZIAJQSA-N 1 0 311.469 4.638 50 0 DJAARO Cc1nccn1CCC[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000089735670 563911007 /nfs/dbraw/zinc/91/10/07/563911007.db2.gz WVSKYXRVENMGQG-NRFANRHFSA-N 1 0 319.452 4.572 50 0 DJAARO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1cnoc1-c1ccco1 ZINC000089904636 563912259 /nfs/dbraw/zinc/91/22/59/563912259.db2.gz IQYQPQKARUPPNH-ZDUSSCGKSA-N 1 0 322.364 4.874 50 0 DJAARO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1c(C)cccc1C)CCC2 ZINC000170634515 563912836 /nfs/dbraw/zinc/91/28/36/563912836.db2.gz SARXTYXHKPCZJP-QGZVFWFLSA-N 1 0 300.471 4.578 50 0 DJAARO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2CCC(C)C)cc1 ZINC000037522951 563918358 /nfs/dbraw/zinc/91/83/58/563918358.db2.gz DDDWGGYUPICZFN-OAQYLSRUSA-N 1 0 310.485 4.892 50 0 DJAARO CC(C)CC[N@@H+]1CCCn2cccc2[C@H]1c1cccc(Cl)c1 ZINC000037522426 563918374 /nfs/dbraw/zinc/91/83/74/563918374.db2.gz DVMHKBOPBPAKFH-LJQANCHMSA-N 1 0 316.876 4.983 50 0 DJAARO c1c2ccccc2[nH]c1C1CC[NH+](CCc2ccccc2)CC1 ZINC000065966688 563918785 /nfs/dbraw/zinc/91/87/85/563918785.db2.gz HZGOAJPBCZRYLT-UHFFFAOYSA-N 1 0 304.437 4.590 50 0 DJAARO Cc1cnc([C@@H](C)[NH+]2CCC(c3c(C)[nH]c4ccccc43)CC2)o1 ZINC000095458190 563931582 /nfs/dbraw/zinc/93/15/82/563931582.db2.gz IUHQOGVXFCDYNU-OAHLLOKOSA-N 1 0 323.440 4.713 50 0 DJAARO Cc1cc2cc(CNc3ccc4c(c3)C[N@H+](C)C4)oc2cc1C ZINC000095971921 563933474 /nfs/dbraw/zinc/93/34/74/563933474.db2.gz ZRZJFAFCNUURTR-UHFFFAOYSA-N 1 0 306.409 4.607 50 0 DJAARO CC[C@](C)([NH2+]Cc1cnc(-c2cccnc2)s1)c1ccccc1 ZINC000096456791 563937148 /nfs/dbraw/zinc/93/71/48/563937148.db2.gz PCIKNKBKUYQLJM-IBGZPJMESA-N 1 0 323.465 4.620 50 0 DJAARO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCCCCC1 ZINC000007989382 563946087 /nfs/dbraw/zinc/94/60/87/563946087.db2.gz SCHOEVWYIKTITP-UHFFFAOYSA-N 1 0 316.489 4.748 50 0 DJAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O ZINC000008717415 563950301 /nfs/dbraw/zinc/95/03/01/563950301.db2.gz FAYVLRDNLSDICJ-INIZCTEOSA-N 1 0 312.457 4.630 50 0 DJAARO Cc1cc2c(cc1C)C(N[C@@H](C)c1ccccc1)=[NH+]C(C)(C)C2 ZINC000009341780 563955303 /nfs/dbraw/zinc/95/53/03/563955303.db2.gz UFKANZGUUNBABG-INIZCTEOSA-N 1 0 306.453 4.736 50 0 DJAARO CC(C)(C)c1cc(C[NH+]2CCCCC2)cc(C(C)(C)C)c1O ZINC000001227997 568417289 /nfs/dbraw/zinc/41/72/89/568417289.db2.gz KUUXVJOSGMQDOT-UHFFFAOYSA-N 1 0 303.490 4.973 50 0 DJAARO CC[N@@H+]1[C@@H](c2ccccc2)[C@@H](C)C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000095481284 185373832 /nfs/dbraw/zinc/37/38/32/185373832.db2.gz SFCJAXKHIYXCGG-NFQUHZNNSA-N 1 0 307.437 4.646 50 0 DJAARO Cc1cc(C[NH2+][C@@H]2CCc3ccccc32)cc(C)c1OC(F)F ZINC000096991691 185395331 /nfs/dbraw/zinc/39/53/31/185395331.db2.gz ZFELVPDDCTXTDF-QGZVFWFLSA-N 1 0 317.379 4.682 50 0 DJAARO CCSc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnc(C)nc2C)cc1 ZINC000097016776 185397443 /nfs/dbraw/zinc/39/74/43/185397443.db2.gz DMXLWUAZHUNNIX-OLZOCXBDSA-N 1 0 315.486 4.617 50 0 DJAARO c1cc2cccc(C[N@@H+]3CCCCC[C@@H]3c3ccncc3)c2[nH]1 ZINC000097032511 185399558 /nfs/dbraw/zinc/39/95/58/185399558.db2.gz KOJKNGFYCGZKFR-LJQANCHMSA-N 1 0 305.425 4.680 50 0 DJAARO C[C@H](c1ccccc1[C@@](O)(c1ccccc1)C(C)(C)C)[NH+](C)C ZINC000072437754 191165600 /nfs/dbraw/zinc/16/56/00/191165600.db2.gz JUYUTBYMCJGZKF-IERDGZPVSA-N 1 0 311.469 4.591 50 0 DJAARO Cc1cc(Cl)cc(Cl)c1OCCCC[NH+]1CCCCC1 ZINC000002932936 180970606 /nfs/dbraw/zinc/97/06/06/180970606.db2.gz HMDZFDVCYOVWHD-UHFFFAOYSA-N 1 0 316.272 4.947 50 0 DJAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3[C@@H]1CC(C)=C(C)C[C@@H]1C ZINC000004028868 181064416 /nfs/dbraw/zinc/06/44/16/181064416.db2.gz NNRHSNHZPUZQPQ-JNAXZKDPSA-N 1 0 324.468 4.746 50 0 biogenic DJAARO CCOc1ccc2c(c1)C(C)(C)C(/C=C/c1ccccc1)=[N+]2C ZINC000004200114 181084350 /nfs/dbraw/zinc/08/43/50/181084350.db2.gz WUVFPKOYTDWRFJ-SDNWHVSQSA-N 1 0 306.429 4.805 50 0 DJAARO Cc1cccc(CNc2[nH+]cc(-c3ccc(C)c(C)c3)n2C)c1 ZINC000004678779 181135900 /nfs/dbraw/zinc/13/59/00/181135900.db2.gz ASOGJYLGTXHQRD-UHFFFAOYSA-N 1 0 305.425 4.624 50 0 DJAARO COc1ccc(CC[C@@H](C)[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000004989514 181186088 /nfs/dbraw/zinc/18/60/88/181186088.db2.gz CWPWZWWSEGHANB-OAHLLOKOSA-N 1 0 317.860 4.502 50 0 DJAARO [NH2+]=C1c2ccccc2CN1c1ccc(Oc2ccccc2)cc1 ZINC000005245632 181221330 /nfs/dbraw/zinc/22/13/30/181221330.db2.gz NZDWAWYGXQCZML-UHFFFAOYSA-N 1 0 300.361 4.824 50 0 DJAARO N[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000005490557 181249290 /nfs/dbraw/zinc/24/92/90/181249290.db2.gz OPFAKQRRPMEHQX-UHFFFAOYSA-N 1 0 323.419 4.689 50 0 DJAARO Cc1cccc(NC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000006698617 181372127 /nfs/dbraw/zinc/37/21/27/181372127.db2.gz PQQUOUSFYFBCEE-UHFFFAOYSA-N 1 0 323.440 4.625 50 0 DJAARO COc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OC ZINC000006701017 181373028 /nfs/dbraw/zinc/37/30/28/181373028.db2.gz LNFXLMNTXMDCOI-UHFFFAOYSA-N 1 0 311.853 4.560 50 0 DJAARO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000222112865 201602734 /nfs/dbraw/zinc/60/27/34/201602734.db2.gz WYEPLTVFZPMYMY-CYZMBNFOSA-N 1 0 312.548 4.684 50 0 DJAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000015837071 182020295 /nfs/dbraw/zinc/02/02/95/182020295.db2.gz BQBQAVUGVOFUKW-SFHVURJKSA-N 1 0 301.817 4.686 50 0 DJAARO CC[C@@H](C)C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(C)c2)C1 ZINC000019228944 182108785 /nfs/dbraw/zinc/10/87/85/182108785.db2.gz SWUDAORZJLYOIE-CRAIPNDOSA-N 1 0 311.473 4.611 50 0 DJAARO C[C@@H]1CCCC[C@@H]1[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000019889527 182160930 /nfs/dbraw/zinc/16/09/30/182160930.db2.gz OWTCJCWCRNISDS-GCJKJVERSA-N 1 0 322.496 4.536 50 0 DJAARO Cc1ccc(C(C)C)c(OCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000020272465 182202337 /nfs/dbraw/zinc/20/23/37/182202337.db2.gz QYSUKZQLGIRKGW-UHFFFAOYSA-N 1 0 309.453 4.556 50 0 DJAARO CC[C@@](O)(c1ccccc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000020868841 182250860 /nfs/dbraw/zinc/25/08/60/182250860.db2.gz BPHKQTGRJWZBDM-FCHUYYIVSA-N 1 0 323.480 4.554 50 0 DJAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccccc1Cl ZINC000021720986 182286511 /nfs/dbraw/zinc/28/65/11/182286511.db2.gz AJPLNYVDTAHJJP-OAHLLOKOSA-N 1 0 304.821 4.536 50 0 DJAARO N[C@@H](c1cccc2ccccc21)[C@@H]([NH3+])c1cccc2ccccc21 ZINC000022028549 182305159 /nfs/dbraw/zinc/30/51/59/182305159.db2.gz VVJVMUUCGDSHBT-VXKWHMMOSA-N 1 0 312.416 4.693 50 0 DJAARO CC(C)(C)[NH2+][C@H]1C=C(C(C)(C)C)Sc2nc3ccccc3n21 ZINC000022239206 182315326 /nfs/dbraw/zinc/31/53/26/182315326.db2.gz WSMJLIISQBYSAG-OAHLLOKOSA-N 1 0 315.486 4.959 50 0 DJAARO COc1ccc(CC2CC[NH+](Cc3cc(C)cc(C)c3)CC2)cc1 ZINC000022326502 182318119 /nfs/dbraw/zinc/31/81/19/182318119.db2.gz APNOPZGVVVGJDM-UHFFFAOYSA-N 1 0 323.480 4.767 50 0 DJAARO COc1cccc(C[NH2+][C@@H](C)c2cccc3ccccc32)c1OC ZINC000022787582 182334819 /nfs/dbraw/zinc/33/48/19/182334819.db2.gz MCOGFDMCYSLUBQ-HNNXBMFYSA-N 1 0 321.420 4.708 50 0 DJAARO COc1ccc(C[NH2+][C@@H](C)c2cccc3ccccc32)cc1OC ZINC000022787593 182334859 /nfs/dbraw/zinc/33/48/59/182334859.db2.gz MMWSATIVNJFMNB-HNNXBMFYSA-N 1 0 321.420 4.708 50 0 DJAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccccc1C(F)(F)F ZINC000023280719 182355596 /nfs/dbraw/zinc/35/55/96/182355596.db2.gz HTRHWLYRWHGBTM-ZDUSSCGKSA-N 1 0 323.358 4.522 50 0 DJAARO CCc1cccc(CC)c1NC(=[NH2+])SCc1c(C)noc1C ZINC000024514548 182382346 /nfs/dbraw/zinc/38/23/46/182382346.db2.gz UDCCHBQHHUMNNY-UHFFFAOYSA-N 1 0 317.458 4.696 50 0 DJAARO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000040153675 183040771 /nfs/dbraw/zinc/04/07/71/183040771.db2.gz XADQFKRBOCONMW-LJQANCHMSA-N 1 0 318.420 4.987 50 0 DJAARO Clc1cc(-c2ccccc2)ccc1OCCC1CC[NH2+]CC1 ZINC000042770745 183306724 /nfs/dbraw/zinc/30/67/24/183306724.db2.gz BPGBVEIDEMYGLD-UHFFFAOYSA-N 1 0 315.844 4.776 50 0 DJAARO Clc1ccc(OCC[C@H]2CCC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042771169 183307212 /nfs/dbraw/zinc/30/72/12/183307212.db2.gz BKMCQYFVOJUNLT-OAHLLOKOSA-N 1 0 315.844 4.776 50 0 DJAARO CC(C)(C)CC(C)(C)c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042782868 183309454 /nfs/dbraw/zinc/30/94/54/183309454.db2.gz RSGRGUYJHWVQOK-MRXNPFEDSA-N 1 0 303.490 4.779 50 0 DJAARO c1[nH]nc([C@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)c1-c1ccccc1 ZINC000104403246 194005485 /nfs/dbraw/zinc/00/54/85/194005485.db2.gz AEDTYTAUJPFSKJ-MJGOQNOKSA-N 1 0 321.468 4.612 50 0 DJAARO c1cc([C@H]2CCC[N@H+]2CCCOCCc2ccccc2)cs1 ZINC000058356707 184108104 /nfs/dbraw/zinc/10/81/04/184108104.db2.gz GHQDUPVUXVQIIF-LJQANCHMSA-N 1 0 315.482 4.534 50 0 DJAARO c1ccc(C[NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)cc1 ZINC000060970868 184159054 /nfs/dbraw/zinc/15/90/54/184159054.db2.gz VMBUJRUYZCVIKU-UHFFFAOYSA-N 1 0 315.416 4.578 50 0 DJAARO CC1(C)N(O)C=C(c2ccc(-c3ccccc3)cc2)[N+](=O)C1(C)C ZINC000334157316 257261759 /nfs/dbraw/zinc/26/17/59/257261759.db2.gz NBSSKLKHLVLRPZ-UHFFFAOYSA-N 1 0 323.416 4.693 50 0 DJAARO COc1ccc(OC)c(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)c1 ZINC000534644199 334306529 /nfs/dbraw/zinc/30/65/29/334306529.db2.gz LQUJQEZLFBPNKO-OAHLLOKOSA-N 1 0 311.425 4.528 50 0 DJAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000023280295 336387290 /nfs/dbraw/zinc/38/72/90/336387290.db2.gz WQIGZIYQAJTVMS-ZDUSSCGKSA-N 1 0 323.358 4.522 50 0 DJAARO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1oc(C(C)C)nc1C ZINC000428950592 338066321 /nfs/dbraw/zinc/06/63/21/338066321.db2.gz FSHXEKKLJUUORW-QGZVFWFLSA-N 1 0 316.445 4.698 50 0 DJAARO CC(C)[C@@H]([NH2+]Cc1cccc2[nH]ccc21)c1nc2ccccc2[nH]1 ZINC000236740967 519799231 /nfs/dbraw/zinc/79/92/31/519799231.db2.gz NIOIQORMDKSZEG-LJQANCHMSA-N 1 0 318.424 4.531 50 0 DJAARO Cc1ccc(CSC2=[NH+]CCCN2C2CCCCC2)cc1 ZINC000000144911 563224005 /nfs/dbraw/zinc/22/40/05/563224005.db2.gz FEKKHBNEKQVNMN-UHFFFAOYSA-N 1 0 302.487 4.623 50 0 DJAARO Clc1ccc(Oc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000000292340 563236508 /nfs/dbraw/zinc/23/65/08/563236508.db2.gz CTZIJBZCZRYEGE-UHFFFAOYSA-N 1 0 319.857 4.681 50 0 DJAARO O[C@@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000000346085 563242797 /nfs/dbraw/zinc/24/27/97/563242797.db2.gz RDSWIMJXJXLZBI-OALUTQOASA-N 1 0 315.844 4.601 50 0 DJAARO Clc1ccc(-c2cn3c([n+]2-c2ccccc2)CCCCC3)cc1 ZINC000000392243 563249917 /nfs/dbraw/zinc/24/99/17/563249917.db2.gz WVIVFLYZOGTRHM-UHFFFAOYSA-N 1 0 323.847 4.812 50 0 DJAARO C[NH+](C)CCCN1c2ccccc2Sc2cc(Cl)ccc21 ZINC000000406217 563251409 /nfs/dbraw/zinc/25/14/09/563251409.db2.gz JYNZCQHQWDOOKH-UHFFFAOYSA-N 1 0 318.873 4.894 50 0 DJAARO CCC[NH+]1CCC(Nc2ccc3[nH]c(C(C)(C)C)cc3c2)CC1 ZINC000001501473 563284581 /nfs/dbraw/zinc/28/45/81/563284581.db2.gz LBUSSWPSBGARDV-UHFFFAOYSA-N 1 0 313.489 4.752 50 0 DJAARO Cc1ccc(C)c(C(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000002515013 563305005 /nfs/dbraw/zinc/30/50/05/563305005.db2.gz SNTYPZYFLZVZPH-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO Cc1cccc(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000002514510 563305255 /nfs/dbraw/zinc/30/52/55/563305255.db2.gz UNWXHRFUFVLJRH-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO Cc1cc(C)c(-n2cc[n+](-c3c(C)cc(C)cc3C)c2)c(C)c1 ZINC000002584038 563310159 /nfs/dbraw/zinc/31/01/59/563310159.db2.gz CSRGPERAJKNQMM-UHFFFAOYSA-N 1 0 305.445 4.605 50 0 DJAARO CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2ccccc2)cc1OC ZINC000002886270 563316712 /nfs/dbraw/zinc/31/67/12/563316712.db2.gz AMLYGHXFUWIYIV-ZDUSSCGKSA-N 1 0 319.832 4.598 50 0 DJAARO CCCC[NH2+]CCCOc1c(Cl)cc(Cl)cc1Cl ZINC000002930956 563318191 /nfs/dbraw/zinc/31/81/91/563318191.db2.gz MPGZFHMVCZABSK-UHFFFAOYSA-N 1 0 310.652 4.805 50 0 DJAARO c1ccc2c(c1)CCc1c-2[nH+]c2ccccc2c1N1CCCCC1 ZINC000005738797 563330150 /nfs/dbraw/zinc/33/01/50/563330150.db2.gz JTXAJDXUSOZWDL-UHFFFAOYSA-N 1 0 314.432 4.991 50 0 DJAARO Cc1cc(C)c2[nH]c(C)c(C[N@@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000008714104 563349385 /nfs/dbraw/zinc/34/93/85/563349385.db2.gz LNEHVIWLWDCKBW-UHFFFAOYSA-N 1 0 312.457 4.630 50 0 DJAARO CCCCc1ccc2[nH]c(C)c(C[NH+]3CCCCC3)c(=O)c2c1 ZINC000008717945 563349942 /nfs/dbraw/zinc/34/99/42/563349942.db2.gz ASUSWFQLUXRXMQ-UHFFFAOYSA-N 1 0 312.457 4.577 50 0 DJAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012056147 563360946 /nfs/dbraw/zinc/36/09/46/563360946.db2.gz FIMXXZJMCVZWCC-HNNXBMFYSA-N 1 0 305.849 4.567 50 0 DJAARO c1[nH]nc(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1-c1ccccc1 ZINC000012246272 563365706 /nfs/dbraw/zinc/36/57/06/563365706.db2.gz DMFLQRINMQWPQB-QGZVFWFLSA-N 1 0 321.468 4.612 50 0 DJAARO Cc1oc(-c2ccoc2)nc1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000012386290 563368195 /nfs/dbraw/zinc/36/81/95/563368195.db2.gz PNGNJLSQFLUYTC-QGZVFWFLSA-N 1 0 322.408 4.623 50 0 DJAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCCC[C@@H]1C ZINC000012710831 563373254 /nfs/dbraw/zinc/37/32/54/563373254.db2.gz QKIMNFRQKCNNCJ-LBPRGKRZSA-N 1 0 304.821 4.678 50 0 DJAARO C[C@H](COc1cccc2ccccc21)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013764305 563388518 /nfs/dbraw/zinc/38/85/18/563388518.db2.gz CNIUMNFDNVKUAK-KSZLIROESA-N 1 0 311.469 4.833 50 0 DJAARO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)cc3cccnc32)cc1 ZINC000025938106 563424306 /nfs/dbraw/zinc/42/43/06/563424306.db2.gz ARSJFZADYFPQAQ-LJQANCHMSA-N 1 0 324.374 4.850 50 0 DJAARO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000026480339 563425905 /nfs/dbraw/zinc/42/59/05/563425905.db2.gz MFVQUZVRKSAENE-KRWDZBQOSA-N 1 0 324.468 4.577 50 0 DJAARO C[N@H+](Cc1coc(-c2cccs2)n1)[C@H]1CCCc2ccccc21 ZINC000027906157 563430259 /nfs/dbraw/zinc/43/02/59/563430259.db2.gz TWPAWADMIKFICK-KRWDZBQOSA-N 1 0 324.449 4.913 50 0 DJAARO Fc1ccc([C@H]2C[N@H+](Cc3cccc4ccccc43)CCO2)cc1 ZINC000029538074 563435317 /nfs/dbraw/zinc/43/53/17/563435317.db2.gz QEWZACBKTFJVIR-OAQYLSRUSA-N 1 0 321.395 4.552 50 0 DJAARO COc1cc(C[N@@H+]2CCCCC[C@H]2c2cccs2)ccc1O ZINC000033087323 563443999 /nfs/dbraw/zinc/44/39/99/563443999.db2.gz DPBWVAUYVIKIDR-HNNXBMFYSA-N 1 0 317.454 4.580 50 0 DJAARO COc1ccccc1C[N@@H+]1CCCCC[C@H]1c1cccs1 ZINC000033087309 563444072 /nfs/dbraw/zinc/44/40/72/563444072.db2.gz NTBJTMCAIJOTQL-INIZCTEOSA-N 1 0 301.455 4.874 50 0 DJAARO CC(C)=CCC[C@H](C)CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000002479766 563448822 /nfs/dbraw/zinc/44/88/22/563448822.db2.gz BKEKIKXOSGPRMA-SFHVURJKSA-N 1 0 318.480 4.720 50 0 DJAARO Cc1cc(C[NH+]2CCCC2)cc(Oc2nccc3occc32)c1 ZINC000067872049 563492075 /nfs/dbraw/zinc/49/20/75/563492075.db2.gz HIOYQQUIPKKQLY-UHFFFAOYSA-N 1 0 308.381 4.524 50 0 DJAARO CCOc1ccccc1Nc1cc(C)[nH+]c2ccc(OC)cc12 ZINC000000071671 563522837 /nfs/dbraw/zinc/52/28/37/563522837.db2.gz PSTWGHOBDWQZEI-UHFFFAOYSA-N 1 0 308.381 4.694 50 0 DJAARO C[C@@H]([NH2+][C@H](C)c1ccccc1Br)c1ccsc1 ZINC000050340939 563584706 /nfs/dbraw/zinc/58/47/06/563584706.db2.gz CDEUGZHQUFQCFZ-GHMZBOCLSA-N 1 0 310.260 4.922 50 0 DJAARO C[NH+](C)CC/C=C1\c2ccccc2SCc2ccc(F)cc21 ZINC000000347695 563589467 /nfs/dbraw/zinc/58/94/67/563589467.db2.gz BJWIODCFNLUSQT-FRKPEAEDSA-N 1 0 313.441 4.815 50 0 DJAARO CC[NH+](CC)CCOC(c1ccccc1C)c1ccccc1C ZINC000005509457 563624280 /nfs/dbraw/zinc/62/42/80/563624280.db2.gz WUJVRGMDXDDXDG-UHFFFAOYSA-N 1 0 311.469 4.751 50 0 DJAARO CC[C@H]([NH2+]CCC1=CCCCC1)c1ccc(OC)c(OC)c1 ZINC000000312417 563629195 /nfs/dbraw/zinc/62/91/95/563629195.db2.gz BQAMJZYHAOMYLQ-KRWDZBQOSA-N 1 0 303.446 4.635 50 0 DJAARO CCOc1cc2c[nH+]c(NCc3ccccc3)cc2cc1OCC ZINC000000541683 563668234 /nfs/dbraw/zinc/66/82/34/563668234.db2.gz YKMTYZRCRURXDC-UHFFFAOYSA-N 1 0 322.408 4.644 50 0 DJAARO CCOc1ccc2[nH+]c(C)cc(Nc3cccc(C(C)=O)c3)c2c1 ZINC000000949044 563784233 /nfs/dbraw/zinc/78/42/33/563784233.db2.gz DLEQIWNNJCWESH-UHFFFAOYSA-N 1 0 320.392 4.888 50 0 DJAARO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000084148685 563823907 /nfs/dbraw/zinc/82/39/07/563823907.db2.gz VYJDAVKCTLUHBW-HRAATJIYSA-N 1 0 305.421 4.532 50 0 DJAARO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc3ccccc32)cc1 ZINC000084148693 563824224 /nfs/dbraw/zinc/82/42/24/563824224.db2.gz KJWJDCRLJXHVJK-HRAATJIYSA-N 1 0 305.421 4.532 50 0 DJAARO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc3ccccc3c2)cc1 ZINC000084148687 563824309 /nfs/dbraw/zinc/82/43/09/563824309.db2.gz VYJDAVKCTLUHBW-IIBYNOLFSA-N 1 0 305.421 4.532 50 0 DJAARO Cc1ncsc1[C@@H](C)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000089516925 563889398 /nfs/dbraw/zinc/88/93/98/563889398.db2.gz WWIMZWBKGWBTBC-CJNGLKHVSA-N 1 0 300.471 4.915 50 0 DJAARO COc1ccc([C@@H](C)[NH2+][C@@H]2COc3ccccc32)c2ccccc12 ZINC000089517230 563889578 /nfs/dbraw/zinc/88/95/78/563889578.db2.gz IZWASBMZWDKRCL-AUUYWEPGSA-N 1 0 319.404 4.633 50 0 DJAARO Cc1[nH]c2ccc(Cl)cc2c1CC[NH2+]Cc1cccs1 ZINC000036657742 563902425 /nfs/dbraw/zinc/90/24/25/563902425.db2.gz FJNDPHKFIWOHAL-UHFFFAOYSA-N 1 0 304.846 4.524 50 0 DJAARO C[C@@H]([NH2+][C@@H](C)c1cnccn1)c1ccc(-c2ccccc2)cc1 ZINC000089904927 563912071 /nfs/dbraw/zinc/91/20/71/563912071.db2.gz CNEMOUHWCUKMJL-CVEARBPZSA-N 1 0 303.409 4.555 50 0 DJAARO CC(C)(C)c1cc(Cl)ccc1OCC[NH2+]Cc1ccccc1 ZINC000002825356 563913076 /nfs/dbraw/zinc/91/30/76/563913076.db2.gz KIUDOYAROXGOJV-UHFFFAOYSA-N 1 0 317.860 4.806 50 0 DJAARO c1ccc([C@H]2C3=C(CCCC3)[N@H+]3CCO[C@@]34CCCC[C@H]24)cc1 ZINC000002095014 563913848 /nfs/dbraw/zinc/91/38/48/563913848.db2.gz BERGZMFIKZYZDE-HLAWJBBLSA-N 1 0 309.453 4.831 50 0 biogenic DJAARO C[NH2+]Cc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC000033995966 563915775 /nfs/dbraw/zinc/91/57/75/563915775.db2.gz FQEBOQLYHASAOY-UHFFFAOYSA-N 1 0 300.160 4.644 50 0 DJAARO CC1CC[NH+](CCCOc2ccc(Cl)c3ccccc23)CC1 ZINC000002183523 563917057 /nfs/dbraw/zinc/91/70/57/563917057.db2.gz VBELGIDRVVEAOY-UHFFFAOYSA-N 1 0 317.860 4.994 50 0 DJAARO CCCC[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000037522429 563918300 /nfs/dbraw/zinc/91/83/00/563918300.db2.gz GAZIFEWQSPHNHA-SFHVURJKSA-N 1 0 302.849 4.737 50 0 DJAARO Cc1cc2oc(=O)cc(C[N@@H+](C)C3CCCCC3)c2cc1Cl ZINC000007786408 563919328 /nfs/dbraw/zinc/91/93/28/563919328.db2.gz PWJSIVNMWABHBO-UHFFFAOYSA-N 1 0 319.832 4.519 50 0 DJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCOc2cccc3ccccc32)C1 ZINC000002295456 563925451 /nfs/dbraw/zinc/92/54/51/563925451.db2.gz JOERLAXSSSJOHH-QZTJIDSGSA-N 1 0 311.469 4.977 50 0 DJAARO Fc1ccc(C[NH2+]CC[C@@H](Cc2ccccc2)c2ccco2)cc1 ZINC000002374616 563927400 /nfs/dbraw/zinc/92/74/00/563927400.db2.gz UHMGEDKDEHYYEM-IBGZPJMESA-N 1 0 323.411 4.925 50 0 DJAARO Fc1ccc([C@H](CC[NH2+]Cc2cccs2)c2ccco2)cc1 ZINC000002436487 563928577 /nfs/dbraw/zinc/92/85/77/563928577.db2.gz OTEYWWXSVWLODG-KRWDZBQOSA-N 1 0 315.413 4.792 50 0 DJAARO Cc1cc([C@@H](C)[NH2+][C@H](CCCO)c2ccccc2)c(C)s1 ZINC000095423050 563931451 /nfs/dbraw/zinc/93/14/51/563931451.db2.gz YECHCDNQWMDJJP-RDTXWAMCSA-N 1 0 303.471 4.529 50 0 DJAARO C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc2ccccc2o1 ZINC000095968369 563933125 /nfs/dbraw/zinc/93/31/25/563933125.db2.gz KZJVIKMLZDLTAL-CRAIPNDOSA-N 1 0 309.409 4.597 50 0 DJAARO C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc2ccccc2o1 ZINC000095968368 563933289 /nfs/dbraw/zinc/93/32/89/563933289.db2.gz KZJVIKMLZDLTAL-MAUKXSAKSA-N 1 0 309.409 4.597 50 0 DJAARO c1ccc(OCCC[NH2+]C2(c3ccccc3)CCCCC2)cc1 ZINC000096026938 563935016 /nfs/dbraw/zinc/93/50/16/563935016.db2.gz SKXLJPKLWFINKK-UHFFFAOYSA-N 1 0 309.453 4.905 50 0 DJAARO C[NH+](C)CCS[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000096026380 563935057 /nfs/dbraw/zinc/93/50/57/563935057.db2.gz BLZIUBBMTFKITD-QGZVFWFLSA-N 1 0 305.874 4.724 50 0 DJAARO C[C@@H]([NH2+]Cc1ccccc1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000096027544 563935072 /nfs/dbraw/zinc/93/50/72/563935072.db2.gz RMMPPIGYVZPWST-XMSQKQJNSA-N 1 0 317.432 4.985 50 0 DJAARO C[C@H]1CC[C@H](C)[NH+]1CCCC(O)(c1ccccc1)c1ccccc1 ZINC000029555789 563941312 /nfs/dbraw/zinc/94/13/12/563941312.db2.gz VRBRWUXOCQWYLA-OALUTQOASA-N 1 0 323.480 4.576 50 0 DJAARO C[C@@H](OCCC[NH2+][C@@H](C)c1ccnc(Cl)c1)c1ccccc1 ZINC000163382191 563943952 /nfs/dbraw/zinc/94/39/52/563943952.db2.gz OPXQPEKJCVWJNK-LSDHHAIUSA-N 1 0 318.848 4.554 50 0 DJAARO Cc1cccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1C ZINC000031621064 563944628 /nfs/dbraw/zinc/94/46/28/563944628.db2.gz BXIJZBKSNNLMLY-UHFFFAOYSA-N 1 0 322.452 4.542 50 0 DJAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2c(C)ccc(C)c2c1=O ZINC000008717982 563950196 /nfs/dbraw/zinc/95/01/96/563950196.db2.gz LJRLMQBCPRUXGI-INIZCTEOSA-N 1 0 312.457 4.630 50 0 DJAARO FC(F)(F)c1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)nc1 ZINC000263640130 568417179 /nfs/dbraw/zinc/41/71/79/568417179.db2.gz YREIFNLMMTWCAG-UHFFFAOYSA-N 1 0 320.358 4.753 50 0 DJAARO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C)c1ccc(F)cn1 ZINC000090114981 185282779 /nfs/dbraw/zinc/28/27/79/185282779.db2.gz SXMUGGNSXGORAM-GRCBOLBRSA-N 1 0 318.823 4.922 50 0 DJAARO FC(F)(F)c1cccc([C@H]([NH2+]Cc2ccccc2)C2CC2)c1 ZINC000095455546 185370192 /nfs/dbraw/zinc/37/01/92/185370192.db2.gz ZETCAZPARRWQFE-QGZVFWFLSA-N 1 0 305.343 4.946 50 0 DJAARO c1cc2cccc(C[N@@H+]3CCCCC[C@H]3c3ccncc3)c2[nH]1 ZINC000097032512 185399252 /nfs/dbraw/zinc/39/92/52/185399252.db2.gz KOJKNGFYCGZKFR-IBGZPJMESA-N 1 0 305.425 4.680 50 0 DJAARO Cc1ccc([C@@H]([NH2+][C@H](C)Cc2ccncc2)c2ccccc2)cc1 ZINC000097032860 185399701 /nfs/dbraw/zinc/39/97/01/185399701.db2.gz MWNSIEGCNOEALZ-GCJKJVERSA-N 1 0 316.448 4.700 50 0 DJAARO c1csc(-c2cnc(C[N@@H+]3CCC[C@@]4(CC=CCC4)C3)o2)c1 ZINC000170626889 197794906 /nfs/dbraw/zinc/79/49/06/197794906.db2.gz YQFGMFQKFWQJNW-SFHVURJKSA-N 1 0 314.454 4.725 50 0 DJAARO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000071769682 191029796 /nfs/dbraw/zinc/02/97/96/191029796.db2.gz POWBIOMTXFDIOP-FZCSVUEKSA-N 1 0 317.517 4.562 50 0 DJAARO Fc1ccc(-c2ccc(C[NH2+][C@H]3CCc4ccccc43)o2)cc1 ZINC000072288042 191107153 /nfs/dbraw/zinc/10/71/53/191107153.db2.gz ANTLLUMOUAXQHR-IBGZPJMESA-N 1 0 307.368 4.863 50 0 DJAARO C[C@@H](c1ccccc1[C@@](O)(c1ccccc1)C(C)(C)C)[NH+](C)C ZINC000072437753 191165565 /nfs/dbraw/zinc/16/55/65/191165565.db2.gz JUYUTBYMCJGZKF-KKSFZXQISA-N 1 0 311.469 4.591 50 0 DJAARO CCC(=O)C(CC[NH+](CC)CC)(c1ccccc1)c1ccccc1 ZINC000001675362 180887317 /nfs/dbraw/zinc/88/73/17/180887317.db2.gz GEVMXAPOBQQMDJ-UHFFFAOYSA-N 1 0 323.480 4.684 50 0 DJAARO CC1(C)C[C@@](CC[NH2+]Cc2ccccc2)(c2ccccc2)CCO1 ZINC000001790135 180896288 /nfs/dbraw/zinc/89/62/88/180896288.db2.gz ARZGTTMMEJDPHG-QFIPXVFZSA-N 1 0 323.480 4.693 50 0 biogenic DJAARO C[N@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CCCCC1 ZINC000003417748 181016925 /nfs/dbraw/zinc/01/69/25/181016925.db2.gz XGMXBPVTZFGGRJ-UHFFFAOYSA-N 1 0 322.452 4.557 50 0 DJAARO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000003564800 181035407 /nfs/dbraw/zinc/03/54/07/181035407.db2.gz FGTSFLFLSXRGNF-INIZCTEOSA-N 1 0 316.489 4.604 50 0 DJAARO C[C@H](COc1ccccc1Cc1ccccc1)[NH+]1CCCCC1 ZINC000003635554 181042861 /nfs/dbraw/zinc/04/28/61/181042861.db2.gz JTUQXGZRVLWBCR-GOSISDBHSA-N 1 0 309.453 4.531 50 0 investigational DJAARO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004098874 181072976 /nfs/dbraw/zinc/07/29/76/181072976.db2.gz POWBIOMTXFDIOP-SYBPFIFISA-N 1 0 317.517 4.562 50 0 biogenic,in-vitro DJAARO C[C@H](C[C@H]1[NH2+]Cc2ccccc2-n2cccc21)c1ccccc1 ZINC000004188339 181083372 /nfs/dbraw/zinc/08/33/72/181083372.db2.gz VKQLZBAUQXLBJJ-VQIMIIECSA-N 1 0 302.421 4.815 50 0 DJAARO c1ccc(C(c2ccccc2)(c2ccccc2)[n+]2ccccc2)cc1 ZINC000004521908 181119814 /nfs/dbraw/zinc/11/98/14/181119814.db2.gz YOEZRKYFQXCVDO-UHFFFAOYSA-N 1 0 322.431 4.814 50 0 DJAARO COc1ccccc1C[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000004700555 181138848 /nfs/dbraw/zinc/13/88/48/181138848.db2.gz FEESTXNBKXTNFS-UHFFFAOYSA-N 1 0 319.404 4.777 50 0 DJAARO CCc1ccc(CNc2[nH+]cc(-c3ccc(C)cc3)n2C)cc1 ZINC000004678381 181135497 /nfs/dbraw/zinc/13/54/97/181135497.db2.gz JOHSZRMVCZXJMV-UHFFFAOYSA-N 1 0 305.425 4.570 50 0 DJAARO Cc1ccc(-c2c[nH+]c(NCc3ccccc3Cl)n2C)cc1 ZINC000004678671 181135999 /nfs/dbraw/zinc/13/59/99/181135999.db2.gz CSJHQJRWYAVNKQ-UHFFFAOYSA-N 1 0 311.816 4.661 50 0 DJAARO CC(C)(C)C1=C[C@H](c2ccccc2)[C@H]2CCCC[C@]23OCC[N@H+]13 ZINC000004769677 181149955 /nfs/dbraw/zinc/14/99/55/181149955.db2.gz PKMKJGOXZVPWQD-OPYAIIAOSA-N 1 0 311.469 4.933 50 0 DJAARO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccccc2-c2ccccc2)C1 ZINC000004906408 181171366 /nfs/dbraw/zinc/17/13/66/181171366.db2.gz PIIJMQPDMDUIKD-QZTJIDSGSA-N 1 0 309.453 4.710 50 0 DJAARO CCC[C@@H]1[C@H](O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000006311355 181328590 /nfs/dbraw/zinc/32/85/90/181328590.db2.gz WYTPYNYFQAORGV-XRXFAXGQSA-N 1 0 309.453 4.582 50 0 DJAARO CC(C)C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000006883601 181401146 /nfs/dbraw/zinc/40/11/46/181401146.db2.gz MUWJCXAKMVDBHP-UHFFFAOYSA-N 1 0 303.833 4.665 50 0 DJAARO FC(F)(F)c1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000019721117 182138775 /nfs/dbraw/zinc/13/87/75/182138775.db2.gz GEFROZGICRQKIQ-UHFFFAOYSA-N 1 0 318.342 4.519 50 0 DJAARO Cc1ccc(C[NH2+]Cc2cccnc2Oc2ccccc2C)s1 ZINC000019773135 182145012 /nfs/dbraw/zinc/14/50/12/182145012.db2.gz YYQHRRSDAHXKKF-UHFFFAOYSA-N 1 0 324.449 4.842 50 0 DJAARO CC1CCC([NH+]2CCN(Cc3cccc4ccccc43)CC2)CC1 ZINC000019851976 182156988 /nfs/dbraw/zinc/15/69/88/182156988.db2.gz CEZQGAFSYROOLS-UHFFFAOYSA-N 1 0 322.496 4.536 50 0 DJAARO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)[C@@H](O)c1ccccc1 ZINC000019872172 182159367 /nfs/dbraw/zinc/15/93/67/182159367.db2.gz NATUZEAPAOKDTI-HTAPYJJXSA-N 1 0 317.432 4.565 50 0 DJAARO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)c1cccs1 ZINC000020148242 182192687 /nfs/dbraw/zinc/19/26/87/182192687.db2.gz JCBUUUZWBBBREJ-WDEREUQCSA-N 1 0 310.260 4.922 50 0 DJAARO CC(C)(C)c1ccc(OC[C@@H]2CCC[NH2+]C2)c(C(C)(C)C)c1 ZINC000020221675 182198803 /nfs/dbraw/zinc/19/88/03/182198803.db2.gz IJWPGBOKUJLOAP-OAHLLOKOSA-N 1 0 303.490 4.660 50 0 DJAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1cc(Br)cs1 ZINC000020306041 182205286 /nfs/dbraw/zinc/20/52/86/182205286.db2.gz ZIXLSTFXBPTHIQ-LBPRGKRZSA-N 1 0 324.287 4.622 50 0 DJAARO CC(C)c1c[nH]nc1[C@@H]1CCC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000020598489 182236557 /nfs/dbraw/zinc/23/65/57/182236557.db2.gz VVOZPRDRWVBYSI-SJLPKXTDSA-N 1 0 311.473 4.516 50 0 DJAARO CCc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C(C)C)cc2)cc1 ZINC000040161548 183041847 /nfs/dbraw/zinc/04/18/47/183041847.db2.gz YPNPEHZHKIUNDY-MRXNPFEDSA-N 1 0 324.468 4.662 50 0 DJAARO C[NH2+]Cc1ccc(Cl)cc1Oc1ccc(Cl)c(F)c1 ZINC000040833600 183140035 /nfs/dbraw/zinc/14/00/35/183140035.db2.gz VHFYWGRJQKGNOJ-UHFFFAOYSA-N 1 0 300.160 4.644 50 0 DJAARO Cc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2)s1 ZINC000042210086 183242876 /nfs/dbraw/zinc/24/28/76/183242876.db2.gz QTYPLYWUFDHEIU-NSHDSACASA-N 1 0 310.260 4.670 50 0 DJAARO CC[C@H](C)C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(C)c2)C1 ZINC000042995785 183326321 /nfs/dbraw/zinc/32/63/21/183326321.db2.gz SWUDAORZJLYOIE-YJBOKZPZSA-N 1 0 311.473 4.611 50 0 DJAARO Cc1cc(OCC[C@@H]2CCCC[NH2+]2)c(Cl)c(C)c1Cl ZINC000042773710 183306918 /nfs/dbraw/zinc/30/69/18/183306918.db2.gz TVVYRRSMFJGQSA-LBPRGKRZSA-N 1 0 302.245 4.521 50 0 DJAARO Clc1cc(-c2ccccc2)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042770752 183306989 /nfs/dbraw/zinc/30/69/89/183306989.db2.gz YGKGOISTVBFIEP-OAHLLOKOSA-N 1 0 315.844 4.776 50 0 DJAARO Clc1ccc(OCC[C@H]2CCCC[NH2+]2)c(-c2ccccc2)c1 ZINC000042771177 183307225 /nfs/dbraw/zinc/30/72/25/183307225.db2.gz IUGYXXHIVISMFO-QGZVFWFLSA-N 1 0 315.844 4.918 50 0 DJAARO CCC(C)(C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042771007 183307333 /nfs/dbraw/zinc/30/73/33/183307333.db2.gz ZYUMTHHTYLZEHS-AWEZNQCLSA-N 1 0 309.881 4.796 50 0 DJAARO CC(C)(C)CC(C)(C)c1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000042782869 183309096 /nfs/dbraw/zinc/30/90/96/183309096.db2.gz RSGRGUYJHWVQOK-INIZCTEOSA-N 1 0 303.490 4.779 50 0 DJAARO CCC(CC)[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccccc1 ZINC000058154674 184081478 /nfs/dbraw/zinc/08/14/78/184081478.db2.gz PAJBMYLEWUMIAC-IBGZPJMESA-N 1 0 311.425 4.682 50 0 DJAARO C[C@H](C(=O)c1c[nH]c2ccccc21)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000058160440 184081976 /nfs/dbraw/zinc/08/19/76/184081976.db2.gz JEFSJEFTKOZECG-CXAGYDPISA-N 1 0 324.449 4.638 50 0 DJAARO C[C@@H](c1cccc(-c2coc3ccccc3c2=O)c1)[NH+]1CCCC1 ZINC000065385063 184333287 /nfs/dbraw/zinc/33/32/87/184333287.db2.gz VPTJEVZZIWNQCR-HNNXBMFYSA-N 1 0 319.404 4.617 50 0 DJAARO CC(=O)c1ccc(F)cc1-c1cccc([C@H](C)[NH+]2CCCC2)c1 ZINC000534577272 334288148 /nfs/dbraw/zinc/28/81/48/334288148.db2.gz VWYWXJDMWLHWGI-AWEZNQCLSA-N 1 0 311.400 4.852 50 0 DJAARO COc1ccccc1-c1ccc([C@@H](C)[NH2+]Cc2ccccn2)cc1 ZINC000390833465 336947170 /nfs/dbraw/zinc/94/71/70/336947170.db2.gz HZSLTQQOYXVLCJ-MRXNPFEDSA-N 1 0 318.420 4.608 50 0 DJAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+](C)C(C)C ZINC000014968937 563404833 /nfs/dbraw/zinc/40/48/33/563404833.db2.gz CPDIAHNFWUUYDI-UHFFFAOYSA-N 1 0 312.335 4.509 50 0 DJAARO O=[N+]1C(c2ccccc2)=CC(c2ccccc2)[C@@H]1c1ccccc1 ZINC000001008999 563274405 /nfs/dbraw/zinc/27/44/05/563274405.db2.gz JDDPJOFPRGUHDQ-QFIPXVFZSA-N 1 0 311.384 4.825 50 0 DJAARO COc1cc(C)c(C[NH+]2CCC(Cc3ccccc3)CC2)cc1C ZINC000001227693 563279910 /nfs/dbraw/zinc/27/99/10/563279910.db2.gz KLDJVUCROBXZPY-UHFFFAOYSA-N 1 0 323.480 4.767 50 0 DJAARO Clc1ccc(Cl)c(OCCCC[NH+]2CCCCC2)c1 ZINC000002495242 563304410 /nfs/dbraw/zinc/30/44/10/563304410.db2.gz GUYIQVFKWDCCGO-UHFFFAOYSA-N 1 0 302.245 4.638 50 0 DJAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1ccccc1Cl ZINC000002515020 563305843 /nfs/dbraw/zinc/30/58/43/563305843.db2.gz GYNNQAIXNPTNME-UHFFFAOYSA-N 1 0 313.828 4.557 50 0 DJAARO Cc1cccc(C(=O)c2ccccc2C[NH+]2CCCCC2)c1C ZINC000002515508 563306183 /nfs/dbraw/zinc/30/61/83/563306183.db2.gz APIQFZOYPAYLNR-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO CCCC[NH2+]CCCCCOc1c(Cl)cccc1Cl ZINC000002901903 563317612 /nfs/dbraw/zinc/31/76/12/563317612.db2.gz USVGUJUZNZAWSS-UHFFFAOYSA-N 1 0 304.261 4.932 50 0 DJAARO CC(C)(C)[NH2+]CCCOc1c(Cl)cc(Cl)cc1Cl ZINC000002931639 563318064 /nfs/dbraw/zinc/31/80/64/563318064.db2.gz CPSZNDWKRHQLHT-UHFFFAOYSA-N 1 0 310.652 4.804 50 0 DJAARO Cc1ccc(C[NH2+]Cc2ccc(-c3ccc([C@H](C)O)cc3)o2)cc1 ZINC000007541252 563339406 /nfs/dbraw/zinc/33/94/06/563339406.db2.gz QOTGRNZPXQGVDS-INIZCTEOSA-N 1 0 321.420 4.598 50 0 DJAARO CCc1ccc2[nH]c(C)c(C[N@H+]3CCCC[C@H]3CC)c(=O)c2c1 ZINC000008714070 563349185 /nfs/dbraw/zinc/34/91/85/563349185.db2.gz UTOOHWPQRGUXJH-MRXNPFEDSA-N 1 0 312.457 4.576 50 0 DJAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O ZINC000008714131 563349402 /nfs/dbraw/zinc/34/94/02/563349402.db2.gz PFLBNSGVSVVVBK-MRXNPFEDSA-N 1 0 312.457 4.630 50 0 DJAARO Cc1ccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)cc1Cl ZINC000008993018 563351452 /nfs/dbraw/zinc/35/14/52/563351452.db2.gz SLHIIPTXLMEJCN-UHFFFAOYSA-N 1 0 312.800 4.593 50 0 DJAARO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]C3CC3)cc2c1 ZINC000012218855 563364501 /nfs/dbraw/zinc/36/45/01/563364501.db2.gz BFJLNJIRHGKWOK-UHFFFAOYSA-N 1 0 306.384 4.601 50 0 DJAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)c2ccc(F)cc2)cc1C ZINC000012302592 563366159 /nfs/dbraw/zinc/36/61/59/563366159.db2.gz JHINFPMOUWSQRT-OAHLLOKOSA-N 1 0 323.415 4.683 50 0 DJAARO c1ccc(C(SC2=[NH+][C@@H]3CCCC[C@H]3N2)c2ccccc2)cc1 ZINC000014196661 563397707 /nfs/dbraw/zinc/39/77/07/563397707.db2.gz DFVGCXDKIAAVDE-QZTJIDSGSA-N 1 0 322.477 4.780 50 0 DJAARO C[N@H+](Cc1ccc(F)c2cccnc12)[C@@H]1CCCc2ccccc21 ZINC000029702582 563435337 /nfs/dbraw/zinc/43/53/37/563435337.db2.gz BXWOZYUCQOIIRN-HXUWFJFHSA-N 1 0 320.411 4.883 50 0 DJAARO COc1ccccc1C[N@@H+]1CCCCC[C@@H]1c1cccs1 ZINC000033087308 563443797 /nfs/dbraw/zinc/44/37/97/563443797.db2.gz NTBJTMCAIJOTQL-MRXNPFEDSA-N 1 0 301.455 4.874 50 0 DJAARO CCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1)CC1CC1 ZINC000023282175 563450354 /nfs/dbraw/zinc/45/03/54/563450354.db2.gz SMDIJDXRUPFPIY-UHFFFAOYSA-N 1 0 309.453 4.888 50 0 DJAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000035511299 563453200 /nfs/dbraw/zinc/45/32/00/563453200.db2.gz ADEVYAZOQULSKU-GOSISDBHSA-N 1 0 314.429 4.534 50 0 DJAARO CC(=O)c1cccc(Nc2c3c([nH+]c4ccccc42)CCC3)c1 ZINC000000122872 563571245 /nfs/dbraw/zinc/57/12/45/563571245.db2.gz COFGHNNNKUCSMV-UHFFFAOYSA-N 1 0 302.377 4.670 50 0 DJAARO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1 ZINC000000270226 563584126 /nfs/dbraw/zinc/58/41/26/563584126.db2.gz CQNIOTWXQDXZCG-HXUWFJFHSA-N 1 0 324.468 4.832 50 0 DJAARO C([C@@H]1COC2(CCCCCCCCCCC2)O1)[NH+]1CCCCC1 ZINC000000286761 563584683 /nfs/dbraw/zinc/58/46/83/563584683.db2.gz OIIPIUYWDFRYAK-LJQANCHMSA-N 1 0 323.521 4.889 50 0 DJAARO COc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c2ccccc12 ZINC000001203023 563633480 /nfs/dbraw/zinc/63/34/80/563633480.db2.gz HZONHCKGTQGUSP-UHFFFAOYSA-N 1 0 321.464 4.763 50 0 DJAARO CC(C)C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000006883567 563639097 /nfs/dbraw/zinc/63/90/97/563639097.db2.gz FHYHHNPOXMLJQZ-UHFFFAOYSA-N 1 0 321.823 4.804 50 0 DJAARO c1csc(-c2cc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)no2)c1 ZINC000106858625 563682421 /nfs/dbraw/zinc/68/24/21/563682421.db2.gz ZCRCKCFAYICQFN-DZGCQCFKSA-N 1 0 302.443 4.558 50 0 DJAARO COc1ccc(OC)c(C[NH2+][C@H](C)c2cccc3ccccc32)c1 ZINC000025364064 563726477 /nfs/dbraw/zinc/72/64/77/563726477.db2.gz IOTMGINWJQENIO-OAHLLOKOSA-N 1 0 321.420 4.708 50 0 DJAARO c1ccc(-c2ccc(C[NH2+][C@H]3CCOc4ccccc43)cc2)cc1 ZINC000025357009 563726741 /nfs/dbraw/zinc/72/67/41/563726741.db2.gz YNELPAIDTFBXKK-NRFANRHFSA-N 1 0 315.416 4.967 50 0 DJAARO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000083823612 563812089 /nfs/dbraw/zinc/81/20/89/563812089.db2.gz QWYMQABRNFIAJB-IRXDYDNUSA-N 1 0 319.452 4.847 50 0 DJAARO CCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H]1C ZINC000239274824 563879652 /nfs/dbraw/zinc/87/96/52/563879652.db2.gz ASKDBXWNERMDNU-YHXSNJQLSA-N 1 0 323.480 4.876 50 0 DJAARO COc1ccccc1[C@H](CC[NH2+]Cc1ccccc1)c1ccco1 ZINC000002098258 563887149 /nfs/dbraw/zinc/88/71/49/563887149.db2.gz FEGQMTFMLAQFDC-IBGZPJMESA-N 1 0 321.420 4.600 50 0 biogenic DJAARO COc1ccccc1[C@@H](CC[NH2+]Cc1ccccc1)c1ccco1 ZINC000002098256 563887253 /nfs/dbraw/zinc/88/72/53/563887253.db2.gz FEGQMTFMLAQFDC-LJQANCHMSA-N 1 0 321.420 4.600 50 0 biogenic DJAARO CC[C@H](C)[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)c1ccccc1 ZINC000036031685 563892093 /nfs/dbraw/zinc/89/20/93/563892093.db2.gz AFYIHOFGMUCEOO-RXVVDRJESA-N 1 0 311.469 4.638 50 0 DJAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)c1ccccc1 ZINC000169678027 563895009 /nfs/dbraw/zinc/89/50/09/563895009.db2.gz JYMONHZDXRAYTG-GHTZIAJQSA-N 1 0 311.469 4.638 50 0 DJAARO C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)[C@H]2CCCC[C@H]12 ZINC000036390037 563897983 /nfs/dbraw/zinc/89/79/83/563897983.db2.gz XWEBGPXGDINQEI-NXHRZFHOSA-N 1 0 310.441 4.742 50 0 DJAARO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCCCCC1 ZINC000007378125 563905327 /nfs/dbraw/zinc/90/53/27/563905327.db2.gz GNTNPPOGASELDA-KRWDZBQOSA-N 1 0 322.452 4.557 50 0 DJAARO c1csc(-c2cnc(C[N@@H+]3CCC[C@]4(CC=CCC4)C3)o2)c1 ZINC000170626890 563908840 /nfs/dbraw/zinc/90/88/40/563908840.db2.gz YQFGMFQKFWQJNW-GOSISDBHSA-N 1 0 314.454 4.725 50 0 DJAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccccc2)(C(C)C)CCO1 ZINC000002111480 563914275 /nfs/dbraw/zinc/91/42/75/563914275.db2.gz WQVPNGWXOMBDFI-UXHICEINSA-N 1 0 303.490 4.788 50 0 biogenic DJAARO CC(C)CC[C@H](CC[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000002204075 563917342 /nfs/dbraw/zinc/91/73/42/563917342.db2.gz ARQKIYRYMUDXDT-QGZVFWFLSA-N 1 0 317.473 4.811 50 0 DJAARO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccoc2)cc1C ZINC000037522281 563918262 /nfs/dbraw/zinc/91/82/62/563918262.db2.gz IOZVMTFMUZWCMR-OAQYLSRUSA-N 1 0 320.436 4.693 50 0 DJAARO FC(F)(F)c1cccc(-c2cncc(C[NH+]3CCCCC3)c2)c1 ZINC000037554177 563918798 /nfs/dbraw/zinc/91/87/98/563918798.db2.gz KICMMENRTPVKJP-UHFFFAOYSA-N 1 0 320.358 4.753 50 0 DJAARO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)cc1)c1ccncc1 ZINC000095955768 563932360 /nfs/dbraw/zinc/93/23/60/563932360.db2.gz BKPOYFSFCZRCDF-MRXNPFEDSA-N 1 0 304.393 4.725 50 0 DJAARO C[C@H](N[C@@H](c1ccccc1)C1CC1)c1occc1Br ZINC000095967197 563933007 /nfs/dbraw/zinc/93/30/07/563933007.db2.gz NARUBECAUNHION-NHYWBVRUSA-N 1 0 320.230 4.844 50 0 DJAARO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(Cl)s1 ZINC000095967732 563933179 /nfs/dbraw/zinc/93/31/79/563933179.db2.gz RUEBLISWSAAMQH-OLZOCXBDSA-N 1 0 307.846 4.835 50 0 DJAARO Cc1c2ccccc2oc1[C@H]([NH2+][C@H](C)c1cnccn1)C(C)C ZINC000095967927 563933248 /nfs/dbraw/zinc/93/32/48/563933248.db2.gz HZMADFNCONRIHY-RDTXWAMCSA-N 1 0 309.413 4.579 50 0 DJAARO CC(C)(Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccccc1 ZINC000096027729 563935043 /nfs/dbraw/zinc/93/50/43/563935043.db2.gz DTEAIXWXMFZTPF-UHFFFAOYSA-N 1 0 307.359 4.816 50 0 DJAARO CC[C@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccccc1OC(F)F ZINC000096476588 563937239 /nfs/dbraw/zinc/93/72/39/563937239.db2.gz LTXIAUBDALNXNY-ABAIWWIYSA-N 1 0 324.346 4.624 50 0 DJAARO CC(C)C[C@H]([NH2+]Cc1cccc2cccnc21)c1ccccn1 ZINC000096476676 563937272 /nfs/dbraw/zinc/93/72/72/563937272.db2.gz VNIHFPDSZUPQJK-IBGZPJMESA-N 1 0 305.425 4.507 50 0 DJAARO Cc1cc([C@H](C)[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)c(C)o1 ZINC000096476776 563937437 /nfs/dbraw/zinc/93/74/37/563937437.db2.gz UDNYGCOPTSABCS-QWHCGFSZSA-N 1 0 303.450 4.568 50 0 DJAARO CC(C)(CC[NH2+][C@@H]1CCOC(C)(C)C1)Cc1ccc(Cl)cc1 ZINC000032074043 563945211 /nfs/dbraw/zinc/94/52/11/563945211.db2.gz QENHOMDDHPVLAD-QGZVFWFLSA-N 1 0 323.908 4.846 50 0 DJAARO CC(C)Oc1ccc([C@H]([NH2+][C@H]2CCOC(C)(C)C2)C(C)C)cc1 ZINC000008990829 563951833 /nfs/dbraw/zinc/95/18/33/563951833.db2.gz OSQKXYXKELABIZ-PKOBYXMFSA-N 1 0 319.489 4.718 50 0 DJAARO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000009739888 563957586 /nfs/dbraw/zinc/95/75/86/563957586.db2.gz AXYSXFPRKQGTKT-ZDUSSCGKSA-N 1 0 311.816 4.581 50 0 DJAARO O=C(c1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000071788916 563959755 /nfs/dbraw/zinc/95/97/55/563959755.db2.gz CUPBRMPSSUPUCV-IBGZPJMESA-N 1 0 311.400 4.626 50 0 DJAARO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nc3cc(F)ccc3o2)c1 ZINC000079092919 185157032 /nfs/dbraw/zinc/15/70/32/185157032.db2.gz VLKLMNJCJCIJLZ-KRWDZBQOSA-N 1 0 310.372 4.612 50 0 DJAARO C[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)c1cncc(F)c1 ZINC000095421076 185360377 /nfs/dbraw/zinc/36/03/77/185360377.db2.gz OGYJXZRTULVSHY-ZUZCIYMTSA-N 1 0 322.836 4.762 50 0 DJAARO CC(C)n1cc([C@@H](C)[NH2+][C@@H](c2cc(F)ccc2F)C2CC2)cn1 ZINC000095423502 185361164 /nfs/dbraw/zinc/36/11/64/185361164.db2.gz OJHHHJACNCQITD-KZULUSFZSA-N 1 0 319.399 4.544 50 0 DJAARO C[C@H](c1ccccn1)[N@H+](C)Cc1cccc(-c2ccccc2)c1 ZINC000095468627 185372454 /nfs/dbraw/zinc/37/24/54/185372454.db2.gz ZIBBOYCVETUNMH-QGZVFWFLSA-N 1 0 302.421 4.942 50 0 DJAARO Cc1ccc([C@@H]([NH2+][C@@H](C)Cc2ccncc2)c2ccccc2)cc1 ZINC000097032858 185399856 /nfs/dbraw/zinc/39/98/56/185399856.db2.gz MWNSIEGCNOEALZ-AVRDEDQJSA-N 1 0 316.448 4.700 50 0 DJAARO CC(C)[C@H]1C[C@](CC[NH+]2CCCCC2)(c2ccccc2)CCO1 ZINC000001193859 180849451 /nfs/dbraw/zinc/84/94/51/180849451.db2.gz UFMQWLIDSQXQNS-NHCUHLMSSA-N 1 0 315.501 4.635 50 0 DJAARO Cc1cc(Cl)cc(C)c1OCCCCCC[NH+]1CCCC1 ZINC000002899180 180968554 /nfs/dbraw/zinc/96/85/54/180968554.db2.gz OJDSDJMZHRVSHU-UHFFFAOYSA-N 1 0 309.881 4.992 50 0 DJAARO CC(C)(c1ccccc1)c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000003461218 181023599 /nfs/dbraw/zinc/02/35/99/181023599.db2.gz JFHHDVSGZPREAX-UHFFFAOYSA-N 1 0 323.480 4.877 50 0 DJAARO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000003564803 181035229 /nfs/dbraw/zinc/03/52/29/181035229.db2.gz FGTSFLFLSXRGNF-MRXNPFEDSA-N 1 0 316.489 4.604 50 0 DJAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3[C@@H]1CC(C)=C(C)C[C@H]1C ZINC000004028867 181064550 /nfs/dbraw/zinc/06/45/50/181064550.db2.gz NNRHSNHZPUZQPQ-WIBUTAKZSA-N 1 0 324.468 4.746 50 0 biogenic DJAARO c1ccc(Oc2cccc(OCCCC[NH+]3CCCC3)c2)cc1 ZINC000004472857 181111366 /nfs/dbraw/zinc/11/13/66/181111366.db2.gz JEWNHEWDQGXKSB-UHFFFAOYSA-N 1 0 311.425 4.734 50 0 DJAARO CCOc1ccccc1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000004657418 181133015 /nfs/dbraw/zinc/13/30/15/181133015.db2.gz YNZFLQDIXITTMY-UHFFFAOYSA-N 1 0 317.432 4.965 50 0 DJAARO CCCCOCCC[NH+](Cc1ccc(C)o1)Cc1ccc(C)o1 ZINC000004699226 181138974 /nfs/dbraw/zinc/13/89/74/181138974.db2.gz LMALMAAJJJXUNW-UHFFFAOYSA-N 1 0 319.445 4.698 50 0 DJAARO C[N@H+](CCOc1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000004905510 181171221 /nfs/dbraw/zinc/17/12/21/181171221.db2.gz NNAYUDQWATWDIH-UHFFFAOYSA-N 1 0 310.224 4.504 50 0 DJAARO C[C@@H](Cc1ccccc1)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000075249775 191449595 /nfs/dbraw/zinc/44/95/95/191449595.db2.gz VBMLMDFCZULTDN-SFHVURJKSA-N 1 0 301.433 4.997 50 0 DJAARO COc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)c(C)c1C ZINC000004990224 181185979 /nfs/dbraw/zinc/18/59/79/181185979.db2.gz FNKHNBXJOKKZGR-UHFFFAOYSA-N 1 0 323.480 4.767 50 0 DJAARO Cc1ccc(-c2ccc(C[NH2+]Cc3ccncc3)o2)cc1Cl ZINC000004999760 181188240 /nfs/dbraw/zinc/18/82/40/181188240.db2.gz BUXGJKLNVGVKGI-UHFFFAOYSA-N 1 0 312.800 4.593 50 0 DJAARO CC[NH+](CC)CCCOc1c(Cl)cc(Cl)cc1Cl ZINC000005023554 181192696 /nfs/dbraw/zinc/19/26/96/181192696.db2.gz CWXRTMKOSBEYRW-UHFFFAOYSA-N 1 0 310.652 4.758 50 0 DJAARO Clc1ccc(-c2cc(C[NH+]3CCCCC3)no2)cc1Cl ZINC000005749651 181280363 /nfs/dbraw/zinc/28/03/63/181280363.db2.gz MIMHMLBEMDVDSD-UHFFFAOYSA-N 1 0 311.212 4.634 50 0 DJAARO Cc1ncsc1[C@H](C)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000089516924 192807776 /nfs/dbraw/zinc/80/77/76/192807776.db2.gz WWIMZWBKGWBTBC-XJKSGUPXSA-N 1 0 300.471 4.915 50 0 DJAARO CCCC[N@H+](Cc1ccc(Br)o1)Cc1ccccc1 ZINC000006397516 181337081 /nfs/dbraw/zinc/33/70/81/181337081.db2.gz IVLNKGSTGJMWEU-UHFFFAOYSA-N 1 0 322.246 4.844 50 0 DJAARO CC(C)c1cccc(OCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000006624344 181362386 /nfs/dbraw/zinc/36/23/86/181362386.db2.gz LGWMZWJFYITHPM-OAQYLSRUSA-N 1 0 324.468 4.811 50 0 biogenic DJAARO Cc1ccc2[nH]cc([C@@H](C[NH3+])c3cccc(C(F)(F)F)c3)c2c1 ZINC000091690210 193092245 /nfs/dbraw/zinc/09/22/45/193092245.db2.gz HPPFHHUEIHXERW-HNNXBMFYSA-N 1 0 318.342 4.586 50 0 DJAARO CCc1ccc2c(C[NH2+]C3CCCCCCC3)cc(=O)oc2c1 ZINC000007737663 181491333 /nfs/dbraw/zinc/49/13/33/181491333.db2.gz NHOWSRNDPQIVEI-UHFFFAOYSA-N 1 0 313.441 4.558 50 0 DJAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2cc(C)cc(C)c2c1=O ZINC000008717414 181578534 /nfs/dbraw/zinc/57/85/34/181578534.db2.gz FAYVLRDNLSDICJ-MRXNPFEDSA-N 1 0 312.457 4.630 50 0 DJAARO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)[C@@H](O)c1ccccc1 ZINC000019872170 182159086 /nfs/dbraw/zinc/15/90/86/182159086.db2.gz NATUZEAPAOKDTI-VGOFRKELSA-N 1 0 317.432 4.565 50 0 DJAARO C[C@H]1CCCC[C@@H]1[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000019889529 182160646 /nfs/dbraw/zinc/16/06/46/182160646.db2.gz OWTCJCWCRNISDS-AVRDEDQJSA-N 1 0 322.496 4.536 50 0 DJAARO Cc1ccc2nc(Cl)c(C[NH2+]Cc3cccs3)cc2c1 ZINC000020143461 182191807 /nfs/dbraw/zinc/19/18/07/182191807.db2.gz FDCJGGGIXJYIIW-UHFFFAOYSA-N 1 0 302.830 4.548 50 0 DJAARO CC(C)(C)c1ccc(OCC2CC[NH2+]CC2)c(C(C)(C)C)c1 ZINC000020221696 182198468 /nfs/dbraw/zinc/19/84/68/182198468.db2.gz DAXJZCVCCZDIGE-UHFFFAOYSA-N 1 0 303.490 4.660 50 0 DJAARO CC(C)c1c[nH]nc1[C@H]1CCC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000020598490 182236349 /nfs/dbraw/zinc/23/63/49/182236349.db2.gz VVOZPRDRWVBYSI-AEFFLSMTSA-N 1 0 311.473 4.516 50 0 DJAARO Clc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1Cl ZINC000021009371 182259596 /nfs/dbraw/zinc/25/95/96/182259596.db2.gz KEURMMJCGRSCAD-UHFFFAOYSA-N 1 0 319.235 4.807 50 0 DJAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000021720865 182286664 /nfs/dbraw/zinc/28/66/64/182286664.db2.gz PPSNLYNYILPVQL-OAHLLOKOSA-N 1 0 304.821 4.536 50 0 DJAARO COc1cc(C[NH2+][C@@H](C)c2cccc3ccccc32)cc(OC)c1 ZINC000022787773 182335006 /nfs/dbraw/zinc/33/50/06/182335006.db2.gz RGBZTVSRFGAEDK-HNNXBMFYSA-N 1 0 321.420 4.708 50 0 DJAARO Clc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(-c2ccccc2)c1 ZINC000042771173 183307018 /nfs/dbraw/zinc/30/70/18/183307018.db2.gz IUGYXXHIVISMFO-KRWDZBQOSA-N 1 0 315.844 4.918 50 0 DJAARO Clc1cc(-c2ccccc2)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042770759 183307336 /nfs/dbraw/zinc/30/73/36/183307336.db2.gz FSSVMWUXZVNUBL-QGZVFWFLSA-N 1 0 315.844 4.918 50 0 DJAARO Cc1ccccc1C[N@@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000057995455 184065526 /nfs/dbraw/zinc/06/55/26/184065526.db2.gz NMUORBNYFBQCOS-UHFFFAOYSA-N 1 0 318.420 4.814 50 0 DJAARO CCC[N@H+](Cc1nc2ccccc2o1)[C@H]1CCc2ccccc2C1 ZINC000064632608 184301705 /nfs/dbraw/zinc/30/17/05/184301705.db2.gz UFDHMEJJSVYAIN-SFHVURJKSA-N 1 0 320.436 4.597 50 0 DJAARO Brc1ccc([C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000065337599 184325050 /nfs/dbraw/zinc/32/50/50/184325050.db2.gz DFLJXKKHZUELSW-QGZVFWFLSA-N 1 0 316.242 4.634 50 0 DJAARO C[C@@H](c1ccc(-c2ccc(F)cc2Cl)cc1)[NH+]1CCOCC1 ZINC000426406145 257250822 /nfs/dbraw/zinc/25/08/22/257250822.db2.gz NEZFSSIJECOPSQ-ZDUSSCGKSA-N 1 0 319.807 4.539 50 0 DJAARO Cc1cc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)c(=O)[nH]c1C ZINC000426380672 257252540 /nfs/dbraw/zinc/25/25/40/257252540.db2.gz QXLJLLYJHXGBNF-INIZCTEOSA-N 1 0 310.441 4.618 50 0 DJAARO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccccc1 ZINC000408525950 257254759 /nfs/dbraw/zinc/25/47/59/257254759.db2.gz VYOHAFVGRCJOHF-UHFFFAOYSA-N 1 0 307.359 4.816 50 0 DJAARO Cc1ccc(C)c(N2CC[NH+](CC[C@@H](C)c3ccccc3)CC2)c1 ZINC000004980688 134466967 /nfs/dbraw/zinc/46/69/67/134466967.db2.gz YDFSQAALRMLOLL-LJQANCHMSA-N 1 0 322.496 4.619 50 0 DJAARO COc1ccc(OC)c(-c2cccc([C@H](C)[NH+]3CCCC3)c2)c1 ZINC000534644198 334306565 /nfs/dbraw/zinc/30/65/65/334306565.db2.gz LQUJQEZLFBPNKO-HNNXBMFYSA-N 1 0 311.425 4.528 50 0 DJAARO Clc1ccc(NCc2cc(C[NH+]3CCCCC3)cs2)cc1 ZINC000045796093 563465124 /nfs/dbraw/zinc/46/51/24/563465124.db2.gz MXYVKPJITFFMHK-UHFFFAOYSA-N 1 0 320.889 5.000 50 0 DJAARO CCOC(=O)c1cccc(Nc2cc(C)[nH+]c3c(C)cccc23)c1 ZINC000000112381 563218845 /nfs/dbraw/zinc/21/88/45/563218845.db2.gz UHRZVHVEZOZNCH-UHFFFAOYSA-N 1 0 320.392 4.772 50 0 DJAARO Clc1ccc(OCCC[NH+]2CCCCC2)c2ccccc12 ZINC000002183533 563301399 /nfs/dbraw/zinc/30/13/99/563301399.db2.gz MMPPZCMZWXPFAW-UHFFFAOYSA-N 1 0 303.833 4.748 50 0 DJAARO Cc1ccc(C)c(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000002514512 563305193 /nfs/dbraw/zinc/30/51/93/563305193.db2.gz HBBJRNQOSIQFPB-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO Cc1ccc(C(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1C ZINC000002515015 563305412 /nfs/dbraw/zinc/30/54/12/563305412.db2.gz WSSWXIJQSJGXAG-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO CCc1ccc(-c2cncc(C[N@H+](C)Cc3ccccc3)c2)cc1 ZINC000034670396 563311397 /nfs/dbraw/zinc/31/13/97/563311397.db2.gz NBWJJWJWCZYDTP-UHFFFAOYSA-N 1 0 316.448 4.943 50 0 DJAARO Clc1cccc(OCCCC[NH+]2CCCCC2)c1Cl ZINC000002932855 563318245 /nfs/dbraw/zinc/31/82/45/563318245.db2.gz SBIRAINWXJSHRT-UHFFFAOYSA-N 1 0 302.245 4.638 50 0 DJAARO [NH3+]C[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1 ZINC000003319633 563324275 /nfs/dbraw/zinc/32/42/75/563324275.db2.gz VWDKTWOKEKGMSJ-LJQANCHMSA-N 1 0 312.416 4.926 50 0 DJAARO [NH3+]CCS[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000005685436 563330393 /nfs/dbraw/zinc/33/03/93/563330393.db2.gz FTRCCABVJKWGNY-MRXNPFEDSA-N 1 0 321.898 4.780 50 0 DJAARO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000225329542 563333620 /nfs/dbraw/zinc/33/36/20/563333620.db2.gz WYEPLTVFZPMYMY-KGYLQXTDSA-N 1 0 312.548 4.684 50 0 DJAARO Cc1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000010362826 563356558 /nfs/dbraw/zinc/35/65/58/563356558.db2.gz DKWUPXIQIKKOCO-UHFFFAOYSA-N 1 0 322.452 4.542 50 0 DJAARO CC(C)c1ccc(N[C@H]2CCC[N@@H+](C3CCSCC3)C2)cc1 ZINC000011821661 563360010 /nfs/dbraw/zinc/36/00/10/563360010.db2.gz IFNJEMLTBUVTTI-SFHVURJKSA-N 1 0 318.530 4.582 50 0 DJAARO c1[nH]nc(C2CC[NH+](C[C@H]3CC=CCC3)CC2)c1-c1ccccc1 ZINC000012246271 563365748 /nfs/dbraw/zinc/36/57/48/563365748.db2.gz DMFLQRINMQWPQB-KRWDZBQOSA-N 1 0 321.468 4.612 50 0 DJAARO Cc1c([C@H](C)[NH2+]C2CCCC2)cnn1-c1cccc2ccccc21 ZINC000012588054 563371500 /nfs/dbraw/zinc/37/15/00/563371500.db2.gz ZKGWVTXKIKRAGA-HNNXBMFYSA-N 1 0 319.452 4.927 50 0 DJAARO CCC[N@@H+](Cc1nc(-c2cccc(F)c2F)oc1C)CC1CC1 ZINC000012702658 563372393 /nfs/dbraw/zinc/37/23/93/563372393.db2.gz AJZZBZLQEMBSFR-UHFFFAOYSA-N 1 0 320.383 4.550 50 0 DJAARO CCOc1ccc2nc(Cl)c(C[NH2+]C3CCCCC3)cc2c1 ZINC000013535378 563382597 /nfs/dbraw/zinc/38/25/97/563382597.db2.gz ZLIZLFKRZXVHFV-UHFFFAOYSA-N 1 0 318.848 4.709 50 0 DJAARO c1c2ccccc2oc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000015064727 563406983 /nfs/dbraw/zinc/40/69/83/563406983.db2.gz ORWURHFQLZYQEM-GOSISDBHSA-N 1 0 306.409 4.509 50 0 DJAARO C[N@H+](Cc1coc(-c2cccs2)n1)[C@@H]1CCCc2ccccc21 ZINC000027906152 563429969 /nfs/dbraw/zinc/42/99/69/563429969.db2.gz TWPAWADMIKFICK-QGZVFWFLSA-N 1 0 324.449 4.913 50 0 DJAARO CCC[NH+](CCC)CP(=O)(OCC(C)C)OCC(C)C ZINC000022016517 563449070 /nfs/dbraw/zinc/44/90/70/563449070.db2.gz YCOUSSTYGDGYAB-UHFFFAOYSA-N 1 0 307.415 4.604 50 0 DJAARO CCCCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000002907782 563449674 /nfs/dbraw/zinc/44/96/74/563449674.db2.gz AMMZQPZCGAOENQ-NRFANRHFSA-N 1 0 324.468 4.988 50 0 DJAARO CC(C)c1cc(C2CC[NH+](Cc3cc4ccccc4o3)CC2)[nH]n1 ZINC000067723485 563489610 /nfs/dbraw/zinc/48/96/10/563489610.db2.gz VXLLNKXCGMMCMM-UHFFFAOYSA-N 1 0 323.440 4.659 50 0 DJAARO C[N@@H+]1CCC[C@@H]1c1c[nH]c2ccc(OCc3ccccc3)cc21 ZINC000002019260 563634252 /nfs/dbraw/zinc/63/42/52/563634252.db2.gz SLFSSUKLMIHWLW-HXUWFJFHSA-N 1 0 306.409 4.514 50 0 DJAARO Fc1ccc(C[N@@H+]2CCC[C@H]2c2ccsc2)c2ncccc12 ZINC000051853010 563724092 /nfs/dbraw/zinc/72/40/92/563724092.db2.gz OHXIEEBVWSJXIF-KRWDZBQOSA-N 1 0 312.413 4.773 50 0 DJAARO CSc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)s1 ZINC000225513349 563757401 /nfs/dbraw/zinc/75/74/01/563757401.db2.gz LKGOATRMOITIIG-INIZCTEOSA-N 1 0 318.511 4.982 50 0 DJAARO CC[NH+](CC)CCO[C@H](c1ccccc1C)C1CCCCC1 ZINC000000971577 563785970 /nfs/dbraw/zinc/78/59/70/563785970.db2.gz OVWYRYFAKYWFLR-FQEVSTJZSA-N 1 0 303.490 4.975 50 0 DJAARO C[C@@H]1CCC[C@H]([NH2+]CCCCOc2ccc(Cl)cc2)[C@H]1C ZINC000239309519 563879901 /nfs/dbraw/zinc/87/99/01/563879901.db2.gz HQFVREARNLXVII-VKJFTORMSA-N 1 0 309.881 4.913 50 0 DJAARO CCCOc1cccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000001833747 563882243 /nfs/dbraw/zinc/88/22/43/563882243.db2.gz NRRHFCIUBUJLNZ-FQEVSTJZSA-N 1 0 310.441 4.598 50 0 biogenic DJAARO c1coc([C@H](CC[NH2+]Cc2ccccc2)Cc2ccccc2)c1 ZINC000001812311 563882413 /nfs/dbraw/zinc/88/24/13/563882413.db2.gz IZFAYTPVDGJXAT-HXUWFJFHSA-N 1 0 305.421 4.786 50 0 DJAARO CC(C)CC[C@@H](CC[NH+]1CCCCC1)c1ccc2c(c1)OCO2 ZINC000002204074 563917352 /nfs/dbraw/zinc/91/73/52/563917352.db2.gz ARQKIYRYMUDXDT-KRWDZBQOSA-N 1 0 317.473 4.811 50 0 DJAARO c1ccc2cc(-c3cncc(C[NH+]4CCCCC4)c3)ccc2c1 ZINC000037554017 563918713 /nfs/dbraw/zinc/91/87/13/563918713.db2.gz LEJKHINZLXSZFQ-UHFFFAOYSA-N 1 0 302.421 4.888 50 0 DJAARO Cc1ccc([C@H](CC[NH2+]Cc2cccs2)c2ccco2)cc1 ZINC000002425935 563928482 /nfs/dbraw/zinc/92/84/82/563928482.db2.gz PCZSWDXDFJLGND-SFHVURJKSA-N 1 0 311.450 4.961 50 0 DJAARO COc1ccccc1-c1ccc([C@H](C)[NH2+]Cc2ccccn2)cc1 ZINC000390833464 563930767 /nfs/dbraw/zinc/93/07/67/563930767.db2.gz HZSLTQQOYXVLCJ-INIZCTEOSA-N 1 0 318.420 4.608 50 0 DJAARO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(Cl)s1 ZINC000095968362 563933268 /nfs/dbraw/zinc/93/32/68/563933268.db2.gz FVEZKNAYLZWNMC-JSGCOSHPSA-N 1 0 309.862 4.566 50 0 DJAARO c1ccc([C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)c2ccncc2)cc1 ZINC000095981660 563933909 /nfs/dbraw/zinc/93/39/09/563933909.db2.gz IKMIORSJIUAYGD-FKBYEOEOSA-N 1 0 314.432 4.564 50 0 DJAARO C[NH+](C)CCCSC1c2ccccc2CCc2ccccc21 ZINC000096027571 563935160 /nfs/dbraw/zinc/93/51/60/563935160.db2.gz LSOYYJFMRKTOQN-UHFFFAOYSA-N 1 0 311.494 4.560 50 0 DJAARO CC(C)(CC[NH2+][C@H]1CCOC(C)(C)C1)Cc1ccc(Cl)cc1 ZINC000032074045 563945215 /nfs/dbraw/zinc/94/52/15/563945215.db2.gz QENHOMDDHPVLAD-KRWDZBQOSA-N 1 0 323.908 4.846 50 0 DJAARO CCCCc1ccc2[nH]c(C)c(C[N@@H+](C)CCCC)c(=O)c2c1 ZINC000008717212 563949914 /nfs/dbraw/zinc/94/99/14/563949914.db2.gz AETBJAXFKWWDLR-UHFFFAOYSA-N 1 0 314.473 4.823 50 0 DJAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2c(Cl)cccc2c1=O ZINC000009911017 563958007 /nfs/dbraw/zinc/95/80/07/563958007.db2.gz SNXYGJNRKNUFMK-ZDUSSCGKSA-N 1 0 318.848 4.667 50 0 DJAARO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cccc3ccccc32)cc1 ZINC000014092823 568414717 /nfs/dbraw/zinc/41/47/17/568414717.db2.gz UWYCWLLVDGRFBS-OAHLLOKOSA-N 1 0 318.420 4.649 50 0 DJAARO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C)c1ccc(F)cn1 ZINC000090114983 185282777 /nfs/dbraw/zinc/28/27/77/185282777.db2.gz SXMUGGNSXGORAM-OCVORMKJSA-N 1 0 318.823 4.922 50 0 DJAARO CC[NH+](CC)CC[C@H](C)OC(c1ccccc1)c1ccccc1 ZINC000001770127 190615975 /nfs/dbraw/zinc/61/59/75/190615975.db2.gz XXCWBAVZJKEYFK-SFHVURJKSA-N 1 0 311.469 4.913 50 0 DJAARO Cc1ccc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1C ZINC000096997161 185395738 /nfs/dbraw/zinc/39/57/38/185395738.db2.gz RFAVTWCEQIJAOW-LJQANCHMSA-N 1 0 307.441 4.667 50 0 DJAARO CCSc1ccc([C@@H](C)[NH2+][C@H](C)c2cnc(C)nc2C)cc1 ZINC000097016782 185397484 /nfs/dbraw/zinc/39/74/84/185397484.db2.gz DMXLWUAZHUNNIX-CHWSQXEVSA-N 1 0 315.486 4.617 50 0 DJAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000095468624 185372271 /nfs/dbraw/zinc/37/22/71/185372271.db2.gz NCUKLVPGSRYDFG-AWEZNQCLSA-N 1 0 310.372 4.674 50 0 DJAARO Clc1ccc(-c2ccc(C[NH+]3CC(c4cccnc4)C3)o2)cc1 ZINC000072168173 191067117 /nfs/dbraw/zinc/06/71/17/191067117.db2.gz PPMWGPZXWZHPTM-UHFFFAOYSA-N 1 0 324.811 4.594 50 0 DJAARO Cc1cc2oc(=O)cc(C[NH+]3CCCCCC3)c2cc1C(C)C ZINC000003342460 181009258 /nfs/dbraw/zinc/00/92/58/181009258.db2.gz HQECTECVKOAIPK-UHFFFAOYSA-N 1 0 313.441 4.601 50 0 DJAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3[C@H]1CC(C)=C(C)C[C@H]1C ZINC000004028865 181064652 /nfs/dbraw/zinc/06/46/52/181064652.db2.gz NNRHSNHZPUZQPQ-CFLQYTFWSA-N 1 0 324.468 4.746 50 0 biogenic DJAARO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000004030993 181065369 /nfs/dbraw/zinc/06/53/69/181065369.db2.gz XGRXZYRAXFHXCA-QHAWAJNXSA-N 1 0 309.453 4.518 50 0 DJAARO Cc1[nH]c2ccccc2c1[C@@H](c1ccccn1)[NH+]1CCC(C)CC1 ZINC000004123463 181076841 /nfs/dbraw/zinc/07/68/41/181076841.db2.gz NBKDMBGWUXYCJB-OAQYLSRUSA-N 1 0 319.452 4.693 50 0 DJAARO CCCC[N@H+](C)Cc1c(-c2ccc(C)cc2)nc2sccn12 ZINC000004566802 181125288 /nfs/dbraw/zinc/12/52/88/181125288.db2.gz FQSMGJRCJJMTFA-UHFFFAOYSA-N 1 0 313.470 4.603 50 0 DJAARO COc1ccc(C[NH2+]Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000004700377 181139126 /nfs/dbraw/zinc/13/91/26/181139126.db2.gz IRZTVIUZJPYVAW-UHFFFAOYSA-N 1 0 319.404 4.777 50 0 DJAARO Cc1ccc(CNc2[nH+]cc(-c3ccc(C)c(C)c3)n2C)cc1 ZINC000004678744 181136206 /nfs/dbraw/zinc/13/62/06/181136206.db2.gz WBJYTKKBQWUZEQ-UHFFFAOYSA-N 1 0 305.425 4.624 50 0 DJAARO CC[n+]1ccccc1/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000004775318 181150639 /nfs/dbraw/zinc/15/06/39/181150639.db2.gz QEGPGHPGUURULN-SDNWHVSQSA-N 1 0 316.424 4.743 50 0 DJAARO CCOc1ccc(Nc2cc(C)[nH+]c3ccc(OC)cc23)cc1 ZINC000005644944 181267315 /nfs/dbraw/zinc/26/73/15/181267315.db2.gz MUSGHHQBCDPWLT-UHFFFAOYSA-N 1 0 308.381 4.694 50 0 DJAARO Cc1cc(C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)c(C)o1 ZINC000089725743 192850885 /nfs/dbraw/zinc/85/08/85/192850885.db2.gz WTFFWUXHAKMVFW-NSHDSACASA-N 1 0 306.475 4.810 50 0 DJAARO C[NH+](C)Cc1ccccc1Sc1ccccc1C(F)(F)F ZINC000006177299 181317745 /nfs/dbraw/zinc/31/77/45/181317745.db2.gz MIKJXGQGXWCRIU-UHFFFAOYSA-N 1 0 311.372 4.918 50 0 DJAARO CCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(C)cc2c1=O ZINC000008700841 181574406 /nfs/dbraw/zinc/57/44/06/181574406.db2.gz CSHZIAHNYWHKRD-UHFFFAOYSA-N 1 0 314.473 4.959 50 0 biogenic DJAARO CCC[NH+]1CCC(c2n[nH]cc2-c2ccc3ccccc3c2)CC1 ZINC000014987514 181981129 /nfs/dbraw/zinc/98/11/29/181981129.db2.gz FFGYARKTXZXBSY-UHFFFAOYSA-N 1 0 319.452 4.819 50 0 DJAARO Cc1c2c(c(C)n1-c1ccccc1)[C@@]1(CCCC[C@@H]1C)[NH2+]CC2 ZINC000015525260 182005128 /nfs/dbraw/zinc/00/51/28/182005128.db2.gz VPMXRBXAQBXEOI-BTYIYWSLSA-N 1 0 308.469 4.645 50 0 DJAARO CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000015837246 182020756 /nfs/dbraw/zinc/02/07/56/182020756.db2.gz HQMKBCFYCQGEKO-FQEVSTJZSA-N 1 0 313.416 4.950 50 0 DJAARO CC[C@@H](C[NH2+]Cc1ccccc1Cl)Oc1ccccc1C ZINC000019737606 182141326 /nfs/dbraw/zinc/14/13/26/182141326.db2.gz FHIXCPHRXXGNLD-INIZCTEOSA-N 1 0 303.833 4.596 50 0 DJAARO CCCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000022034338 182305381 /nfs/dbraw/zinc/30/53/81/182305381.db2.gz CITYWBRZDXKQBZ-FQEVSTJZSA-N 1 0 310.441 4.598 50 0 DJAARO CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000022034334 182305672 /nfs/dbraw/zinc/30/56/72/182305672.db2.gz CITYWBRZDXKQBZ-HXUWFJFHSA-N 1 0 310.441 4.598 50 0 DJAARO C[N@H+](Cc1ncc(-c2ccccc2)o1)[C@H]1CCCc2ccccc21 ZINC000023053733 182346447 /nfs/dbraw/zinc/34/64/47/182346447.db2.gz IMADOXKAJJEDAT-IBGZPJMESA-N 1 0 318.420 4.851 50 0 DJAARO c1ccc(-c2ccc(C[NH2+][C@@H]3CCOc4ccccc43)cc2)cc1 ZINC000025357005 182411156 /nfs/dbraw/zinc/41/11/56/182411156.db2.gz YNELPAIDTFBXKK-OAQYLSRUSA-N 1 0 315.416 4.967 50 0 DJAARO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000040153674 183040759 /nfs/dbraw/zinc/04/07/59/183040759.db2.gz XADQFKRBOCONMW-IBGZPJMESA-N 1 0 318.420 4.987 50 0 DJAARO COC(c1cc(C)cc(C)c1)(c1cc(C)cc(C)c1)[C@H]1CCC[NH2+]1 ZINC000043763906 183385115 /nfs/dbraw/zinc/38/51/15/183385115.db2.gz VIKGYBJDJFXSSU-OAQYLSRUSA-N 1 0 323.480 4.562 50 0 DJAARO CC(C)c1c[nH]nc1[C@H]1CCC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000106721986 194247154 /nfs/dbraw/zinc/24/71/54/194247154.db2.gz VVOZPRDRWVBYSI-WMZOPIPTSA-N 1 0 311.473 4.516 50 0 DJAARO C[C@@H]([NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccco1 ZINC000058161691 184082803 /nfs/dbraw/zinc/08/28/03/184082803.db2.gz TZOMQSVKMRJLBA-SNVBAGLBSA-N 1 0 324.207 4.713 50 0 DJAARO Cc1ccccc1C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000060356450 184146733 /nfs/dbraw/zinc/14/67/33/184146733.db2.gz XAMNBZLLTDEMKW-UHFFFAOYSA-N 1 0 320.436 4.715 50 0 DJAARO Cc1ccc([C@H](C)[N@H+](C)Cc2cc(-c3ccccc3)no2)cc1 ZINC000059038230 184134016 /nfs/dbraw/zinc/13/40/16/184134016.db2.gz DNEFECVZRNFVGA-INIZCTEOSA-N 1 0 306.409 4.843 50 0 DJAARO CC(C)[N@H+](Cc1nc2ccccc2o1)Cc1cccc(Cl)c1 ZINC000059385990 184137977 /nfs/dbraw/zinc/13/79/77/184137977.db2.gz ZFBGGBSOARBKAQ-UHFFFAOYSA-N 1 0 314.816 4.892 50 0 DJAARO C[C@H](c1ccc(-c2cc(F)ccc2Cl)cc1)[NH+]1CCOCC1 ZINC000426697548 257244324 /nfs/dbraw/zinc/24/43/24/257244324.db2.gz NVSLVZPCZFRQNO-CYBMUJFWSA-N 1 0 319.807 4.539 50 0 DJAARO Cc1cc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)c(=O)[nH]c1C ZINC000426380674 257252605 /nfs/dbraw/zinc/25/26/05/257252605.db2.gz QXLJLLYJHXGBNF-MRXNPFEDSA-N 1 0 310.441 4.618 50 0 DJAARO FC(F)(F)c1ccc(CC2([NH2+]Cc3ccccc3)CC2)cc1 ZINC000408525940 257254623 /nfs/dbraw/zinc/25/46/23/257254623.db2.gz ULISRQVSTFTADN-UHFFFAOYSA-N 1 0 305.343 4.570 50 0 DJAARO COc1ccc(C[C@H](C)[N@H+](C)Cc2cccc3ccccc32)cc1 ZINC000003680967 257267397 /nfs/dbraw/zinc/26/73/97/257267397.db2.gz RZUKLYYDURBWJF-KRWDZBQOSA-N 1 0 319.448 4.911 50 0 DJAARO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000023280298 336387226 /nfs/dbraw/zinc/38/72/26/336387226.db2.gz WQIGZIYQAJTVMS-CYBMUJFWSA-N 1 0 323.358 4.522 50 0 DJAARO Cc1cc(OCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1Cl ZINC000002825179 563913004 /nfs/dbraw/zinc/91/30/04/563913004.db2.gz RZVBGYDXLDYFIA-GASCZTMLSA-N 1 0 309.881 4.785 50 0 DJAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(C)c3)c2c1 ZINC000000144311 563223841 /nfs/dbraw/zinc/22/38/41/563223841.db2.gz DCWDUGDJRYPWDE-UHFFFAOYSA-N 1 0 320.392 4.772 50 0 DJAARO COc1ccc(OC)c(Nc2cc(C)[nH+]c3c(C)cccc23)c1 ZINC000000183387 563228660 /nfs/dbraw/zinc/22/86/60/563228660.db2.gz NUKJRHPMQPVGFU-UHFFFAOYSA-N 1 0 308.381 4.612 50 0 DJAARO CC(C)(C)[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000000200217 563229834 /nfs/dbraw/zinc/22/98/34/563229834.db2.gz QUTZYHCYYKOUGT-UHFFFAOYSA-N 1 0 321.424 4.537 50 0 DJAARO CC(C)[C@@H]1C[C@](CC[NH+]2CCCCC2)(c2ccccc2)CCO1 ZINC000001193860 563279526 /nfs/dbraw/zinc/27/95/26/563279526.db2.gz UFMQWLIDSQXQNS-LEWJYISDSA-N 1 0 315.501 4.635 50 0 DJAARO Cc1cccc(N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1C ZINC000001227096 563279843 /nfs/dbraw/zinc/27/98/43/563279843.db2.gz GNIKXVAQLIOXFL-UHFFFAOYSA-N 1 0 322.496 4.749 50 0 DJAARO CC(C)(c1ccccc1)c1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000001543615 563284667 /nfs/dbraw/zinc/28/46/67/563284667.db2.gz XERNGIBISZXPNG-FQEVSTJZSA-N 1 0 323.480 4.924 50 0 DJAARO CC[NH+](CC)CC[C@@H](C)OC(c1ccccc1)c1ccccc1 ZINC000001770125 563295318 /nfs/dbraw/zinc/29/53/18/563295318.db2.gz XXCWBAVZJKEYFK-GOSISDBHSA-N 1 0 311.469 4.913 50 0 DJAARO O=C(CCCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000001778374 563295684 /nfs/dbraw/zinc/29/56/84/563295684.db2.gz PKNQADVTXRUPKA-HXUWFJFHSA-N 1 0 307.437 4.529 50 0 DJAARO CC(C)CC[C@]1(CC[NH2+]Cc2ccco2)CCOC(C)(C)C1 ZINC000002112330 563300176 /nfs/dbraw/zinc/30/01/76/563300176.db2.gz SMWWVQMZQWETQU-IBGZPJMESA-N 1 0 307.478 4.771 50 0 biogenic DJAARO CC(C)Oc1cccc(OCCCC[NH+]2CCCCCC2)c1 ZINC000002838925 563314360 /nfs/dbraw/zinc/31/43/60/563314360.db2.gz AULWOSFFCYXJQX-UHFFFAOYSA-N 1 0 305.462 4.509 50 0 DJAARO C/C=C/c1ccc(OCCCC[NH+]2CCCCCC2)c(OC)c1 ZINC000002839736 563314444 /nfs/dbraw/zinc/31/44/44/563314444.db2.gz DTZQGWQZWIEMJX-XCVCLJGOSA-N 1 0 317.473 4.763 50 0 DJAARO CCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000002887462 563316920 /nfs/dbraw/zinc/31/69/20/563316920.db2.gz BMMLTKDYUZIRDW-UHFFFAOYSA-N 1 0 303.833 4.809 50 0 DJAARO Cc1cc(Cl)cc(C)c1OCCCCC[NH+]1CCCCC1 ZINC000002899642 563317704 /nfs/dbraw/zinc/31/77/04/563317704.db2.gz CKMULBKGHHTJDR-UHFFFAOYSA-N 1 0 309.881 4.992 50 0 DJAARO Clc1ccccc1CSC1=[NH+]CCCN1C1CCCCC1 ZINC000003138699 563322220 /nfs/dbraw/zinc/32/22/20/563322220.db2.gz QGHZBHBPGFEOTP-UHFFFAOYSA-N 1 0 322.905 4.968 50 0 DJAARO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000004980442 563328386 /nfs/dbraw/zinc/32/83/86/563328386.db2.gz CHSGVYCMVYIQFC-UHFFFAOYSA-N 1 0 322.496 4.749 50 0 DJAARO CCC1CCC(N2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1 ZINC000022575799 563419129 /nfs/dbraw/zinc/41/91/29/563419129.db2.gz DGZHQCBZSBQFIX-HXJFWZBSSA-N 1 0 318.549 4.684 50 0 DJAARO C[NH2+][C@@H]1CC[C@@H](c2ccc(Br)cc2)c2ccccc21 ZINC000029325197 563433663 /nfs/dbraw/zinc/43/36/63/563433663.db2.gz RHZPRTGVQUYQFA-WMLDXEAASA-N 1 0 316.242 4.635 50 0 in-vitro DJAARO COc1ccc2c(c1)C[N@@H+](C)C[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000029230271 563434000 /nfs/dbraw/zinc/43/40/00/563434000.db2.gz ZJDCGVDEEHWEIG-OAHLLOKOSA-N 1 0 322.235 4.579 50 0 in-man DJAARO CCSCCC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000072304827 563443982 /nfs/dbraw/zinc/44/39/82/563443982.db2.gz UDOQKNZPZVKGIN-MRXNPFEDSA-N 1 0 323.552 4.900 50 0 DJAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087321 563444416 /nfs/dbraw/zinc/44/44/16/563444416.db2.gz FKOBIOVFDIBBQD-KRWDZBQOSA-N 1 0 301.455 4.874 50 0 DJAARO CC1(C)Cc2c3ccccc3ccc2C(CC[NH+]2CCCCC2)=N1 ZINC000001230495 563448318 /nfs/dbraw/zinc/44/83/18/563448318.db2.gz JEQBWWPAELPHQM-UHFFFAOYSA-N 1 0 320.480 4.840 50 0 DJAARO Cc1cc([C@@H]2CCC[N@H+]2Cc2cn(C(C)C)c3ccccc23)on1 ZINC000035453891 563452664 /nfs/dbraw/zinc/45/26/64/563452664.db2.gz GEOYNXVGWFYJNT-IBGZPJMESA-N 1 0 323.440 4.856 50 0 DJAARO CCc1nc(-c2c(-c3ccccc3)ncn2C2CC=CC2)c(C)[nH]1 ZINC000067714601 563489434 /nfs/dbraw/zinc/48/94/34/563489434.db2.gz RPWGDGNDIMMKJS-UHFFFAOYSA-N 1 0 318.424 4.702 50 0 DJAARO Cc1c(Cl)cccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000000757098 563632209 /nfs/dbraw/zinc/63/22/09/563632209.db2.gz HKFFLEPJELUEEL-UHFFFAOYSA-N 1 0 314.860 4.725 50 0 DJAARO Fc1ccc([C@H](CC[NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC000001823529 563634398 /nfs/dbraw/zinc/63/43/98/563634398.db2.gz ABFRGZNCRBWADM-IBGZPJMESA-N 1 0 309.384 4.731 50 0 DJAARO COc1ccc(CC[C@H](C)[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000012383438 563652033 /nfs/dbraw/zinc/65/20/33/563652033.db2.gz WKMFTEHGKNWABE-HNNXBMFYSA-N 1 0 317.860 4.502 50 0 DJAARO CC(C)SCC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000225771544 563763175 /nfs/dbraw/zinc/76/31/75/563763175.db2.gz YKKSTMNUYKHMFB-ZDUSSCGKSA-N 1 0 309.372 4.550 50 0 DJAARO c1ccc(C2=NN(c3ccccc3)C[N+](c3ccccc3)=N2)cc1 ZINC000004531934 563809802 /nfs/dbraw/zinc/80/98/02/563809802.db2.gz XUTUWSCMRWGMTO-UHFFFAOYSA-N 1 0 313.384 4.622 50 0 DJAARO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccc(Cl)s1 ZINC000075093154 563859052 /nfs/dbraw/zinc/85/90/52/563859052.db2.gz RKKUPKDWKVHFGQ-NSHDSACASA-N 1 0 317.845 4.642 50 0 DJAARO CCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H]1CC ZINC000239174166 563879469 /nfs/dbraw/zinc/87/94/69/563879469.db2.gz PKBJXKBRDPQZEK-YSFYHYPLSA-N 1 0 323.480 5.020 50 0 DJAARO CCCC1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H]1C ZINC000239274822 563879644 /nfs/dbraw/zinc/87/96/44/563879644.db2.gz ASKDBXWNERMDNU-DEPWHIHDSA-N 1 0 323.480 4.876 50 0 DJAARO c1coc([C@@H](CC[NH2+]Cc2ccccc2)Cc2ccccc2)c1 ZINC000001812312 563881954 /nfs/dbraw/zinc/88/19/54/563881954.db2.gz IZFAYTPVDGJXAT-FQEVSTJZSA-N 1 0 305.421 4.786 50 0 DJAARO COc1ccc([C@@H](C)[NH2+][C@H]2COc3ccccc32)c2ccccc12 ZINC000089517232 563889514 /nfs/dbraw/zinc/88/95/14/563889514.db2.gz IZWASBMZWDKRCL-KUHUBIRLSA-N 1 0 319.404 4.633 50 0 DJAARO Clc1ccccc1C[N@H+](Cc1ccccn1)C1CCCC1 ZINC000064808375 563894033 /nfs/dbraw/zinc/89/40/33/563894033.db2.gz JJSWCAXULPMKQF-UHFFFAOYSA-N 1 0 300.833 4.680 50 0 DJAARO Cc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000036347929 563895545 /nfs/dbraw/zinc/89/55/45/563895545.db2.gz DTIYUDNKPQMFIK-QFIPXVFZSA-N 1 0 316.448 4.792 50 0 DJAARO c1csc(-c2cc(C[N@@H+]3CCC[C@@]4(CC=CCC4)C3)no2)c1 ZINC000170626885 563908786 /nfs/dbraw/zinc/90/87/86/563908786.db2.gz FKGITLWUKUNCEV-SFHVURJKSA-N 1 0 314.454 4.725 50 0 DJAARO CC(C)[N@H+](Cc1cccnc1)Cc1ccc(Cl)c(Cl)c1 ZINC000089869612 563911637 /nfs/dbraw/zinc/91/16/37/563911637.db2.gz ZKWWZOKRTHMDGK-UHFFFAOYSA-N 1 0 309.240 4.799 50 0 DJAARO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1cnoc1-c1ccco1 ZINC000089904637 563912148 /nfs/dbraw/zinc/91/21/48/563912148.db2.gz IQYQPQKARUPPNH-CYBMUJFWSA-N 1 0 322.364 4.874 50 0 DJAARO Cc1cc(Cl)cc(C)c1OCCCC[N@H+]1CCC[C@H](C)C1 ZINC000002823186 563913055 /nfs/dbraw/zinc/91/30/55/563913055.db2.gz JQTDKIIVIARNKU-AWEZNQCLSA-N 1 0 309.881 4.848 50 0 DJAARO Cc1ccc(Cl)c(OCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000002825266 563913097 /nfs/dbraw/zinc/91/30/97/563913097.db2.gz ZQEXXTHWIUDAAP-UHFFFAOYSA-N 1 0 303.833 4.549 50 0 DJAARO Cc1cc([C@H](C)[NH2+][C@H](CCCO)c2ccccc2)c(C)s1 ZINC000095423051 563931287 /nfs/dbraw/zinc/93/12/87/563931287.db2.gz YECHCDNQWMDJJP-KBXCAEBGSA-N 1 0 303.471 4.529 50 0 DJAARO Cc1cc([C@@H](C)[NH2+][C@@H](CCCO)c2ccccc2)c(C)s1 ZINC000095423048 563931348 /nfs/dbraw/zinc/93/13/48/563931348.db2.gz YECHCDNQWMDJJP-KDOFPFPSSA-N 1 0 303.471 4.529 50 0 DJAARO C[C@@H](N[C@H](c1ccccc1)C1CC1)c1occc1Br ZINC000095967200 563932850 /nfs/dbraw/zinc/93/28/50/563932850.db2.gz NARUBECAUNHION-IAQYHMDHSA-N 1 0 320.230 4.844 50 0 DJAARO C[C@@H]([NH2+]Cc1ccccc1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000096027542 563935182 /nfs/dbraw/zinc/93/51/82/563935182.db2.gz RMMPPIGYVZPWST-GCJKJVERSA-N 1 0 317.432 4.985 50 0 DJAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1ccc2ccccc2c1 ZINC000002470883 563938101 /nfs/dbraw/zinc/93/81/01/563938101.db2.gz QWXWNQKFHDHYQE-UHFFFAOYSA-N 1 0 300.405 4.653 50 0 biogenic DJAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCC(O)(c1ccccc1)c1ccccc1 ZINC000029551831 563941203 /nfs/dbraw/zinc/94/12/03/563941203.db2.gz YWUUDSJJYZRSQL-KDURUIRLSA-N 1 0 323.480 4.576 50 0 DJAARO Cc1ccc2c(c1)/C(=C\CC[NH+](C)C)c1ccccc1CS2 ZINC000038190892 563947009 /nfs/dbraw/zinc/94/70/09/563947009.db2.gz XWRKGMIKFODBDS-NVMNQCDNSA-N 1 0 309.478 4.984 50 0 DJAARO Cc1cc(C)c2c(c1)[nH]c(C)c(C[N@@H+](C)C1CCCCC1)c2=O ZINC000008717429 563950185 /nfs/dbraw/zinc/95/01/85/563950185.db2.gz HIGCSCPKKGSSSI-UHFFFAOYSA-N 1 0 312.457 4.630 50 0 DJAARO C[N@H+](Cc1ccccc1NC(=O)OC(C)(C)C)C1CCCCC1 ZINC000078574325 563961142 /nfs/dbraw/zinc/96/11/42/563961142.db2.gz UYUQTSYPHKMNFV-UHFFFAOYSA-N 1 0 318.461 4.798 50 0 DJAARO COc1ccc(C)cc1Oc1cccc(C[NH+]2CCCC2)c1F ZINC000067431683 568413503 /nfs/dbraw/zinc/41/35/03/568413503.db2.gz JJKXKHASOSZRCG-UHFFFAOYSA-N 1 0 315.388 4.531 50 0 DJAARO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000096999665 185395862 /nfs/dbraw/zinc/39/58/62/185395862.db2.gz IVVXBPUFRCZIRP-INIZCTEOSA-N 1 0 307.441 4.524 50 0 DJAARO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccncc2)c2ccccc12 ZINC000095419206 185359878 /nfs/dbraw/zinc/35/98/78/185359878.db2.gz NGJYDIVEKYFKEB-CABCVRRESA-N 1 0 306.409 4.655 50 0 DJAARO COc1ccsc1C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000095467761 185371984 /nfs/dbraw/zinc/37/19/84/185371984.db2.gz OQKMMAIUYOBIHU-UHFFFAOYSA-N 1 0 324.449 4.527 50 0 DJAARO CC(C)n1ccc(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)n1 ZINC000095462812 185371108 /nfs/dbraw/zinc/37/11/08/185371108.db2.gz NKQIYBVXWLQSJI-FQEVSTJZSA-N 1 0 311.473 4.875 50 0 DJAARO Cc1ccc([C@H]([NH2+][C@H](C)Cc2ccncc2)c2ccccc2)cc1 ZINC000097032859 185399855 /nfs/dbraw/zinc/39/98/55/185399855.db2.gz MWNSIEGCNOEALZ-XMSQKQJNSA-N 1 0 316.448 4.700 50 0 DJAARO CC(C)C/C=C(\C[NH+]1CC(c2ccncc2)C1)c1ccccc1 ZINC000072163657 191063873 /nfs/dbraw/zinc/06/38/73/191063873.db2.gz LYGMVKRPAQSKMQ-AWQFTUOYSA-N 1 0 306.453 4.611 50 0 DJAARO C[C@H](c1ccccc1[C@](O)(c1ccccc1)C(C)(C)C)[NH+](C)C ZINC000072437756 191166156 /nfs/dbraw/zinc/16/61/56/191166156.db2.gz JUYUTBYMCJGZKF-IIBYNOLFSA-N 1 0 311.469 4.591 50 0 DJAARO c1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000002380305 180921791 /nfs/dbraw/zinc/92/17/91/180921791.db2.gz UDWWEWUMDPELDN-UHFFFAOYSA-N 1 0 303.405 4.555 50 0 DJAARO Cc1ccc([C@@H](CC[NH2+]Cc2cccs2)c2ccco2)cc1 ZINC000002425934 180923219 /nfs/dbraw/zinc/92/32/19/180923219.db2.gz PCZSWDXDFJLGND-GOSISDBHSA-N 1 0 311.450 4.961 50 0 DJAARO CCn1c2ccccc2c2cc(C[NH2+]Cc3ccco3)ccc21 ZINC000002545035 180934010 /nfs/dbraw/zinc/93/40/10/180934010.db2.gz RSVPAVZHIJBNKS-UHFFFAOYSA-N 1 0 304.393 4.697 50 0 DJAARO CCC[NH+](CCC)CCOCCOc1ccccc1C(C)(C)C ZINC000002822455 180962023 /nfs/dbraw/zinc/96/20/23/180962023.db2.gz AETQWMZFSIKRDA-UHFFFAOYSA-N 1 0 321.505 4.502 50 0 DJAARO CC(C)[C@@]1(CC[NH2+]C/C=C/c2ccccc2)CCOC(C)(C)C1 ZINC000004085488 181071040 /nfs/dbraw/zinc/07/10/40/181071040.db2.gz RZZSOZXENAQHQI-MAIVGLDJSA-N 1 0 315.501 4.911 50 0 biogenic DJAARO CCCCCC[C@@](O)(CC[NH+]1CCCCC1)c1ccccc1 ZINC000004141797 181078423 /nfs/dbraw/zinc/07/84/23/181078423.db2.gz GNRNQSUTIFTFBA-HXUWFJFHSA-N 1 0 303.490 4.721 50 0 DJAARO C[C@@H](C[C@@H]1[NH2+]Cc2ccccc2-n2cccc21)c1ccccc1 ZINC000004188344 181083336 /nfs/dbraw/zinc/08/33/36/181083336.db2.gz VKQLZBAUQXLBJJ-LPHOPBHVSA-N 1 0 302.421 4.815 50 0 DJAARO Cc1ccc(C([NH3+])(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000004557447 181124532 /nfs/dbraw/zinc/12/45/32/181124532.db2.gz XWCAKECWGZSJKC-UHFFFAOYSA-N 1 0 301.433 4.862 50 0 DJAARO CCOc1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000004657417 181132895 /nfs/dbraw/zinc/13/28/95/181132895.db2.gz ROYGNXIAAJRYBG-UHFFFAOYSA-N 1 0 317.432 4.965 50 0 DJAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]Cc2cccnc2)o1 ZINC000004865911 181165318 /nfs/dbraw/zinc/16/53/18/181165318.db2.gz CRTCRDWZUFSHCB-UHFFFAOYSA-N 1 0 312.800 4.593 50 0 DJAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(C)O ZINC000004889099 181168819 /nfs/dbraw/zinc/16/88/19/181168819.db2.gz BRKDPSAOJQTDPB-IVAOSVALSA-N 1 0 309.453 4.630 50 0 DJAARO C[C@H]1C[C@H](C)C[NH+](CCOc2ccccc2-c2ccccc2)C1 ZINC000004906405 181171747 /nfs/dbraw/zinc/17/17/47/181171747.db2.gz PIIJMQPDMDUIKD-ROUUACIJSA-N 1 0 309.453 4.710 50 0 DJAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]Cc2ccncc2)o1 ZINC000004942925 181176853 /nfs/dbraw/zinc/17/68/53/181176853.db2.gz XNPLKCSYMPCJIE-UHFFFAOYSA-N 1 0 312.800 4.593 50 0 DJAARO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000004989540 181185952 /nfs/dbraw/zinc/18/59/52/181185952.db2.gz KTPDRCHSIMMQGG-HRAATJIYSA-N 1 0 309.453 4.684 50 0 DJAARO CCCCOc1ccc2ncc(-c3ccc(Cl)cc3)n2c1 ZINC000005351159 181232833 /nfs/dbraw/zinc/23/28/33/181232833.db2.gz XFVXJORLENSGAN-UHFFFAOYSA-N 1 0 300.789 4.834 50 0 DJAARO c1c(-c2ccccc2)n2c3[n+]1CC(c1ccccc1)=C3CCCC2 ZINC000005444456 181243874 /nfs/dbraw/zinc/24/38/74/181243874.db2.gz OUOUJBZKZPHURQ-UHFFFAOYSA-N 1 0 313.424 4.551 50 0 DJAARO CCCc1[nH+]c2c(c3[nH]c4ccccc4c31)[C@@H](O)CC(C)(C)C2 ZINC000005904211 181294894 /nfs/dbraw/zinc/29/48/94/181294894.db2.gz GAXQYQOOCOXVFU-INIZCTEOSA-N 1 0 308.425 4.674 50 0 biogenic DJAARO Fc1cccc(Cl)c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006474877 181343244 /nfs/dbraw/zinc/34/32/44/181343244.db2.gz OIJBJQUJUYLFMM-UHFFFAOYSA-N 1 0 317.835 4.934 50 0 DJAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@]1(C)O ZINC000245231339 202513063 /nfs/dbraw/zinc/51/30/63/202513063.db2.gz BRKDPSAOJQTDPB-ANULTFPQSA-N 1 0 309.453 4.630 50 0 DJAARO CC(C)[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1nc2ccccc2[nH]1 ZINC000006651126 181365072 /nfs/dbraw/zinc/36/50/72/181365072.db2.gz VJVNDOAGIFJCSK-LEWGMDFTSA-N 1 0 323.484 4.674 50 0 DJAARO CC[N@@H+]1Cc2cccc(CNc3ccc(C)c(Cl)c3)c2C1 ZINC000006809081 181392634 /nfs/dbraw/zinc/39/26/34/181392634.db2.gz RLNWTXKJIJNEDX-UHFFFAOYSA-N 1 0 300.833 4.596 50 0 DJAARO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccccc1N(C)C ZINC000093942099 193331474 /nfs/dbraw/zinc/33/14/74/193331474.db2.gz TZOFYFSVUFMJTO-IYXRBSQSSA-N 1 0 314.395 4.524 50 0 DJAARO Cc1cc2c(cc1C)C(N[C@H](C)c1ccccc1)=[NH+]C(C)(C)C2 ZINC000009341781 181615958 /nfs/dbraw/zinc/61/59/58/181615958.db2.gz UFKANZGUUNBABG-MRXNPFEDSA-N 1 0 306.453 4.736 50 0 DJAARO c1ccc(CCCC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000015442100 182002463 /nfs/dbraw/zinc/00/24/63/182002463.db2.gz VDCMTFSBUCQGOJ-UHFFFAOYSA-N 1 0 307.481 4.964 50 0 DJAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(SC)cc1 ZINC000015866940 182023008 /nfs/dbraw/zinc/02/30/08/182023008.db2.gz LQOQORTUXPHQSN-MRXNPFEDSA-N 1 0 316.470 4.604 50 0 DJAARO C[C@]12C[C@H](CC(C)(C)C1)[N@H+](CN1C[C@]3(C)C[C@H]1CC(C)(C)C3)C2 ZINC000019320122 182114807 /nfs/dbraw/zinc/11/48/07/182114807.db2.gz ZZXYJYCEOKXSBN-ALFLXDJESA-N 1 0 318.549 4.745 50 0 biogenic DJAARO CC[C@](O)(c1ccccc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000020868838 182250797 /nfs/dbraw/zinc/25/07/97/182250797.db2.gz BPHKQTGRJWZBDM-VXKWHMMOSA-N 1 0 323.480 4.554 50 0 DJAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000021720863 182286368 /nfs/dbraw/zinc/28/63/68/182286368.db2.gz PPSNLYNYILPVQL-HNNXBMFYSA-N 1 0 304.821 4.536 50 0 DJAARO Cc1[nH+]c(/C=C/c2nc3cc(C)ccc3s2)c2ccccn12 ZINC000026550515 182445894 /nfs/dbraw/zinc/44/58/94/182445894.db2.gz LXOUTUUCJUVOES-VQHVLOKHSA-N 1 0 305.406 4.731 50 0 DJAARO C[NH2+]Cc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1 ZINC000040380450 183058338 /nfs/dbraw/zinc/05/83/38/183058338.db2.gz CPLHAFLWFOQFKD-UHFFFAOYSA-N 1 0 300.160 4.644 50 0 DJAARO CC(C)(C)CC(C)(C)c1ccc(OCC2CC[NH2+]CC2)cc1 ZINC000042782870 183309422 /nfs/dbraw/zinc/30/94/22/183309422.db2.gz GYBUSOUAKDZULX-UHFFFAOYSA-N 1 0 303.490 4.779 50 0 DJAARO CCc1oc2ccccc2c1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000058473847 184119769 /nfs/dbraw/zinc/11/97/69/184119769.db2.gz CRTWJJSCMYSZRE-UHFFFAOYSA-N 1 0 304.393 4.766 50 0 DJAARO CC[N@H+](Cc1nc2ccccc2n1C(F)F)C1CCCCC1 ZINC000059037347 184133893 /nfs/dbraw/zinc/13/38/93/184133893.db2.gz YIIFLVGMMGHCTQ-UHFFFAOYSA-N 1 0 307.388 4.586 50 0 DJAARO CC(=O)c1c(C)cc(C)c(C[NH2+]C2(c3ccccc3)CCC2)c1C ZINC000064343703 184294783 /nfs/dbraw/zinc/29/47/83/184294783.db2.gz MPTOUXZPZXVJSZ-UHFFFAOYSA-N 1 0 321.464 4.983 50 0 DJAARO Cc1ccc(C)c(N2CC[NH+](C3CCCCCCC3)CC2)c1 ZINC000001229421 134443078 /nfs/dbraw/zinc/44/30/78/134443078.db2.gz BUTXJLQCUNVNHX-UHFFFAOYSA-N 1 0 300.490 4.538 50 0 DJAARO COc1ccccc1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000004346419 331486072 /nfs/dbraw/zinc/48/60/72/331486072.db2.gz DHHVJOSDBVBONF-UHFFFAOYSA-N 1 0 303.405 4.574 50 0 DJAARO c1ccc(Oc2cccc(OCC[NH+]3CCCCCC3)c2)cc1 ZINC000000471982 563260611 /nfs/dbraw/zinc/26/06/11/563260611.db2.gz QHKWQJPHUOSACH-UHFFFAOYSA-N 1 0 311.425 4.734 50 0 DJAARO Cc1cccc(C)c1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000002514513 563305170 /nfs/dbraw/zinc/30/51/70/563305170.db2.gz HZRLBOBNPFLPQO-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO O=C(c1ccccc1Cl)c1ccccc1C[NH+]1CCCCC1 ZINC000002515517 563305797 /nfs/dbraw/zinc/30/57/97/563305797.db2.gz SRQUZDJJZGWTRP-UHFFFAOYSA-N 1 0 313.828 4.557 50 0 DJAARO Cc1ccc(OCCCC[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)c1 ZINC000002845419 563314863 /nfs/dbraw/zinc/31/48/63/563314863.db2.gz JFVXGMCWCRFNIA-NZSAHSFTSA-N 1 0 303.490 4.877 50 0 DJAARO CCCC[NH2+]CCCCCOc1ccc(Cl)cc1Cl ZINC000002898688 563317654 /nfs/dbraw/zinc/31/76/54/563317654.db2.gz ABSGBWBKWSDDFT-UHFFFAOYSA-N 1 0 304.261 4.932 50 0 DJAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]CCc2cccc(F)c2)o1 ZINC000002928667 563317923 /nfs/dbraw/zinc/31/79/23/563317923.db2.gz UHIHTYFLLFIMGT-AWEZNQCLSA-N 1 0 303.421 4.616 50 0 DJAARO CC1CC[NH+](CCCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000002953998 563318166 /nfs/dbraw/zinc/31/81/66/563318166.db2.gz ZSDFFIMGQOOYQT-UHFFFAOYSA-N 1 0 303.490 4.875 50 0 DJAARO CCOC(=O)c1cccc(Nc2cc(C)[nH+]c3ccc(C)cc23)c1 ZINC000006570126 563332906 /nfs/dbraw/zinc/33/29/06/563332906.db2.gz SDGWIGYOAPZDKD-UHFFFAOYSA-N 1 0 320.392 4.772 50 0 DJAARO CCc1ccc2[nH]c(C)c(C[N@H+]3CCCC[C@@H]3CC)c(=O)c2c1 ZINC000008714148 563349204 /nfs/dbraw/zinc/34/92/04/563349204.db2.gz UTOOHWPQRGUXJH-INIZCTEOSA-N 1 0 312.457 4.576 50 0 DJAARO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CCC(C)C)C2)cc1 ZINC000012055383 563360840 /nfs/dbraw/zinc/36/08/40/563360840.db2.gz WJEDWCAIPBQFDP-GOSISDBHSA-N 1 0 311.473 4.611 50 0 DJAARO Cc1c([C@@H](C)[NH2+]C2CCCC2)cnn1-c1cccc2ccccc21 ZINC000012588050 563371803 /nfs/dbraw/zinc/37/18/03/563371803.db2.gz ZKGWVTXKIKRAGA-OAHLLOKOSA-N 1 0 319.452 4.927 50 0 DJAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCCC[C@H]1C ZINC000012710826 563373380 /nfs/dbraw/zinc/37/33/80/563373380.db2.gz QKIMNFRQKCNNCJ-GFCCVEGCSA-N 1 0 304.821 4.678 50 0 DJAARO Cc1cc(C)c2cc(C[NH2+]Cc3cccs3)c(Cl)nc2c1 ZINC000013535352 563382594 /nfs/dbraw/zinc/38/25/94/563382594.db2.gz IZPZECSNVCMTOL-UHFFFAOYSA-N 1 0 316.857 4.856 50 0 DJAARO Clc1ccc(OC[C@@H]2CCC[NH2+]C2)c(C2CCCCC2)c1 ZINC000014631345 563402130 /nfs/dbraw/zinc/40/21/30/563402130.db2.gz LPDIUGVWDOMBKM-CQSZACIVSA-N 1 0 307.865 4.766 50 0 DJAARO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015074947 563406963 /nfs/dbraw/zinc/40/69/63/563406963.db2.gz DBZMDKLQSGLMBX-HNNXBMFYSA-N 1 0 305.849 4.567 50 0 DJAARO c1c2ccccc2oc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000015064728 563407036 /nfs/dbraw/zinc/40/70/36/563407036.db2.gz ORWURHFQLZYQEM-SFHVURJKSA-N 1 0 306.409 4.509 50 0 DJAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828202 563436338 /nfs/dbraw/zinc/43/63/38/563436338.db2.gz FRUAPJDRGWPPIT-QGZVFWFLSA-N 1 0 306.409 4.516 50 0 DJAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000030640366 563437736 /nfs/dbraw/zinc/43/77/36/563437736.db2.gz JDLHZAVSBWZARL-ZDUSSCGKSA-N 1 0 316.832 4.539 50 0 DJAARO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1O ZINC000033087149 563443830 /nfs/dbraw/zinc/44/38/30/563443830.db2.gz DKVDGSWGZILXQT-HNNXBMFYSA-N 1 0 317.454 4.580 50 0 DJAARO CCSCCC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000072304828 563443864 /nfs/dbraw/zinc/44/38/64/563443864.db2.gz UDOQKNZPZVKGIN-INIZCTEOSA-N 1 0 323.552 4.900 50 0 DJAARO CC(C)C[C@@H]([NH3+])P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000033414782 563445631 /nfs/dbraw/zinc/44/56/31/563445631.db2.gz KBDLEVJSRJXEGL-KRWDZBQOSA-N 1 0 319.341 4.668 50 0 DJAARO Clc1cccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1Cl ZINC000022018223 563448984 /nfs/dbraw/zinc/44/89/84/563448984.db2.gz YQGQLSMTSFGAES-INIZCTEOSA-N 1 0 317.219 4.710 50 0 DJAARO Cc1cc([C@H]2CCC[N@H+]2Cc2cn(C(C)C)c3ccccc23)on1 ZINC000035453894 563452860 /nfs/dbraw/zinc/45/28/60/563452860.db2.gz GEOYNXVGWFYJNT-LJQANCHMSA-N 1 0 323.440 4.856 50 0 DJAARO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000096477609 563484394 /nfs/dbraw/zinc/48/43/94/563484394.db2.gz XGKQASYLZGUTHH-MWLCHTKSSA-N 1 0 307.463 4.592 50 0 DJAARO CC[NH+](CC)CCOC1(c2ccc(Cl)cc2)CCCCC1 ZINC000000001185 563497278 /nfs/dbraw/zinc/49/72/78/563497278.db2.gz FFCARBNHUSWRGK-UHFFFAOYSA-N 1 0 309.881 4.858 50 0 in-man DJAARO COc1ccc(/C=C/C2=[NH+]c3ccccc3C2(C)C)cc1OC ZINC000011667594 563563323 /nfs/dbraw/zinc/56/33/23/563563323.db2.gz HFUQEVGAUVOLDS-ZRDIBKRKSA-N 1 0 307.393 4.781 50 0 DJAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]Cc1ccc(F)cc1 ZINC000000287019 563585248 /nfs/dbraw/zinc/58/52/48/563585248.db2.gz PSRWWQVARJZAIO-IBGZPJMESA-N 1 0 308.400 4.783 50 0 DJAARO CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000007262349 563639576 /nfs/dbraw/zinc/63/95/76/563639576.db2.gz NBIRKALBVNYOFQ-UHFFFAOYSA-N 1 0 307.796 4.558 50 0 DJAARO CCC[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000107347872 563683334 /nfs/dbraw/zinc/68/33/34/563683334.db2.gz SXSWLKUQIYJNSH-KGLIPLIRSA-N 1 0 319.474 4.761 50 0 DJAARO CN(Cc1csc(-c2ccccc2)n1)Cc1cccs1 ZINC000048812159 563700161 /nfs/dbraw/zinc/70/01/61/563700161.db2.gz HTVBBVXPTNSBGP-UHFFFAOYSA-N 1 0 300.452 4.504 50 0 DJAARO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccccc1OC1CCCC1 ZINC000215220431 563704807 /nfs/dbraw/zinc/70/48/07/563704807.db2.gz WHJJFUCBZSZRMY-INIZCTEOSA-N 1 0 310.441 4.596 50 0 DJAARO Oc1ccc(CC[C@H]2CCCC[N@@H+]2Cc2ccc(Cl)o2)cc1 ZINC000215537571 563706383 /nfs/dbraw/zinc/70/63/83/563706383.db2.gz DVMJIVWXYKKJDL-OAHLLOKOSA-N 1 0 319.832 4.626 50 0 DJAARO COC1CC[NH+](Cc2ccc(-c3ccc(C)c(Cl)c3)o2)CC1 ZINC000216234937 563708075 /nfs/dbraw/zinc/70/80/75/563708075.db2.gz QVOHSDNQMKBPHQ-UHFFFAOYSA-N 1 0 319.832 4.519 50 0 DJAARO Cc1ccsc1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000084257559 563825677 /nfs/dbraw/zinc/82/56/77/563825677.db2.gz DHHOPRRFRATNPR-UHFFFAOYSA-N 1 0 301.455 4.668 50 0 DJAARO Clc1ccc(-c2cnc(C[N@H+](C3CC3)C3CCCC3)o2)cc1 ZINC000084419624 563826096 /nfs/dbraw/zinc/82/60/96/563826096.db2.gz TUYBKDJPQGIEOV-UHFFFAOYSA-N 1 0 316.832 4.902 50 0 DJAARO Fc1cc2cccnc2c(C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000084525559 563827545 /nfs/dbraw/zinc/82/75/45/563827545.db2.gz OXGAIEHEODTTDQ-UHFFFAOYSA-N 1 0 320.411 4.754 50 0 DJAARO CCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H]1CC ZINC000239174165 563879515 /nfs/dbraw/zinc/87/95/15/563879515.db2.gz PKBJXKBRDPQZEK-CZYKHXBRSA-N 1 0 323.480 5.020 50 0 DJAARO C[C@H](C(=O)c1c[nH]c2ccccc21)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000241121843 563880369 /nfs/dbraw/zinc/88/03/69/563880369.db2.gz JEFSJEFTKOZECG-DYVFJYSZSA-N 1 0 324.449 4.638 50 0 DJAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)c1ccccc1 ZINC000036098912 563893682 /nfs/dbraw/zinc/89/36/82/563893682.db2.gz JYMONHZDXRAYTG-NQIIRXRSSA-N 1 0 311.469 4.638 50 0 DJAARO CC[C@@H](C)[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)c1ccccc1 ZINC000169677475 563894821 /nfs/dbraw/zinc/89/48/21/563894821.db2.gz AFYIHOFGMUCEOO-WIYYLYMNSA-N 1 0 311.469 4.638 50 0 DJAARO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1nc2ccccc2[nH]1 ZINC000170040490 563902902 /nfs/dbraw/zinc/90/29/02/563902902.db2.gz WGEABDDEHXFRGT-SCLBCKFNSA-N 1 0 311.404 4.750 50 0 DJAARO Cc1nccn1CCC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000089735666 563911196 /nfs/dbraw/zinc/91/11/96/563911196.db2.gz WVSKYXRVENMGQG-OAQYLSRUSA-N 1 0 319.452 4.572 50 0 DJAARO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1c(C)cccc1C)CCC2 ZINC000170634517 563912851 /nfs/dbraw/zinc/91/28/51/563912851.db2.gz SARXTYXHKPCZJP-KRWDZBQOSA-N 1 0 300.471 4.578 50 0 DJAARO Cc1cc(OCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1Cl ZINC000002825180 563913111 /nfs/dbraw/zinc/91/31/11/563913111.db2.gz RZVBGYDXLDYFIA-GJZGRUSLSA-N 1 0 309.881 4.785 50 0 DJAARO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(C)ccc2C)s1 ZINC000170639772 563913852 /nfs/dbraw/zinc/91/38/52/563913852.db2.gz LIIDMLYBIIMQRY-HNNXBMFYSA-N 1 0 302.487 4.824 50 0 DJAARO C[NH+](C)C1(CC(O)(c2ccccc2)c2ccccc2)CCCCC1 ZINC000003080594 563915788 /nfs/dbraw/zinc/91/57/88/563915788.db2.gz UMJUDHDBWOVPGH-UHFFFAOYSA-N 1 0 323.480 4.577 50 0 DJAARO C[C@@H]1CCCC[N@@H+]1Cc1cncc(-c2ccc(Cl)cc2)c1 ZINC000037553889 563918650 /nfs/dbraw/zinc/91/86/50/563918650.db2.gz OMGNATHLMZGOQC-CQSZACIVSA-N 1 0 300.833 4.776 50 0 DJAARO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000008748453 563950354 /nfs/dbraw/zinc/95/03/54/563950354.db2.gz FKBGYSYRUFPCJH-QGZVFWFLSA-N 1 0 324.468 4.577 50 0 DJAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccsc1 ZINC000095420541 185360134 /nfs/dbraw/zinc/36/01/34/185360134.db2.gz JHASWZPELPRGKM-OAHLLOKOSA-N 1 0 324.449 4.573 50 0 DJAARO CC[C@@H]([NH2+][C@H](C)c1ccc(SC)c(OC)c1)c1ccncc1 ZINC000097017089 185397427 /nfs/dbraw/zinc/39/74/27/185397427.db2.gz PFEMNITWXBJBMZ-CZUORRHYSA-N 1 0 316.470 4.614 50 0 DJAARO Cc1ccc([C@H]([NH2+][C@@H](C)Cc2ccncc2)c2ccccc2)cc1 ZINC000097032857 185399780 /nfs/dbraw/zinc/39/97/80/185399780.db2.gz MWNSIEGCNOEALZ-PGRDOPGGSA-N 1 0 316.448 4.700 50 0 DJAARO c1csc(-c2cc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)no2)c1 ZINC000057590570 190687247 /nfs/dbraw/zinc/68/72/47/190687247.db2.gz ZCRCKCFAYICQFN-HIFRSBDPSA-N 1 0 302.443 4.558 50 0 DJAARO Cc1cc(NCc2ccc(-c3nc4ccccc4s3)o2)cc[nH+]1 ZINC000170599603 197783765 /nfs/dbraw/zinc/78/37/65/197783765.db2.gz IEWFKLCJZAGUNY-UHFFFAOYSA-N 1 0 321.405 4.872 50 0 DJAARO C[NH+](C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 ZINC000000020248 180669739 /nfs/dbraw/zinc/66/97/39/180669739.db2.gz GDLIGKIOYRNHDA-UHFFFAOYSA-N 1 0 314.860 4.528 50 0 fda DJAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1cccc2ccccc21 ZINC000002063832 180908973 /nfs/dbraw/zinc/90/89/73/180908973.db2.gz QQVNTWMFLPUYMF-UHFFFAOYSA-N 1 0 300.405 4.653 50 0 biogenic DJAARO Fc1ccc([C@@H](CC[NH2+]Cc2cccs2)c2ccco2)cc1 ZINC000002436490 180923668 /nfs/dbraw/zinc/92/36/68/180923668.db2.gz OTEYWWXSVWLODG-QGZVFWFLSA-N 1 0 315.413 4.792 50 0 DJAARO COc1ccc(Nc2cc(C)[nH+]c3c(C)cccc23)c(OC)c1 ZINC000003953659 181058707 /nfs/dbraw/zinc/05/87/07/181058707.db2.gz FERBQJVRPHTIHD-UHFFFAOYSA-N 1 0 308.381 4.612 50 0 DJAARO Cc1ccccc1[C@H]1c2ccccc2SC12CC[NH+](C)CC2 ZINC000004146676 181079221 /nfs/dbraw/zinc/07/92/21/181079221.db2.gz DLMCNNSJUBHHEO-IBGZPJMESA-N 1 0 309.478 4.697 50 0 DJAARO COc1ccc(-c2cc(N3CCCCC3)c3ccccc3[nH+]2)cc1 ZINC000004542555 181122506 /nfs/dbraw/zinc/12/25/06/181122506.db2.gz RWMXNFVPXADWCF-UHFFFAOYSA-N 1 0 318.420 4.901 50 0 DJAARO CC(C)c1ccc(CNc2[nH+]cc(-c3ccc(F)cc3)n2C)cc1 ZINC000004678475 181135150 /nfs/dbraw/zinc/13/51/50/181135150.db2.gz NRDOBFNCFFSKJG-UHFFFAOYSA-N 1 0 323.415 4.962 50 0 DJAARO Cc1ccc(-c2c[nH+]c(NCc3cccc(Cl)c3)n2C)cc1 ZINC000004678614 181135833 /nfs/dbraw/zinc/13/58/33/181135833.db2.gz VWDKAJNGLPWRTJ-UHFFFAOYSA-N 1 0 311.816 4.661 50 0 DJAARO COc1ccc2ccccc2c1C[NH2+][C@H](C)CCc1ccccc1 ZINC000004695067 181137497 /nfs/dbraw/zinc/13/74/97/181137497.db2.gz NXJHVBQTAWEKDP-QGZVFWFLSA-N 1 0 319.448 4.959 50 0 DJAARO Fc1ccc(C[NH+]2CCC(Nc3ccccc3Cl)CC2)cc1 ZINC000004817067 181155909 /nfs/dbraw/zinc/15/59/09/181155909.db2.gz PHLAFQBDKKSPAY-UHFFFAOYSA-N 1 0 318.823 4.556 50 0 DJAARO COc1ccc(C)cc1Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000004923612 181173687 /nfs/dbraw/zinc/17/36/87/181173687.db2.gz GOQCYAVABDHTNR-UHFFFAOYSA-N 1 0 304.393 4.784 50 0 DJAARO CC/C(=C/c1sc2ccc3ccccc3c2[n+]1C)SC ZINC000004948322 181178300 /nfs/dbraw/zinc/17/83/00/181178300.db2.gz CZUAHBDECDYCBF-QBFSEMIESA-N 1 0 300.472 4.993 50 0 DJAARO c1csc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)c1 ZINC000005064393 181199671 /nfs/dbraw/zinc/19/96/71/181199671.db2.gz OSNYREWASKNTHY-UHFFFAOYSA-N 1 0 309.434 4.617 50 0 DJAARO Cc1ccccc1[C@@]1(CC[NH+]2CCCCC2)CCOC(C)(C)C1 ZINC000005323942 181229798 /nfs/dbraw/zinc/22/97/98/181229798.db2.gz KAZIDGJQPDRPEV-NRFANRHFSA-N 1 0 315.501 4.698 50 0 DJAARO C[C@H](c1ccc(F)cc1)N(C)Cc1csc(-c2ccoc2)n1 ZINC000170983665 335008348 /nfs/dbraw/zinc/00/83/48/335008348.db2.gz BGYDSXCXTHNFJR-GFCCVEGCSA-N 1 0 316.401 4.735 50 0 DJAARO CCC1(CC)O[C@](CCC[NH2+]C)(c2ccccc2)c2ccccc21 ZINC000095918209 193449320 /nfs/dbraw/zinc/44/93/20/193449320.db2.gz YQWNJDDKZBFFJW-JOCHJYFZSA-N 1 0 323.480 4.975 50 0 DJAARO Cc1c2c(c(C)n1-c1ccccc1)[C@]1(CCCC[C@@H]1C)[NH2+]CC2 ZINC000015525257 182005598 /nfs/dbraw/zinc/00/55/98/182005598.db2.gz VPMXRBXAQBXEOI-YCRPNKLZSA-N 1 0 308.469 4.645 50 0 DJAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC000015836957 182020332 /nfs/dbraw/zinc/02/03/32/182020332.db2.gz QBXMENDOXLTXGU-GOSISDBHSA-N 1 0 301.817 4.686 50 0 DJAARO c1ccc(CC[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000019809560 182152948 /nfs/dbraw/zinc/15/29/48/182152948.db2.gz UQEIFYRRSNJVDO-UHFFFAOYSA-N 1 0 301.433 4.932 50 0 DJAARO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)[C@H](O)c1ccccc1 ZINC000019872174 182159303 /nfs/dbraw/zinc/15/93/03/182159303.db2.gz NATUZEAPAOKDTI-VGSWGCGISA-N 1 0 317.432 4.565 50 0 DJAARO Clc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(Cl)c1 ZINC000020111994 182188306 /nfs/dbraw/zinc/18/83/06/182188306.db2.gz KVXJJHFLOAFTDX-MRXNPFEDSA-N 1 0 317.219 4.710 50 0 biogenic DJAARO Brc1csc(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000020306055 182204984 /nfs/dbraw/zinc/20/49/84/182204984.db2.gz OWEIENIRYIYPDE-HNNXBMFYSA-N 1 0 322.271 4.678 50 0 DJAARO C[C@H](CCc1ccccc1)[NH2+]Cc1cc(Br)cs1 ZINC000020306042 182205093 /nfs/dbraw/zinc/20/50/93/182205093.db2.gz ZIXLSTFXBPTHIQ-GFCCVEGCSA-N 1 0 324.287 4.622 50 0 DJAARO CC[C@@](O)(c1ccccc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000020868847 182250832 /nfs/dbraw/zinc/25/08/32/182250832.db2.gz BPHKQTGRJWZBDM-FGZHOGPDSA-N 1 0 323.480 4.554 50 0 DJAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000021720972 182286634 /nfs/dbraw/zinc/28/66/34/182286634.db2.gz WQFILYHPRQVSNA-HNNXBMFYSA-N 1 0 304.821 4.536 50 0 DJAARO COc1ccc(C[NH2+][C@H](C)c2cccc3ccccc32)cc1OC ZINC000022787599 182335031 /nfs/dbraw/zinc/33/50/31/182335031.db2.gz MMWSATIVNJFMNB-OAHLLOKOSA-N 1 0 321.420 4.708 50 0 DJAARO COc1ccc(C[NH2+][C@H](C)c2cccc3ccccc32)c(OC)c1 ZINC000022787539 182335273 /nfs/dbraw/zinc/33/52/73/182335273.db2.gz PNYXMFBAZQFVCE-OAHLLOKOSA-N 1 0 321.420 4.708 50 0 DJAARO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccccc1C(F)(F)F ZINC000023280722 182355599 /nfs/dbraw/zinc/35/55/99/182355599.db2.gz HTRHWLYRWHGBTM-CYBMUJFWSA-N 1 0 323.358 4.522 50 0 DJAARO C[N@H+](Cc1ncc(-c2ccccc2)o1)[C@@H]1CCCc2ccccc21 ZINC000023053732 182346168 /nfs/dbraw/zinc/34/61/68/182346168.db2.gz IMADOXKAJJEDAT-LJQANCHMSA-N 1 0 318.420 4.851 50 0 DJAARO C[NH+](C)CCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000039369626 183017301 /nfs/dbraw/zinc/01/73/01/183017301.db2.gz VTZHFVOBHLZDPR-UHFFFAOYSA-N 1 0 324.449 4.662 50 0 DJAARO Cc1ccccc1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000040119464 183037978 /nfs/dbraw/zinc/03/79/78/183037978.db2.gz CTWACDMFEJYJTL-QGZVFWFLSA-N 1 0 322.452 4.622 50 0 DJAARO Cc1cc(OCC[C@H]2CCCC[NH2+]2)c(Cl)c(C)c1Cl ZINC000042773714 183307158 /nfs/dbraw/zinc/30/71/58/183307158.db2.gz TVVYRRSMFJGQSA-GFCCVEGCSA-N 1 0 302.245 4.521 50 0 DJAARO c1nc(C[N@@H+](CC2CC2)C2CCCCC2)oc1-c1ccccc1 ZINC000060563746 184152457 /nfs/dbraw/zinc/15/24/57/184152457.db2.gz UPOWHIQBHJQNLZ-UHFFFAOYSA-N 1 0 310.441 4.886 50 0 DJAARO CCC[C@@H]1[C@H](O)C[C@@H](c2ccccc2)[NH+](C)[C@H]1c1ccccc1 ZINC000253488099 257214947 /nfs/dbraw/zinc/21/49/47/257214947.db2.gz WYTPYNYFQAORGV-MHTWAQMVSA-N 1 0 309.453 4.582 50 0 DJAARO CSCc1ccc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)nc1 ZINC000426503723 257248146 /nfs/dbraw/zinc/24/81/46/257248146.db2.gz VWWJSRATTPPEDM-HNNXBMFYSA-N 1 0 312.482 4.768 50 0 DJAARO CC(C)([NH2+]Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000408514410 257255998 /nfs/dbraw/zinc/25/59/98/257255998.db2.gz FELHASZXUDCBAR-UHFFFAOYSA-N 1 0 309.331 4.610 50 0 DJAARO COc1ccc2cc(C[NH2+]Cc3ccc4[nH]ccc4c3)ccc2c1 ZINC000328595682 533331368 /nfs/dbraw/zinc/33/13/68/533331368.db2.gz AKDRJXTXAHCYJX-UHFFFAOYSA-N 1 0 316.404 4.620 50 0 DJAARO CC(C)c1ncc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)s1 ZINC000095965334 563932715 /nfs/dbraw/zinc/93/27/15/563932715.db2.gz DXAJAMLFQTWQQS-UHFFFAOYSA-N 1 0 308.878 4.945 50 0 DJAARO C[NH+](C)CCCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000044027 563211748 /nfs/dbraw/zinc/21/17/48/563211748.db2.gz ZPEIMTDSQAKGNT-UHFFFAOYSA-N 1 0 318.873 4.894 50 0 aggregator,fda DJAARO COC(=O)c1cccc(Nc2cc(C)[nH+]c3c(C)cc(C)cc23)c1 ZINC000000071959 563213441 /nfs/dbraw/zinc/21/34/41/563213441.db2.gz PWPNXHIHCAUBOK-UHFFFAOYSA-N 1 0 320.392 4.690 50 0 DJAARO Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)[NH+]1CCC(C)CC1 ZINC000000075332 563213888 /nfs/dbraw/zinc/21/38/88/563213888.db2.gz RZDXRUNALPTURU-NRFANRHFSA-N 1 0 319.452 4.693 50 0 DJAARO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1cccs1 ZINC000000211335 563230809 /nfs/dbraw/zinc/23/08/09/563230809.db2.gz UDHJTGGOIVVLSX-UHFFFAOYSA-N 1 0 309.862 4.869 50 0 DJAARO Clc1ccc(-[n+]2c(-c3ccccc3)cn3c2CCCCC3)cc1 ZINC000000392202 563249981 /nfs/dbraw/zinc/24/99/81/563249981.db2.gz UQKHIFDUNPYWBJ-UHFFFAOYSA-N 1 0 323.847 4.812 50 0 DJAARO C[NH+](C)CCS[C@H](c1ccccc1)c1ccccc1Cl ZINC000096026367 563271921 /nfs/dbraw/zinc/27/19/21/563271921.db2.gz HWRTXUTWYRPEBE-QGZVFWFLSA-N 1 0 305.874 4.724 50 0 DJAARO c1csc(SC2=CC[N@H+](CCc3ccccc3)CC2)c1 ZINC000096028002 563295281 /nfs/dbraw/zinc/29/52/81/563295281.db2.gz VQYDQGFHPNPYJK-UHFFFAOYSA-N 1 0 301.480 4.673 50 0 DJAARO O=C(c1ccc(Cl)cc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000002515008 563305163 /nfs/dbraw/zinc/30/51/63/563305163.db2.gz ZICWFENNPJCCNZ-UHFFFAOYSA-N 1 0 313.828 4.557 50 0 DJAARO Cc1ccc(C(=O)c2cccc(C[NH+]3CCCCC3)c2)c(C)c1 ZINC000002515012 563305365 /nfs/dbraw/zinc/30/53/65/563305365.db2.gz ZWRTVJCWQVGIBS-UHFFFAOYSA-N 1 0 307.437 4.520 50 0 DJAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000002514506 563305461 /nfs/dbraw/zinc/30/54/61/563305461.db2.gz MWWZJUMHBYIWPM-UHFFFAOYSA-N 1 0 313.828 4.557 50 0 DJAARO Cc1cc(C)c(N2C=[N+](c3c(C)cc(C)cc3C)CC2)c(C)c1 ZINC000002584039 563310517 /nfs/dbraw/zinc/31/05/17/563310517.db2.gz GONBKFIOUGPBTG-UHFFFAOYSA-N 1 0 307.461 4.730 50 0 DJAARO CCCC[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1OC ZINC000002893843 563317432 /nfs/dbraw/zinc/31/74/32/563317432.db2.gz UIYCCPZJIGGKJF-UHFFFAOYSA-N 1 0 313.441 4.506 50 0 DJAARO C[C@@H]1CCC[C@H]([NH2+]CCCCOc2ccc(Cl)cc2)[C@@H]1C ZINC000005013574 563329089 /nfs/dbraw/zinc/32/90/89/563329089.db2.gz HQFVREARNLXVII-RKVPGOIHSA-N 1 0 309.881 4.913 50 0 DJAARO Cc1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000010335432 563356219 /nfs/dbraw/zinc/35/62/19/563356219.db2.gz FEIKTXYSNZXKHM-UHFFFAOYSA-N 1 0 322.452 4.542 50 0 DJAARO c1[nH]nc([C@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)c1-c1ccccc1 ZINC000012244824 563365730 /nfs/dbraw/zinc/36/57/30/563365730.db2.gz AEDTYTAUJPFSKJ-HKUYNNGSSA-N 1 0 321.468 4.612 50 0 DJAARO CC1(C)CC(Nc2nc(-c3ccccc3)cs2)CC(C)(C)[NH2+]1 ZINC000012975547 563375948 /nfs/dbraw/zinc/37/59/48/563375948.db2.gz SOZPYEHUBAYYTP-UHFFFAOYSA-N 1 0 315.486 4.531 50 0 DJAARO Clc1ccc(OC[C@H]2CCC[NH2+]C2)c(C2CCCCC2)c1 ZINC000014631347 563402190 /nfs/dbraw/zinc/40/21/90/563402190.db2.gz LPDIUGVWDOMBKM-AWEZNQCLSA-N 1 0 307.865 4.766 50 0 DJAARO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCC[C@H](C)C1 ZINC000014948135 563404345 /nfs/dbraw/zinc/40/43/45/563404345.db2.gz PWDPVZYVAJIEIT-LBPRGKRZSA-N 1 0 304.821 4.535 50 0 DJAARO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015071624 563406718 /nfs/dbraw/zinc/40/67/18/563406718.db2.gz FOPYYUHENQDELF-HNNXBMFYSA-N 1 0 317.498 4.636 50 0 DJAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2c(Cl)cccc2c1=O ZINC000009911020 563412806 /nfs/dbraw/zinc/41/28/06/563412806.db2.gz IGINMQLENZGBTR-UHFFFAOYSA-N 1 0 306.837 4.524 50 0 DJAARO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc3cccnc32)cc1 ZINC000025445932 563422960 /nfs/dbraw/zinc/42/29/60/563422960.db2.gz JEHNRMRTBJDQCK-IBGZPJMESA-N 1 0 306.384 4.711 50 0 DJAARO Cc1ccc(-c2c[n+](-c3ccc(C)cc3)c3n2CCCCC3)cc1 ZINC000027788762 563429918 /nfs/dbraw/zinc/42/99/18/563429918.db2.gz UFXSDZRTXXAERY-UHFFFAOYSA-N 1 0 317.456 4.775 50 0 DJAARO CCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028428100 563432483 /nfs/dbraw/zinc/43/24/83/563432483.db2.gz QVQINFLVWPMDLM-UHFFFAOYSA-N 1 0 312.844 4.843 50 0 DJAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000030640291 563437558 /nfs/dbraw/zinc/43/75/58/563437558.db2.gz FEXUCKMZOIEJDF-CYBMUJFWSA-N 1 0 316.832 4.539 50 0 DJAARO Cc1sc2c(c1C)C[NH2+][C@@H](c1ccc(C)cc1)c1cccn1-2 ZINC000032919296 563444088 /nfs/dbraw/zinc/44/40/88/563444088.db2.gz QWHSTYZJZYJOPP-SFHVURJKSA-N 1 0 308.450 4.657 50 0 DJAARO CC(C)C[C@H]([NH3+])P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000033414783 563445713 /nfs/dbraw/zinc/44/57/13/563445713.db2.gz KBDLEVJSRJXEGL-QGZVFWFLSA-N 1 0 319.341 4.668 50 0 DJAARO Cc1ccc(OCC[NH+]2CCC(Cc3ccccc3)CC2)c(C)c1 ZINC000004845579 563449805 /nfs/dbraw/zinc/44/98/05/563449805.db2.gz XBAJDZMCXFUAJP-UHFFFAOYSA-N 1 0 323.480 4.637 50 0 DJAARO CCC[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)[C@@]1(C)O ZINC000005061802 563450350 /nfs/dbraw/zinc/45/03/50/563450350.db2.gz MLVGPNYZXZFREZ-WWOGRVQXSA-N 1 0 323.480 4.876 50 0 DJAARO Cc1nc2cc(CCC(=O)Nc3ccc(C(C)C)cc3)ccc2[nH]1 ZINC000033169588 563499698 /nfs/dbraw/zinc/49/96/98/563499698.db2.gz UGCISQZXBVJORN-UHFFFAOYSA-N 1 0 321.424 4.566 50 0 DJAARO c1cc([C@H]2CCCN2Cc2ncc(-c3ccccc3)o2)cs1 ZINC000048234749 563693207 /nfs/dbraw/zinc/69/32/07/563693207.db2.gz JNGYMEVZOOQQBK-MRXNPFEDSA-N 1 0 310.422 4.740 50 0 DJAARO CC[NH+](CC)CCO[C@@H](c1ccccc1C)C1CCCCC1 ZINC000000971576 563785996 /nfs/dbraw/zinc/78/59/96/563785996.db2.gz OVWYRYFAKYWFLR-HXUWFJFHSA-N 1 0 303.490 4.975 50 0 DJAARO C[NH+](C)CCO[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000001999762 563797737 /nfs/dbraw/zinc/79/77/37/563797737.db2.gz UUANXCCUZYBHAN-OAQYLSRUSA-N 1 0 305.421 4.507 50 0 DJAARO C[C@H]([NH2+]Cc1c[nH]nc1-c1cccs1)c1ccccc1Cl ZINC000012539028 563799248 /nfs/dbraw/zinc/79/92/48/563799248.db2.gz RPBOCCZUSIOZOJ-NSHDSACASA-N 1 0 317.845 4.642 50 0 DJAARO CC1(C)C[C@@H]([NH2+]CCC2(Cc3ccccc3)CCCC2)CCO1 ZINC000032100970 563811480 /nfs/dbraw/zinc/81/14/80/563811480.db2.gz LJNQMQFMKZBYAQ-IBGZPJMESA-N 1 0 315.501 4.727 50 0 DJAARO C[C@@H](C(=O)c1c[nH]c2ccccc21)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000241121844 563880338 /nfs/dbraw/zinc/88/03/38/563880338.db2.gz JEFSJEFTKOZECG-GUYCJALGSA-N 1 0 324.449 4.638 50 0 DJAARO CCOc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002490789 563890388 /nfs/dbraw/zinc/89/03/88/563890388.db2.gz NOKXTCFCJQKIAJ-UHFFFAOYSA-N 1 0 309.453 4.540 50 0 DJAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)c1ccccc1 ZINC000169678026 563895028 /nfs/dbraw/zinc/89/50/28/563895028.db2.gz JYMONHZDXRAYTG-WIYYLYMNSA-N 1 0 311.469 4.638 50 0 DJAARO CC(C)[C@H]([NH2+][C@H](C)c1cccc(F)c1)c1nc2ccccc2[nH]1 ZINC000170040494 563903007 /nfs/dbraw/zinc/90/30/07/563903007.db2.gz WGEABDDEHXFRGT-ACJLOTCBSA-N 1 0 311.404 4.750 50 0 DJAARO C[C@H]([NH2+][C@@H](C)c1cnccn1)c1ccc(-c2ccccc2)cc1 ZINC000089904926 563912256 /nfs/dbraw/zinc/91/22/56/563912256.db2.gz CNEMOUHWCUKMJL-HOTGVXAUSA-N 1 0 303.409 4.555 50 0 DJAARO CC(C)Oc1ccc(C[NH2+]CC[C@@H](c2ccco2)C(C)C)cc1 ZINC000002104432 563913974 /nfs/dbraw/zinc/91/39/74/563913974.db2.gz MGXRJIVFQMYICW-LJQANCHMSA-N 1 0 315.457 4.986 50 0 biogenic DJAARO CC(C)Oc1ccc(C[NH2+]CC[C@H](c2ccco2)C(C)C)cc1 ZINC000002104434 563914050 /nfs/dbraw/zinc/91/40/50/563914050.db2.gz MGXRJIVFQMYICW-IBGZPJMESA-N 1 0 315.457 4.986 50 0 biogenic DJAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccccc2)(C(C)C)CCO1 ZINC000002111476 563914283 /nfs/dbraw/zinc/91/42/83/563914283.db2.gz WQVPNGWXOMBDFI-VQTJNVASSA-N 1 0 303.490 4.788 50 0 biogenic DJAARO Cc1cnc(CN[C@@H](c2ccccc2)c2cccc(Cl)c2)o1 ZINC000095966859 563933000 /nfs/dbraw/zinc/93/30/00/563933000.db2.gz ZXHAUDOIJOQARH-SFHVURJKSA-N 1 0 312.800 4.516 50 0 DJAARO Cc1c2ccccc2oc1[C@@H]([NH2+][C@H](C)c1cnccn1)C(C)C ZINC000095967928 563933078 /nfs/dbraw/zinc/93/30/78/563933078.db2.gz HZMADFNCONRIHY-KDOFPFPSSA-N 1 0 309.413 4.579 50 0 DJAARO c1ccc([C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)c2ccncc2)cc1 ZINC000095981659 563933905 /nfs/dbraw/zinc/93/39/05/563933905.db2.gz IKMIORSJIUAYGD-VSKRKVRLSA-N 1 0 314.432 4.564 50 0 DJAARO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)c(C)o1 ZINC000096476774 563937362 /nfs/dbraw/zinc/93/73/62/563937362.db2.gz UDNYGCOPTSABCS-CHWSQXEVSA-N 1 0 303.450 4.568 50 0 DJAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCC(O)(c1ccccc1)c1ccccc1 ZINC000029551827 563941275 /nfs/dbraw/zinc/94/12/75/563941275.db2.gz YWUUDSJJYZRSQL-RTBURBONSA-N 1 0 323.480 4.576 50 0 DJAARO C[C@@H]([NH2+]CCCO[C@H](C)c1ccccc1)c1ccnc(Cl)c1 ZINC000163382441 563943960 /nfs/dbraw/zinc/94/39/60/563943960.db2.gz OPXQPEKJCVWJNK-HUUCEWRRSA-N 1 0 318.848 4.554 50 0 DJAARO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000009515110 563956318 /nfs/dbraw/zinc/95/63/18/563956318.db2.gz FUEOKAJBHFWXMP-AQFXKWCLSA-N 1 0 316.489 4.695 50 0 DJAARO COc1ccccc1[C@H](CC[NH2+]Cc1ccco1)c1ccccc1 ZINC000009575755 563956896 /nfs/dbraw/zinc/95/68/96/563956896.db2.gz QIXFVPBWAOJSCK-LJQANCHMSA-N 1 0 321.420 4.600 50 0 DJAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2c(C)cc(C)cc2c1=O ZINC000009992780 563958093 /nfs/dbraw/zinc/95/80/93/563958093.db2.gz QGBPWXGFIAEBTJ-INIZCTEOSA-N 1 0 312.457 4.630 50 0 DJAARO CCCCCSC1=[NH+]c2ccccc2NC(CC(=O)OC)=C1 ZINC000035480685 563961917 /nfs/dbraw/zinc/96/19/17/563961917.db2.gz DDMODDFPBTWHDT-UHFFFAOYSA-N 1 0 318.442 4.513 50 0 DJAARO Cc1nc(C[N@H+](Cc2ccccc2)[C@@H](C)C2CC2)sc1C ZINC000078970982 185137223 /nfs/dbraw/zinc/13/72/23/185137223.db2.gz ADRNMTBUNODNOL-AWEZNQCLSA-N 1 0 300.471 4.561 50 0 DJAARO Clc1cc(C[NH2+]C2CCCCC2)ccc1Br ZINC000088125901 185240133 /nfs/dbraw/zinc/24/01/33/185240133.db2.gz RZSACCHFEWNRKJ-UHFFFAOYSA-N 1 0 302.643 4.525 50 0 DJAARO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000096999662 185396006 /nfs/dbraw/zinc/39/60/06/185396006.db2.gz IVVXBPUFRCZIRP-MRXNPFEDSA-N 1 0 307.441 4.524 50 0 DJAARO CCc1ccc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000072276803 191098674 /nfs/dbraw/zinc/09/86/74/191098674.db2.gz QELPSOZXXMIDPH-IBGZPJMESA-N 1 0 307.441 4.612 50 0 DJAARO C[C@@H](c1ccco1)[N@H+](C)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000072480435 191180795 /nfs/dbraw/zinc/18/07/95/191180795.db2.gz APLRFTBOKJCZFX-ZDUSSCGKSA-N 1 0 321.380 4.609 50 0 DJAARO CCc1cc(OCCCC[NH2+]Cc2ccccc2)ccc1Cl ZINC000002824124 180961891 /nfs/dbraw/zinc/96/18/91/180961891.db2.gz UPGCXRDLZBGZBB-UHFFFAOYSA-N 1 0 317.860 4.851 50 0 DJAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3[C@H]1CC(C)=C(C)C[C@@H]1C ZINC000004028866 181064187 /nfs/dbraw/zinc/06/41/87/181064187.db2.gz NNRHSNHZPUZQPQ-GZRFBZBPSA-N 1 0 324.468 4.746 50 0 biogenic DJAARO CCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C ZINC000003997919 181060548 /nfs/dbraw/zinc/06/05/48/181060548.db2.gz LNIGRARLURFSQQ-CZGNIMDHSA-N 1 0 309.453 4.630 50 0 DJAARO COc1ccc(C[NH2+]CC[C@H](CCC(C)C)c2ccco2)cc1 ZINC000004088482 181072229 /nfs/dbraw/zinc/07/22/29/181072229.db2.gz BHQUGPAQAFOGLE-SFHVURJKSA-N 1 0 315.457 4.988 50 0 biogenic DJAARO Cc1ccc(C)c(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000004315208 181096645 /nfs/dbraw/zinc/09/66/45/181096645.db2.gz XNEVTCFGUFCCHK-UHFFFAOYSA-N 1 0 319.452 4.559 50 0 DJAARO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000004657394 181132713 /nfs/dbraw/zinc/13/27/13/181132713.db2.gz YWKHXTRVMSFKNS-UHFFFAOYSA-N 1 0 321.823 4.946 50 0 DJAARO CCC(CC)[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000004700261 181138960 /nfs/dbraw/zinc/13/89/60/181138960.db2.gz YWKJYOVVODVRKV-UHFFFAOYSA-N 1 0 313.441 4.552 50 0 DJAARO Cc1cccc(CNc2[nH+]cc(-c3ccc(Cl)cc3)n2C)c1 ZINC000004678393 181135398 /nfs/dbraw/zinc/13/53/98/181135398.db2.gz XWXGLDHWLNCWPF-UHFFFAOYSA-N 1 0 311.816 4.661 50 0 DJAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2ccccc2)cc1C ZINC000004678986 181136027 /nfs/dbraw/zinc/13/60/27/181136027.db2.gz GLIDFNMHSYUYMZ-INIZCTEOSA-N 1 0 305.425 4.544 50 0 DJAARO C[C@@H](COc1cccc2ccccc21)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004837603 181159875 /nfs/dbraw/zinc/15/98/75/181159875.db2.gz CNIUMNFDNVKUAK-FGTMMUONSA-N 1 0 311.469 4.833 50 0 DJAARO COc1ccc(CC[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000004989513 181185918 /nfs/dbraw/zinc/18/59/18/181185918.db2.gz CWPWZWWSEGHANB-HNNXBMFYSA-N 1 0 317.860 4.502 50 0 DJAARO FC(F)Oc1ccc(NC2=[NH+]c3ccccc3SC2)cc1 ZINC000006045728 181307701 /nfs/dbraw/zinc/30/77/01/181307701.db2.gz KJYYOPBNPBDVTB-UHFFFAOYSA-N 1 0 306.337 4.536 50 0 DJAARO CC(C)[C@H](CC[NH2+]Cc1ccccn1)c1ccc(Cl)cc1 ZINC000006672480 181368649 /nfs/dbraw/zinc/36/86/49/181368649.db2.gz WIUJOZTZDSBSCB-SFHVURJKSA-N 1 0 302.849 4.655 50 0 DJAARO Cc1c2c(c(C)n1-c1ccccc1)[C@@]1(CCCC[C@H]1C)[NH2+]CC2 ZINC000015525259 182005548 /nfs/dbraw/zinc/00/55/48/182005548.db2.gz VPMXRBXAQBXEOI-VFNWGFHPSA-N 1 0 308.469 4.645 50 0 DJAARO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000015837249 182020557 /nfs/dbraw/zinc/02/05/57/182020557.db2.gz GNQLQBOVZSTJCE-HXUWFJFHSA-N 1 0 313.416 4.952 50 0 DJAARO CC[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccc(Br)cc1 ZINC000020123532 182188910 /nfs/dbraw/zinc/18/89/10/182188910.db2.gz VTSQYDHJNYQZNQ-IUODEOHRSA-N 1 0 319.246 4.646 50 0 DJAARO Clc1ccccc1COc1cccc(C[NH2+]C2CCCC2)c1 ZINC000022074251 182307773 /nfs/dbraw/zinc/30/77/73/182307773.db2.gz HSWUHCYFUJPXNF-UHFFFAOYSA-N 1 0 315.844 4.951 50 0 DJAARO C[N@@H+](Cc1ccc(-c2ccccc2)cc1)C[C@H](O)c1ccccc1 ZINC000023280030 182355472 /nfs/dbraw/zinc/35/54/72/182355472.db2.gz WIJDURCVVJOMOT-QFIPXVFZSA-N 1 0 317.432 4.519 50 0 DJAARO C[N@@H+](Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)c1ccccc1 ZINC000023280027 182355679 /nfs/dbraw/zinc/35/56/79/182355679.db2.gz WIJDURCVVJOMOT-JOCHJYFZSA-N 1 0 317.432 4.519 50 0 DJAARO CC1(C)C[C@@H]([NH2+]CCC2(c3ccccc3)CCCCC2)CCO1 ZINC000032094400 182633986 /nfs/dbraw/zinc/63/39/86/182633986.db2.gz SJBWMHRBYVIQDU-IBGZPJMESA-N 1 0 315.501 4.826 50 0 DJAARO Clc1cc(Cl)c(OCC[C@H]2CCCC[NH2+]2)cc1Cl ZINC000042772328 183307298 /nfs/dbraw/zinc/30/72/98/183307298.db2.gz ZDVVFTZVVYSXIK-SECBINFHSA-N 1 0 308.636 4.558 50 0 DJAARO Clc1cc(Cl)c(OC[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000042774510 183307668 /nfs/dbraw/zinc/30/76/68/183307668.db2.gz ITOSIVGLZFRDIY-NSHDSACASA-N 1 0 310.224 4.525 50 0 DJAARO C[C@H]([NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccco1 ZINC000058161690 184082941 /nfs/dbraw/zinc/08/29/41/184082941.db2.gz TZOMQSVKMRJLBA-JTQLQIEISA-N 1 0 324.207 4.713 50 0 DJAARO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000058160036 184082342 /nfs/dbraw/zinc/08/23/42/184082342.db2.gz AOYWLCSJUWFFFE-MRXNPFEDSA-N 1 0 324.449 4.558 50 0 DJAARO Cc1ccccc1-c1cc([C@@H]2CC[N@H+](Cc3ccco3)C2)ccn1 ZINC000065404790 184337618 /nfs/dbraw/zinc/33/76/18/184337618.db2.gz GQZPGQTVQCMICQ-GOSISDBHSA-N 1 0 318.420 4.640 50 0 DJAARO CSCc1ccc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)nc1 ZINC000426503724 257248175 /nfs/dbraw/zinc/24/81/75/257248175.db2.gz VWWJSRATTPPEDM-OAHLLOKOSA-N 1 0 312.482 4.768 50 0 DJAARO Cc1ccc(C[n+]2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000334162966 257262602 /nfs/dbraw/zinc/26/26/02/257262602.db2.gz KEICSRFTSAGOHU-UHFFFAOYSA-N 1 0 317.437 4.608 50 0 DJAARO Cc1cc([C@H](C)[NH2+][C@@H](CCCO)c2ccccc2)c(C)s1 ZINC000095423049 563931396 /nfs/dbraw/zinc/93/13/96/563931396.db2.gz YECHCDNQWMDJJP-KSSFIOAISA-N 1 0 303.471 4.529 50 0 DJAARO COc1ccc(Nc2c3c([nH+]c4ccc(C)cc42)CCC3)cc1 ZINC000000142580 563223222 /nfs/dbraw/zinc/22/32/22/563223222.db2.gz OLUVRKGPGULTCI-UHFFFAOYSA-N 1 0 304.393 4.784 50 0 DJAARO CC(C)CC[C@@]1(CC[NH2+]Cc2ccco2)CCOC(C)(C)C1 ZINC000002112329 563300114 /nfs/dbraw/zinc/30/01/14/563300114.db2.gz SMWWVQMZQWETQU-LJQANCHMSA-N 1 0 307.478 4.771 50 0 biogenic DJAARO CC1=C(CC[N@@H+](C)C[C@@H](O)c2ccccc2)C(C)(C)CCC1 ZINC000002498587 563304288 /nfs/dbraw/zinc/30/42/88/563304288.db2.gz CMAXEUZLLRCSAR-LJQANCHMSA-N 1 0 301.474 4.569 50 0 DJAARO C[N@H+](Cc1ccccc1)Cc1cncc(-c2cc(F)cc(F)c2)c1 ZINC000034670362 563310879 /nfs/dbraw/zinc/31/08/79/563310879.db2.gz UGDAXQQNQNPLAK-UHFFFAOYSA-N 1 0 324.374 4.659 50 0 DJAARO Clc1ccc(OCCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000002839466 563314234 /nfs/dbraw/zinc/31/42/34/563314234.db2.gz PIIMDINTTDAQQE-UHFFFAOYSA-N 1 0 315.844 4.557 50 0 DJAARO CC[NH+](CC)CCCCOc1cccc(Oc2ccccc2)c1 ZINC000002880490 563316982 /nfs/dbraw/zinc/31/69/82/563316982.db2.gz RALNPUVJSSSNOO-UHFFFAOYSA-N 1 0 313.441 4.980 50 0 DJAARO Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000005014299 563328796 /nfs/dbraw/zinc/32/87/96/563328796.db2.gz QOCKURUUCKZVIX-UHFFFAOYSA-N 1 0 322.452 4.542 50 0 DJAARO Cc1ccc(OCCCC[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c(C)c1 ZINC000005013722 563329215 /nfs/dbraw/zinc/32/92/15/563329215.db2.gz JFVXGMCWCRFNIA-YTQUADARSA-N 1 0 303.490 4.877 50 0 DJAARO CCOc1ccc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)cc1 ZINC000097393637 563345925 /nfs/dbraw/zinc/34/59/25/563345925.db2.gz NLBSYHJQMRZWOR-MRXNPFEDSA-N 1 0 313.441 4.723 50 0 DJAARO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](CC(C)(C)C)C2)c1 ZINC000011912228 563359595 /nfs/dbraw/zinc/35/95/95/563359595.db2.gz QSMHNWVVRZTMSL-KRWDZBQOSA-N 1 0 311.473 4.611 50 0 DJAARO c1ccc(C(SC2=[NH+][C@H]3CCCC[C@H]3N2)c2ccccc2)cc1 ZINC000014196660 563397641 /nfs/dbraw/zinc/39/76/41/563397641.db2.gz DFVGCXDKIAAVDE-HDICACEKSA-N 1 0 322.477 4.780 50 0 DJAARO Cc1ccccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029828203 563436393 /nfs/dbraw/zinc/43/63/93/563436393.db2.gz FRUAPJDRGWPPIT-KRWDZBQOSA-N 1 0 306.409 4.516 50 0 DJAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000030640293 563437454 /nfs/dbraw/zinc/43/74/54/563437454.db2.gz FEXUCKMZOIEJDF-ZDUSSCGKSA-N 1 0 316.832 4.539 50 0 DJAARO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]c3ccccc23)on1 ZINC000035453921 563452740 /nfs/dbraw/zinc/45/27/40/563452740.db2.gz RPTCYHBBEPDTPE-SFHVURJKSA-N 1 0 309.413 4.616 50 0 DJAARO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2c[nH]c3ccccc23)on1 ZINC000035453923 563452806 /nfs/dbraw/zinc/45/28/06/563452806.db2.gz RPTCYHBBEPDTPE-GOSISDBHSA-N 1 0 309.413 4.616 50 0 DJAARO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000101080431 563556231 /nfs/dbraw/zinc/55/62/31/563556231.db2.gz XGRXZYRAXFHXCA-NJDAHSKKSA-N 1 0 309.453 4.518 50 0 DJAARO C[NH+](C)CC[C@H]1Sc2ccccc2Sc2ccccc21 ZINC000000347759 563589374 /nfs/dbraw/zinc/58/93/74/563589374.db2.gz LIABTKMSNBPDSF-OAHLLOKOSA-N 1 0 301.480 4.936 50 0 DJAARO CCCC[NH2+]CCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000003000986 563635462 /nfs/dbraw/zinc/63/54/62/563635462.db2.gz SVKFQLGCEAYXNE-UHFFFAOYSA-N 1 0 311.469 4.781 50 0 DJAARO CCCC(=O)Nc1ccc(C[NH2+]Cc2c(C)cc(C)cc2C)cc1 ZINC000047719753 563692837 /nfs/dbraw/zinc/69/28/37/563692837.db2.gz YWBQXYOVPCJUKT-UHFFFAOYSA-N 1 0 324.468 4.640 50 0 DJAARO CCCC(=O)Nc1ccc(C[NH2+]Cc2ccc(C(C)C)cc2)cc1 ZINC000047719776 563692895 /nfs/dbraw/zinc/69/28/95/563692895.db2.gz WILLEHIRTCFNIO-UHFFFAOYSA-N 1 0 324.468 4.838 50 0 DJAARO CC(C)OC1CCC([NH2+][C@H](C)c2ccc(Cl)s2)CC1 ZINC000095980098 563744245 /nfs/dbraw/zinc/74/42/45/563744245.db2.gz GXJDAWCSZXSEMK-PNESKVBLSA-N 1 0 301.883 4.788 50 0 DJAARO CC(C)c1nnc(C[N@@H+]2CCCCC[C@@H]2C2CCCCC2)o1 ZINC000225397116 563753959 /nfs/dbraw/zinc/75/39/59/563753959.db2.gz ANZXYRNBUNRXDJ-MRXNPFEDSA-N 1 0 305.466 4.518 50 0 DJAARO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000083823618 563812337 /nfs/dbraw/zinc/81/23/37/563812337.db2.gz QWYMQABRNFIAJB-DLBZAZTESA-N 1 0 319.452 4.847 50 0 DJAARO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000084148686 563824220 /nfs/dbraw/zinc/82/42/20/563824220.db2.gz VYJDAVKCTLUHBW-KKSFZXQISA-N 1 0 305.421 4.532 50 0 DJAARO CCC[N@H+](Cc1nc2ccccc2o1)[C@@H]1CCc2ccccc2C1 ZINC000084755252 563830601 /nfs/dbraw/zinc/83/06/01/563830601.db2.gz UFDHMEJJSVYAIN-GOSISDBHSA-N 1 0 320.436 4.597 50 0 DJAARO Cc1cc(C)[n+]2c(n1)sc(-c1ccccc1)c2-c1ccccc1 ZINC000000124376 563878672 /nfs/dbraw/zinc/87/86/72/563878672.db2.gz VYTGIJJSNNBIPH-UHFFFAOYSA-N 1 0 317.437 4.833 50 0 DJAARO CCCC[C@@]1(O)C[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C1 ZINC000239165145 563879501 /nfs/dbraw/zinc/87/95/01/563879501.db2.gz NOGGZZYZLNOAKR-KOUNCHBCSA-N 1 0 323.480 5.116 50 0 DJAARO CCC[C@]1(O)C[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)[C@H]1C ZINC000239432756 563880189 /nfs/dbraw/zinc/88/01/89/563880189.db2.gz WIWFYRAALDRLRH-CIQXWFTPSA-N 1 0 323.480 4.972 50 0 DJAARO CC1(C)C[C@](CC[NH2+]Cc2ccccc2)(c2ccccc2)CCO1 ZINC000001790133 563887268 /nfs/dbraw/zinc/88/72/68/563887268.db2.gz ARZGTTMMEJDPHG-JOCHJYFZSA-N 1 0 323.480 4.693 50 0 biogenic DJAARO CC[C@@H](C)[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)c1ccccc1 ZINC000036031684 563892348 /nfs/dbraw/zinc/89/23/48/563892348.db2.gz AFYIHOFGMUCEOO-NQIIRXRSSA-N 1 0 311.469 4.638 50 0 DJAARO NC(=[NH2+])S[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000006931368 563899723 /nfs/dbraw/zinc/89/97/23/563899723.db2.gz VELWSABJUICTET-CQSZACIVSA-N 1 0 320.870 4.715 50 0 DJAARO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000006929287 563899801 /nfs/dbraw/zinc/89/98/01/563899801.db2.gz SXYGVUVSBXIGJD-QGZVFWFLSA-N 1 0 324.468 4.716 50 0 DJAARO c1c2ccccc2[nH]c1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000007078410 563902685 /nfs/dbraw/zinc/90/26/85/563902685.db2.gz PXWYOBGHDFLUNG-UHFFFAOYSA-N 1 0 304.437 4.590 50 0 in-vitro DJAARO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1)c1cnccn1 ZINC000089904928 563912119 /nfs/dbraw/zinc/91/21/19/563912119.db2.gz CNEMOUHWCUKMJL-JKSUJKDBSA-N 1 0 303.409 4.555 50 0 DJAARO Cc1cc(C)c(OCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000002823369 563913066 /nfs/dbraw/zinc/91/30/66/563913066.db2.gz NAQIZGMKQAIMPZ-IAGOWNOFSA-N 1 0 303.490 4.749 50 0 DJAARO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(C)ccc2C)s1 ZINC000170639769 563913888 /nfs/dbraw/zinc/91/38/88/563913888.db2.gz LIIDMLYBIIMQRY-OAHLLOKOSA-N 1 0 302.487 4.824 50 0 DJAARO COc1ccc(C[NH2+]CC[C@H](c2ccco2)c2ccccc2)cc1 ZINC000002292179 563925606 /nfs/dbraw/zinc/92/56/06/563925606.db2.gz PKDSRYXGTQMNPP-FQEVSTJZSA-N 1 0 321.420 4.600 50 0 DJAARO Cc1c([C@@H]2[C@H](CC[NH3+])C2(C)C)c2ccc3ccccc3c2n1C ZINC000002450747 563928949 /nfs/dbraw/zinc/92/89/49/563928949.db2.gz QURQMAIZWUYVAP-HKUYNNGSSA-N 1 0 306.453 4.728 50 0 DJAARO [NH2+]=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000094992639 563930885 /nfs/dbraw/zinc/93/08/85/563930885.db2.gz KHVAUUODGWHPEM-UHFFFAOYSA-N 1 0 320.367 4.842 50 0 DJAARO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)cc1)c1ccncc1 ZINC000095955767 563932424 /nfs/dbraw/zinc/93/24/24/563932424.db2.gz BKPOYFSFCZRCDF-INIZCTEOSA-N 1 0 304.393 4.725 50 0 DJAARO Cc1cnc(CN[C@H](c2ccccc2)c2cccc(Cl)c2)o1 ZINC000095966860 563933023 /nfs/dbraw/zinc/93/30/23/563933023.db2.gz ZXHAUDOIJOQARH-GOSISDBHSA-N 1 0 312.800 4.516 50 0 DJAARO Cc1c2ccccc2oc1[C@H]([NH2+][C@@H](C)c1cnccn1)C(C)C ZINC000095967925 563933297 /nfs/dbraw/zinc/93/32/97/563933297.db2.gz HZMADFNCONRIHY-KBXCAEBGSA-N 1 0 309.413 4.579 50 0 DJAARO c1ccc([C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)c2ccncc2)cc1 ZINC000095981658 563933944 /nfs/dbraw/zinc/93/39/44/563933944.db2.gz IKMIORSJIUAYGD-FSSWDIPSSA-N 1 0 314.432 4.564 50 0 DJAARO CC(C)[NH+](CCOC(c1ccccc1)c1ccccc1)C(C)C ZINC000096026470 563935127 /nfs/dbraw/zinc/93/51/27/563935127.db2.gz IZSXWGZLCVSNCA-UHFFFAOYSA-N 1 0 311.469 4.911 50 0 DJAARO Cc1ccc(OCCCC[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000002838891 563940893 /nfs/dbraw/zinc/94/08/93/563940893.db2.gz SEMBABNNFURFAZ-UHFFFAOYSA-N 1 0 309.453 4.521 50 0 DJAARO c1ccc2sc(SCCC[NH+]3CCCCCC3)nc2c1 ZINC000003218597 563943050 /nfs/dbraw/zinc/94/30/50/563943050.db2.gz IWFFFJFSRMFKNM-UHFFFAOYSA-N 1 0 306.500 4.655 50 0 DJAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2c(C)ccc(C)c2c1=O ZINC000008717814 563950176 /nfs/dbraw/zinc/95/01/76/563950176.db2.gz LJRLMQBCPRUXGI-MRXNPFEDSA-N 1 0 312.457 4.630 50 0 DJAARO CC(C)c1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000010435334 563959104 /nfs/dbraw/zinc/95/91/04/563959104.db2.gz LFUUNTKBLRLJBZ-UHFFFAOYSA-N 1 0 322.496 4.564 50 0 DJAARO c1ccc2c(c1)Sc1ccccc1N2C[C@@H]1C[NH+]2CCC1CC2 ZINC000001567421 568412261 /nfs/dbraw/zinc/41/22/61/568412261.db2.gz HOKDBMAJZXIPGC-INIZCTEOSA-N 1 0 322.477 4.631 50 0 world DJAARO COc1ccc(-c2ccc(C[NH2+]C3CCCC3)o2)cc1Cl ZINC000007539573 568412395 /nfs/dbraw/zinc/41/23/95/568412395.db2.gz JWFRFKJRIPCQHG-UHFFFAOYSA-N 1 0 305.805 4.641 50 0 DJAARO CCCC[N@@H+]1CC[C@H](OC(c2ccccc2)c2ccccc2)C1 ZINC000033639065 568412935 /nfs/dbraw/zinc/41/29/35/568412935.db2.gz QFGBDMAJXGJVDT-FQEVSTJZSA-N 1 0 309.453 4.667 50 0 DJAARO Cc1nc(C[N@H+](Cc2ccccc2)[C@H](C)C2CC2)sc1C ZINC000078970988 185137180 /nfs/dbraw/zinc/13/71/80/185137180.db2.gz ADRNMTBUNODNOL-CQSZACIVSA-N 1 0 300.471 4.561 50 0 DJAARO C[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)c1cncc(F)c1 ZINC000095421077 185360519 /nfs/dbraw/zinc/36/05/19/185360519.db2.gz OGYJXZRTULVSHY-MEBBXXQBSA-N 1 0 322.836 4.762 50 0 DJAARO CC(C)n1cc([C@H](C)[NH2+][C@@H](c2cc(F)ccc2F)C2CC2)cn1 ZINC000095423503 185361024 /nfs/dbraw/zinc/36/10/24/185361024.db2.gz OJHHHJACNCQITD-KPZWWZAWSA-N 1 0 319.399 4.544 50 0 DJAARO Cc1nc2sccn2c1[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000095466862 185372062 /nfs/dbraw/zinc/37/20/62/185372062.db2.gz CGUTYTRUJRYWGW-ZDUSSCGKSA-N 1 0 313.470 4.678 50 0 DJAARO FC(F)(F)c1cccc([C@@H]([NH2+]Cc2ccccc2)C2CC2)c1 ZINC000095455547 185370093 /nfs/dbraw/zinc/37/00/93/185370093.db2.gz ZETCAZPARRWQFE-KRWDZBQOSA-N 1 0 305.343 4.946 50 0 DJAARO CC(C)C/C=C(\C[NH+]1CC(c2ccccn2)C1)c1ccccc1 ZINC000072156253 191059695 /nfs/dbraw/zinc/05/96/95/191059695.db2.gz ZBJUPDIGNRHNLY-XDHOZWIPSA-N 1 0 306.453 4.611 50 0 DJAARO CCc1ccc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000072276802 191098148 /nfs/dbraw/zinc/09/81/48/191098148.db2.gz QELPSOZXXMIDPH-LJQANCHMSA-N 1 0 307.441 4.612 50 0 DJAARO C[C@@H](Nc1ccc(Cl)c(C[NH+](C)C)c1)c1ccc(F)cc1 ZINC000225604996 186282583 /nfs/dbraw/zinc/28/25/83/186282583.db2.gz REIMMDVFOXASOM-GFCCVEGCSA-N 1 0 306.812 4.714 50 0 DJAARO O[C@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000000346080 180762897 /nfs/dbraw/zinc/76/28/97/180762897.db2.gz RDSWIMJXJXLZBI-RBUKOAKNSA-N 1 0 315.844 4.601 50 0 DJAARO COC(=O)c1cc(-c2cccs2)[o+]c(-c2cccs2)c1 ZINC000000405034 180777926 /nfs/dbraw/zinc/77/79/26/180777926.db2.gz ZEDITULNGKUDAT-UHFFFAOYSA-N 1 0 303.384 4.804 50 0 DJAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCc1ccccc1 ZINC000000978634 180838943 /nfs/dbraw/zinc/83/89/43/180838943.db2.gz NVKJJLOASZCIGJ-HXUWFJFHSA-N 1 0 304.437 4.686 50 0 DJAARO CCOc1ccccc1OCCCCCC[NH+]1CCC(C)CC1 ZINC000002183526 180914684 /nfs/dbraw/zinc/91/46/84/180914684.db2.gz WJXVRTDOIRQHIS-UHFFFAOYSA-N 1 0 319.489 4.756 50 0 DJAARO Cc1ccc([C@H](CC[NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC000002117753 180910980 /nfs/dbraw/zinc/91/09/80/180910980.db2.gz BNFUTHPXMJPOOH-FQEVSTJZSA-N 1 0 305.421 4.900 50 0 DJAARO Cc1c([C@@H]2[C@@H](CC[NH3+])C2(C)C)c2ccc3ccccc3c2n1C ZINC000002450745 180924210 /nfs/dbraw/zinc/92/42/10/180924210.db2.gz QURQMAIZWUYVAP-MJGOQNOKSA-N 1 0 306.453 4.728 50 0 DJAARO Cc1cc(OCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1Cl ZINC000002825181 180962004 /nfs/dbraw/zinc/96/20/04/180962004.db2.gz RZVBGYDXLDYFIA-HUUCEWRRSA-N 1 0 309.881 4.785 50 0 DJAARO CCn1c(C)[n+](-c2ccccc2)c2cc(Cl)c(Cl)cc21 ZINC000003167982 180988155 /nfs/dbraw/zinc/98/81/55/180988155.db2.gz VUJNRLODNAPZEQ-UHFFFAOYSA-N 1 0 306.216 4.553 50 0 DJAARO c1ccc([C@@H]2C3=C(CCCC3)[N@H+]3CCO[C@@]34CCCC[C@H]24)cc1 ZINC000004027514 181064609 /nfs/dbraw/zinc/06/46/09/181064609.db2.gz BERGZMFIKZYZDE-HMXCVIKNSA-N 1 0 309.453 4.831 50 0 biogenic DJAARO C[C@@H](C[C@H]1[NH2+]Cc2ccccc2-n2cccc21)c1ccccc1 ZINC000004188336 181083494 /nfs/dbraw/zinc/08/34/94/181083494.db2.gz VKQLZBAUQXLBJJ-QFBILLFUSA-N 1 0 302.421 4.815 50 0 DJAARO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OC ZINC000004657522 181132711 /nfs/dbraw/zinc/13/27/11/181132711.db2.gz MTSPKWLXDYHBFP-CYBMUJFWSA-N 1 0 319.832 4.598 50 0 DJAARO Cc1ccc(CNc2[nH+]cc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000004678492 181136052 /nfs/dbraw/zinc/13/60/52/181136052.db2.gz HLVPOWDSVFODOD-UHFFFAOYSA-N 1 0 311.816 4.661 50 0 DJAARO Cc1ccc(C[N@H+](CCc2ccccc2)Cc2ccccc2)o1 ZINC000004682157 181136508 /nfs/dbraw/zinc/13/65/08/181136508.db2.gz JCASRINAHJPSDP-UHFFFAOYSA-N 1 0 305.421 4.833 50 0 DJAARO CC[N@H+](Cc1ccccc1)Cc1c(OC)ccc2ccccc21 ZINC000004695070 181137834 /nfs/dbraw/zinc/13/78/34/181137834.db2.gz LJWUOGXHPYTUBN-UHFFFAOYSA-N 1 0 305.421 4.871 50 0 DJAARO CCC[C@]1(O)C[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004992026 181186547 /nfs/dbraw/zinc/18/65/47/181186547.db2.gz WIWFYRAALDRLRH-XGARDCMYSA-N 1 0 323.480 4.972 50 0 DJAARO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCC(C)C ZINC000005064856 181199759 /nfs/dbraw/zinc/19/97/59/181199759.db2.gz VTMIFXCWXIUZKM-MRXNPFEDSA-N 1 0 313.441 4.581 50 0 DJAARO Cc1ccc[n+](CCCCn2c3ccccc3c3ccccc32)c1 ZINC000006590773 181358780 /nfs/dbraw/zinc/35/87/80/181358780.db2.gz WPSCGJVOIXYGSI-UHFFFAOYSA-N 1 0 315.440 4.871 50 0 DJAARO CC(C)OC1CCC([NH2+][C@@H](C)c2ccc(Cl)s2)CC1 ZINC000095980097 193473705 /nfs/dbraw/zinc/47/37/05/193473705.db2.gz GXJDAWCSZXSEMK-HIFPTAJRSA-N 1 0 301.883 4.788 50 0 DJAARO CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000015837439 182020365 /nfs/dbraw/zinc/02/03/65/182020365.db2.gz LSKZYGVCDTZEQI-FQEVSTJZSA-N 1 0 313.416 4.950 50 0 DJAARO [NH3+]CCCNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000019737034 182140808 /nfs/dbraw/zinc/14/08/08/182140808.db2.gz NKPRURUZCABLLJ-UHFFFAOYSA-N 1 0 322.450 4.714 50 0 DJAARO CC[C@@H](C[NH2+]Cc1ccccc1Cl)Oc1cccc(C)c1 ZINC000019737608 182141188 /nfs/dbraw/zinc/14/11/88/182141188.db2.gz SAUVEBVPHLEDTL-INIZCTEOSA-N 1 0 303.833 4.596 50 0 DJAARO CC[NH+](CC)c1ccc(NCCOc2cc(C)cc(C)c2)cc1 ZINC000019738525 182141384 /nfs/dbraw/zinc/14/13/84/182141384.db2.gz UUNLALZWWDZFFI-UHFFFAOYSA-N 1 0 312.457 4.641 50 0 DJAARO Clc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(Cl)c1 ZINC000020111991 182188668 /nfs/dbraw/zinc/18/86/68/182188668.db2.gz KVXJJHFLOAFTDX-INIZCTEOSA-N 1 0 317.219 4.710 50 0 biogenic DJAARO CC[C@H]([NH2+][C@H](C)c1ccccn1)c1ccc(Br)cc1 ZINC000020123533 182189057 /nfs/dbraw/zinc/18/90/57/182189057.db2.gz VTSQYDHJNYQZNQ-DOMZBBRYSA-N 1 0 319.246 4.646 50 0 DJAARO CC(C)(C)c1ccc(OC[C@H]2CCC[NH2+]C2)c(C(C)(C)C)c1 ZINC000020221676 182198918 /nfs/dbraw/zinc/19/89/18/182198918.db2.gz IJWPGBOKUJLOAP-HNNXBMFYSA-N 1 0 303.490 4.660 50 0 DJAARO COc1cc(C[NH2+][C@H](C)c2cccc3ccccc32)cc(OC)c1 ZINC000022787779 182335157 /nfs/dbraw/zinc/33/51/57/182335157.db2.gz RGBZTVSRFGAEDK-OAHLLOKOSA-N 1 0 321.420 4.708 50 0 DJAARO C[C@H]1CCC[C@H](C)[NH+]1CCC(O)(c1ccccc1)c1ccccc1 ZINC000029551837 182569533 /nfs/dbraw/zinc/56/95/33/182569533.db2.gz YWUUDSJJYZRSQL-OALUTQOASA-N 1 0 323.480 4.576 50 0 DJAARO C[C@@H]1CC[C@@H](C)[NH+]1CCCC(O)(c1ccccc1)c1ccccc1 ZINC000029555781 182569763 /nfs/dbraw/zinc/56/97/63/182569763.db2.gz VRBRWUXOCQWYLA-RTBURBONSA-N 1 0 323.480 4.576 50 0 DJAARO CC(C)(c1ccccc1)c1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042773136 183307062 /nfs/dbraw/zinc/30/70/62/183307062.db2.gz ZQPHSNSNUCMIRV-SFHVURJKSA-N 1 0 323.480 4.781 50 0 DJAARO CCC(C)(C)c1ccc(OCC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042771017 183307217 /nfs/dbraw/zinc/30/72/17/183307217.db2.gz UXYCLBVUMCMKGT-OAHLLOKOSA-N 1 0 309.881 4.939 50 0 DJAARO Clc1cc(Cl)c(OC[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000042774506 183308100 /nfs/dbraw/zinc/30/81/00/183308100.db2.gz ITOSIVGLZFRDIY-LLVKDONJSA-N 1 0 310.224 4.525 50 0 DJAARO c1cc([C@@H]2CCC[N@H+]2CCCOCCc2ccccc2)cs1 ZINC000058356708 184108355 /nfs/dbraw/zinc/10/83/55/184108355.db2.gz GHQDUPVUXVQIIF-IBGZPJMESA-N 1 0 315.482 4.534 50 0 DJAARO Cc1cccc(C)c1NC(=O)c1cccc(C[N@H+]2CCC[C@H]2C)c1 ZINC000065426743 184342774 /nfs/dbraw/zinc/34/27/74/184342774.db2.gz YLSUUCBYRWCNCL-QGZVFWFLSA-N 1 0 322.452 4.540 50 0 DJAARO Cc1ccccc1-c1cc([C@H]2CC[N@H+](Cc3ccco3)C2)ccn1 ZINC000065404791 184337988 /nfs/dbraw/zinc/33/79/88/184337988.db2.gz GQZPGQTVQCMICQ-SFHVURJKSA-N 1 0 318.420 4.640 50 0 DJAARO C[C@@H]1CCC[C@@H]([NH2+]CCCCOc2ccc(Cl)cc2)[C@H]1C ZINC000239309518 256601373 /nfs/dbraw/zinc/60/13/73/256601373.db2.gz HQFVREARNLXVII-RVKKMQEKSA-N 1 0 309.881 4.913 50 0 DJAARO Fc1ccccc1C[NH2+]CC[C@H](c1ccco1)c1ccccc1 ZINC000002302171 331469675 /nfs/dbraw/zinc/46/96/75/331469675.db2.gz GCPJYWWKHIXFJY-SFHVURJKSA-N 1 0 309.384 4.731 50 0 DJAARO CCOC(=O)c1ccccc1Nc1cc(C)[nH+]c2ccc(C)cc12 ZINC000006570127 331497106 /nfs/dbraw/zinc/49/71/06/331497106.db2.gz SXFGMSCKVFKKNZ-UHFFFAOYSA-N 1 0 320.392 4.772 50 0 DJAARO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000023282870 336387391 /nfs/dbraw/zinc/38/73/91/336387391.db2.gz JGCDHBOKIQNINW-GFCCVEGCSA-N 1 0 324.251 4.810 50 0 DJAARO C[C@@H](COc1ccccc1Cc1ccccc1)[NH+]1CCCCC1 ZINC000001481729 563284198 /nfs/dbraw/zinc/28/41/98/563284198.db2.gz JTUQXGZRVLWBCR-SFHVURJKSA-N 1 0 309.453 4.531 50 0 investigational DJAARO Fc1ccc(C[NH2+]CC[C@@H](c2ccco2)c2ccccc2)cc1 ZINC000002374008 563302947 /nfs/dbraw/zinc/30/29/47/563302947.db2.gz QTBGEZZBBMWLDB-LJQANCHMSA-N 1 0 309.384 4.731 50 0 DJAARO Fc1ccc(C[NH2+]CC[C@H](c2ccco2)c2ccccc2)cc1 ZINC000002374011 563303100 /nfs/dbraw/zinc/30/31/00/563303100.db2.gz QTBGEZZBBMWLDB-IBGZPJMESA-N 1 0 309.384 4.731 50 0 DJAARO Cc1ccc(-c2cncc(C[N@H+](C)Cc3ccccc3)c2)cc1 ZINC000034670325 563311329 /nfs/dbraw/zinc/31/13/29/563311329.db2.gz WKSLTYYDHSRDNV-UHFFFAOYSA-N 1 0 302.421 4.689 50 0 DJAARO CCCOc1c(Cl)cc(C[NH2+]C2CCCCC2)cc1OC ZINC000002882299 563316872 /nfs/dbraw/zinc/31/68/72/563316872.db2.gz ITBGSUKVEYXTQW-UHFFFAOYSA-N 1 0 311.853 4.560 50 0 DJAARO C/C(=C\c1ccccc1)C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000004981071 563328518 /nfs/dbraw/zinc/32/85/18/563328518.db2.gz GBIOPYRYTMEVCD-XDJHFCHBSA-N 1 0 320.480 4.529 50 0 DJAARO CC[NH+](CC)Cc1c(=O)c2cc(C)ccc2[nH]c1-c1ccccc1 ZINC000008572565 563348030 /nfs/dbraw/zinc/34/80/30/563348030.db2.gz HOLCPRQGNSGEQN-UHFFFAOYSA-N 1 0 320.436 4.758 50 0 DJAARO CCC[N@@H+]1CCOc2ccc(C3=Cc4ccccc4CC3)cc2C1 ZINC000012099972 563361585 /nfs/dbraw/zinc/36/15/85/563361585.db2.gz RMOWFNPCWKGBLI-UHFFFAOYSA-N 1 0 319.448 4.778 50 0 DJAARO Cc1ccc(-c2cn3c([n+]2-c2ccc(C)cc2)CCCCC3)cc1 ZINC000013511087 563382562 /nfs/dbraw/zinc/38/25/62/563382562.db2.gz LBLKLFVDWGFEKY-UHFFFAOYSA-N 1 0 317.456 4.775 50 0 DJAARO Fc1ccc([C@@H]2C[N@H+](Cc3cccc4ccccc43)CCO2)cc1 ZINC000029538073 563435251 /nfs/dbraw/zinc/43/52/51/563435251.db2.gz QEWZACBKTFJVIR-NRFANRHFSA-N 1 0 321.395 4.552 50 0 DJAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2Cl)cc1 ZINC000030640394 563437755 /nfs/dbraw/zinc/43/77/55/563437755.db2.gz LDEBDUWGHXNMMZ-ZDUSSCGKSA-N 1 0 316.832 4.539 50 0 DJAARO COc1ccc(Nc2cc(C)[nH+]c3c(C)c(C)ccc23)cc1OC ZINC000000183382 563446946 /nfs/dbraw/zinc/44/69/46/563446946.db2.gz QLQKHAFTHFSROJ-UHFFFAOYSA-N 1 0 322.408 4.921 50 0 DJAARO CC(C)C[NH+](CC(C)C)CP(=O)(OC(C)C)OC(C)C ZINC000097929752 563459358 /nfs/dbraw/zinc/45/93/58/563459358.db2.gz TYJNFVNHUFHQCQ-UHFFFAOYSA-N 1 0 307.415 4.601 50 0 DJAARO Fc1cc(C[NH+]2CCCC2)ccc1Oc1nccc2ccccc21 ZINC000067649373 563488970 /nfs/dbraw/zinc/48/89/70/563488970.db2.gz XISZIICBYNRAID-UHFFFAOYSA-N 1 0 322.383 4.762 50 0 DJAARO Clc1cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c2ccccc2n1 ZINC000097163119 563507760 /nfs/dbraw/zinc/50/77/60/563507760.db2.gz URDHCTDLMOSPRS-QGZVFWFLSA-N 1 0 311.816 4.553 50 0 DJAARO Clc1cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c2ccccc2n1 ZINC000097163120 563507850 /nfs/dbraw/zinc/50/78/50/563507850.db2.gz URDHCTDLMOSPRS-KRWDZBQOSA-N 1 0 311.816 4.553 50 0 DJAARO C[C@@H](c1ccc(-c2cnn(CC3CC3)c2)cc1)[NH+]1CCCCC1 ZINC000096133357 563533026 /nfs/dbraw/zinc/53/30/26/563533026.db2.gz BPCIEEOHPLRTQS-INIZCTEOSA-N 1 0 309.457 4.507 50 0 DJAARO CCC[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000060904485 563567747 /nfs/dbraw/zinc/56/77/47/563567747.db2.gz SXSWLKUQIYJNSH-ZIAGYGMSSA-N 1 0 319.474 4.761 50 0 DJAARO COc1ccc(OC)c(Nc2cc(C)[nH+]c3c(C)c(C)ccc23)c1 ZINC000000183386 563576171 /nfs/dbraw/zinc/57/61/71/563576171.db2.gz UUVZMPWZXHQCAB-UHFFFAOYSA-N 1 0 322.408 4.921 50 0 DJAARO COc1ccc(Nc2cc(C)[nH+]c3c(C)cc(C)cc23)cc1OC ZINC000005587502 563624091 /nfs/dbraw/zinc/62/40/91/563624091.db2.gz HAVFRSQUYZTCIK-UHFFFAOYSA-N 1 0 322.408 4.921 50 0 DJAARO c1coc(C[NH2+]CC[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000008991758 563626271 /nfs/dbraw/zinc/62/62/71/563626271.db2.gz PJSOPOCDCSDNCY-HXUWFJFHSA-N 1 0 305.421 4.786 50 0 DJAARO CC(C)c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010434310 563649187 /nfs/dbraw/zinc/64/91/87/563649187.db2.gz OHLPJPKACLLRPQ-UHFFFAOYSA-N 1 0 322.452 4.658 50 0 DJAARO CCOc1cc2c[nH+]c(NC3CCCCC3)cc2cc1OCC ZINC000000537181 563667140 /nfs/dbraw/zinc/66/71/40/563667140.db2.gz FQXIHHYPQNBVMP-UHFFFAOYSA-N 1 0 314.429 4.777 50 0 DJAARO Oc1ccc(CC[C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)o2)cc1 ZINC000215537523 563706329 /nfs/dbraw/zinc/70/63/29/563706329.db2.gz DVMJIVWXYKKJDL-HNNXBMFYSA-N 1 0 319.832 4.626 50 0 DJAARO Clc1ccccc1Oc1ncccc1C[NH+]1CCCCC1 ZINC000221271931 563723156 /nfs/dbraw/zinc/72/31/56/563723156.db2.gz QEBRHKBVPJYDCG-UHFFFAOYSA-N 1 0 302.805 4.513 50 0 DJAARO Clc1nc2ccccc2cc1CN1CCc2sccc2C1 ZINC000025309987 563725963 /nfs/dbraw/zinc/72/59/63/563725963.db2.gz XTXCOPAZEKMWSW-UHFFFAOYSA-N 1 0 314.841 4.508 50 0 DJAARO Cc1cc(C)c2[nH+]c(C)cc(Nc3ccc4c(c3)OCCO4)c2c1 ZINC000000949073 563784263 /nfs/dbraw/zinc/78/42/63/563784263.db2.gz PFAVALPRJKRJSB-UHFFFAOYSA-N 1 0 320.392 4.675 50 0 DJAARO Cc1cc([C@@H]([NH2+]Cc2nc(C)c(C)s2)C(C)C)c(C)s1 ZINC000091731444 563879122 /nfs/dbraw/zinc/87/91/22/563879122.db2.gz FAKVPWRRRKVPST-INIZCTEOSA-N 1 0 308.516 4.925 50 0 DJAARO CCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C ZINC000239274821 563879719 /nfs/dbraw/zinc/87/97/19/563879719.db2.gz ASKDBXWNERMDNU-CRMRCGQCSA-N 1 0 323.480 4.876 50 0 DJAARO CC[N@H+]1[C@H](c2ccccc2)[C@@H](C)C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000240936865 563880346 /nfs/dbraw/zinc/88/03/46/563880346.db2.gz SFCJAXKHIYXCGG-JSJNYSNDSA-N 1 0 307.437 4.646 50 0 DJAARO CC[NH+]1[C@H](c2ccccc2)[C@H](C)C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000240936864 563880356 /nfs/dbraw/zinc/88/03/56/563880356.db2.gz SFCJAXKHIYXCGG-FVCZOJIISA-N 1 0 307.437 4.646 50 0 DJAARO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCc1cccs1 ZINC000037211925 563906737 /nfs/dbraw/zinc/90/67/37/563906737.db2.gz FPIKDDSNVZOSOZ-NSHDSACASA-N 1 0 308.516 4.704 50 0 DJAARO O=C(CCCC1CCCCC1)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000007738185 563918593 /nfs/dbraw/zinc/91/85/93/563918593.db2.gz JVFJNZUWTXXDBD-UHFFFAOYSA-N 1 0 311.429 4.766 50 0 DJAARO CCCC[NH+](CCCC)Cc1cc(=O)oc2cc(C)ccc12 ZINC000002411384 563928033 /nfs/dbraw/zinc/92/80/33/563928033.db2.gz HUOYHILBYWYYHT-UHFFFAOYSA-N 1 0 301.430 4.504 50 0 DJAARO Cc1cccc(C2([NH2+]Cc3ccncc3Cl)CCCC2)c1 ZINC000095963075 563932530 /nfs/dbraw/zinc/93/25/30/563932530.db2.gz DMSVPFBKVQHFLI-UHFFFAOYSA-N 1 0 300.833 4.603 50 0 DJAARO C[C@@H](N[C@@H](c1ccccc1)C1CC1)c1occc1Br ZINC000095967198 563932875 /nfs/dbraw/zinc/93/28/75/563932875.db2.gz NARUBECAUNHION-ABAIWWIYSA-N 1 0 320.230 4.844 50 0 DJAARO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc2ccccc2o1 ZINC000095968367 563933109 /nfs/dbraw/zinc/93/31/09/563933109.db2.gz KZJVIKMLZDLTAL-QAPCUYQASA-N 1 0 309.409 4.597 50 0 DJAARO CC(C)c1ccc(C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)cc1 ZINC000095996309 563934369 /nfs/dbraw/zinc/93/43/69/563934369.db2.gz BLZGGOXGDGNDGT-LJQANCHMSA-N 1 0 300.421 4.831 50 0 DJAARO CC(C)c1ccc(C[NH2+][C@H](c2ccc(F)cn2)C(C)C)cc1 ZINC000095996310 563934395 /nfs/dbraw/zinc/93/43/95/563934395.db2.gz BLZGGOXGDGNDGT-IBGZPJMESA-N 1 0 300.421 4.831 50 0 DJAARO Cc1cccc2nc(CSc3nc4ccccc4s3)cn21 ZINC000002608246 563939344 /nfs/dbraw/zinc/93/93/44/563939344.db2.gz FSZIMBDXCLVSBN-UHFFFAOYSA-N 1 0 311.435 4.545 50 0 DJAARO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000008268511 563947324 /nfs/dbraw/zinc/94/73/24/563947324.db2.gz XNDVYZLSBLVSLY-QGZVFWFLSA-N 1 0 308.450 4.942 50 0 DJAARO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000009515109 563956431 /nfs/dbraw/zinc/95/64/31/563956431.db2.gz FUEOKAJBHFWXMP-CGZBRXJRSA-N 1 0 316.489 4.695 50 0 DJAARO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000009739895 563957621 /nfs/dbraw/zinc/95/76/21/563957621.db2.gz AXYSXFPRKQGTKT-CYBMUJFWSA-N 1 0 311.816 4.581 50 0 DJAARO Cc1cccc(C(C)(C)[NH2+]Cc2ccc(-c3cccnc3)o2)c1 ZINC000076764230 563960740 /nfs/dbraw/zinc/96/07/40/563960740.db2.gz FOTOACQDNROJHF-UHFFFAOYSA-N 1 0 306.409 4.675 50 0 DJAARO CCCC[N@H+](Cc1ccccc1)Cc1cc(OC)ccc1OC ZINC000002893773 568414277 /nfs/dbraw/zinc/41/42/77/568414277.db2.gz FNOCSTRDWWMKHP-UHFFFAOYSA-N 1 0 313.441 4.506 50 0 DJAARO C[N@@H+]1CCC[C@H](CN2c3ccccc3Sc3ccccc32)C1 ZINC000003683833 568417376 /nfs/dbraw/zinc/41/73/76/568417376.db2.gz CBHCDHNUZWWAPP-HNNXBMFYSA-N 1 0 310.466 4.631 50 0 biogenic,in-man DJAARO