smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1c3ccccc3C=Cc3ccccc31)C2 ZINC000000848767 210073087 /nfs/dbraw/zinc/07/30/87/210073087.db2.gz LXQVNBKASAWZBY-IHWFROFDSA-N 1 1 359.473 4.643 40 0 FJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1c(Cl)cccc1Cl ZINC000225359783 222835571 /nfs/dbraw/zinc/83/55/71/222835571.db2.gz OZYKYKBQSAWQTO-OAHLLOKOSA-N 1 1 371.352 4.697 40 0 FJABMO CC(C)NC(=O)c1ccccc1Sc1ccccc1C[N@@H+](C)C(C)C ZINC000001559276 204012621 /nfs/dbraw/zinc/01/26/21/204012621.db2.gz RJSYWZVNYLKKSP-UHFFFAOYSA-N 1 1 356.535 4.816 40 0 FJABMO Cc1c(Cl)ccc2c(C(=O)C[NH3+])cc(Oc3ccc(Cl)cc3)nc12 ZINC000001671659 204016823 /nfs/dbraw/zinc/01/68/23/204016823.db2.gz JDRPHLKNGCSHDF-UHFFFAOYSA-N 1 1 361.228 4.784 40 0 FJABMO COc1ccc(CNc2c(-c3ccccc3O)[nH+]c3c(C)cccn23)cc1 ZINC000004848436 204169475 /nfs/dbraw/zinc/16/94/75/204169475.db2.gz JOQSAOSVAJERAG-UHFFFAOYSA-N 1 1 359.429 4.636 40 0 FJABMO Cc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000004882283 204172262 /nfs/dbraw/zinc/17/22/62/204172262.db2.gz XHPYBPZCNXXYJY-FRIKZZABSA-N 1 1 363.505 4.702 40 0 FJABMO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1Cc1ccccc1F ZINC000005151107 204194278 /nfs/dbraw/zinc/19/42/78/204194278.db2.gz KDSGEFWXLQJWCW-OIBXWCBGSA-N 1 1 369.480 4.703 40 0 FJABMO Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCC1 ZINC000035310753 204236273 /nfs/dbraw/zinc/23/62/73/204236273.db2.gz YJKJUICGTSPQJT-CTXDPNEZSA-N 1 1 371.594 5.000 40 0 FJABMO Cc1c(Cl)cccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038849626 205042916 /nfs/dbraw/zinc/04/29/16/205042916.db2.gz IGWUJLCEUCKWPH-INIZCTEOSA-N 1 1 360.860 4.638 40 0 FJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000038834734 205043060 /nfs/dbraw/zinc/04/30/60/205043060.db2.gz UFUJWELZHDCKHO-UHFFFAOYSA-N 1 1 359.351 4.511 40 0 FJABMO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000038833398 205043252 /nfs/dbraw/zinc/04/32/52/205043252.db2.gz MMTZZBNAMWUZQO-GOSISDBHSA-N 1 1 356.897 4.808 40 0 FJABMO CCOc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038834278 205043315 /nfs/dbraw/zinc/04/33/15/205043315.db2.gz UKWHYFIOAFQIDD-QGZVFWFLSA-N 1 1 372.896 4.589 40 0 FJABMO CCc1ccc(C[N@H+](Cc2cccnc2)Cc2cc3c(cc2C)OCO3)cc1 ZINC000013569135 220074629 /nfs/dbraw/zinc/07/46/29/220074629.db2.gz PRWASOHLTPOSAS-UHFFFAOYSA-N 1 1 374.484 4.884 40 0 FJABMO CCc1ccc(C[N@@H+](Cc2cccnc2)Cc2cc3c(cc2C)OCO3)cc1 ZINC000013569135 220074633 /nfs/dbraw/zinc/07/46/33/220074633.db2.gz PRWASOHLTPOSAS-UHFFFAOYSA-N 1 1 374.484 4.884 40 0 FJABMO CCSc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044938584 205116598 /nfs/dbraw/zinc/11/65/98/205116598.db2.gz YWHAKFKWUBZTFR-KRWDZBQOSA-N 1 1 372.509 4.788 40 0 FJABMO CC(=O)c1ccc2[nH]c(C)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008717272 206217209 /nfs/dbraw/zinc/21/72/09/206217209.db2.gz XHRMPMKMSQEUBU-SBUREZEXSA-N 1 1 366.505 4.852 40 0 FJABMO COc1cccc([C@@H]2CCC[N@H+]2Cc2c(C)n(C)nc2-c2ccccc2)c1 ZINC000019715871 211249424 /nfs/dbraw/zinc/24/94/24/211249424.db2.gz JIBIOKCYGBPCSE-QFIPXVFZSA-N 1 1 361.489 4.741 40 0 FJABMO CCOc1cc(C[NH2+][C@H](Cc2cccs2)c2nccs2)ccc1OC ZINC000019532143 211230820 /nfs/dbraw/zinc/23/08/20/211230820.db2.gz DHUOICPENPQQSS-MRXNPFEDSA-N 1 1 374.531 4.686 40 0 FJABMO CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)cn1 ZINC000019524918 211227415 /nfs/dbraw/zinc/22/74/15/211227415.db2.gz WYWAADLCRUJQMY-HXUWFJFHSA-N 1 1 368.456 4.814 40 0 FJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3cccn3C)no2)cc1 ZINC000019291134 211212460 /nfs/dbraw/zinc/21/24/60/211212460.db2.gz JDDPRPPZEQVYHX-OAQYLSRUSA-N 1 1 365.477 4.806 40 0 FJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3cccn3C)no2)cc1 ZINC000019291134 211212463 /nfs/dbraw/zinc/21/24/63/211212463.db2.gz JDDPRPPZEQVYHX-OAQYLSRUSA-N 1 1 365.477 4.806 40 0 FJABMO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3nccc4ccccc43)o2)cc1 ZINC000019376477 211220632 /nfs/dbraw/zinc/22/06/32/211220632.db2.gz RCSDQZZZZHQGHH-LJQANCHMSA-N 1 1 374.419 4.761 40 0 FJABMO Fc1ccc(C[N@H+]2CCC[C@@H]2c2nnc(-c3nccc4ccccc43)o2)cc1 ZINC000019376477 211220639 /nfs/dbraw/zinc/22/06/39/211220639.db2.gz RCSDQZZZZHQGHH-LJQANCHMSA-N 1 1 374.419 4.761 40 0 FJABMO c1csc([C@H](Cc2ccsc2)[NH2+]Cc2cccc3cccnc32)n1 ZINC000019347323 211217096 /nfs/dbraw/zinc/21/70/96/211217096.db2.gz VUKMOODEOZGLQC-KRWDZBQOSA-N 1 1 351.500 4.826 40 0 FJABMO COc1cccc(C[NH2+][C@@H](Cc2cccs2)c2nc(C)cs2)c1OC ZINC000019240097 211212654 /nfs/dbraw/zinc/21/26/54/211212654.db2.gz CRFXVWYOIWJDJZ-INIZCTEOSA-N 1 1 374.531 4.604 40 0 FJABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000019081793 211202648 /nfs/dbraw/zinc/20/26/48/211202648.db2.gz RFSHXPJKQABFBM-FPOVZHCZSA-N 1 1 371.569 4.577 40 0 FJABMO CCOc1ccc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)cc1OC ZINC000019533961 220269659 /nfs/dbraw/zinc/26/96/59/220269659.db2.gz JRFZDYHZMXFRED-MRXNPFEDSA-N 1 1 374.531 4.686 40 0 FJABMO C[N@H+]1CCCCCC[C@H]1COC(=O)C(c1ccccc1)c1ccccc1 ZINC000002042211 210376421 /nfs/dbraw/zinc/37/64/21/210376421.db2.gz JFCAIPHAGUDUPW-NRFANRHFSA-N 1 1 351.490 4.626 40 0 FJABMO CC[NH+](CC)CCSCCNc1c(C)cnc2ccc(Cl)cc21 ZINC000001683261 210366164 /nfs/dbraw/zinc/36/61/64/210366164.db2.gz VQQBIOFKVOLIBQ-UHFFFAOYSA-N 1 1 351.947 4.684 40 0 FJABMO Fc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)o1 ZINC000049170521 221020878 /nfs/dbraw/zinc/02/08/78/221020878.db2.gz HBTMFJNJVFKNBP-AWEZNQCLSA-N 1 1 357.816 4.519 40 0 biogenic,in-vitro FJABMO Fc1ccc(Cc2cccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348946 221474796 /nfs/dbraw/zinc/47/47/96/221474796.db2.gz XXQZYXVEXHIYBX-LJQANCHMSA-N 1 1 361.464 4.586 40 0 FJABMO COc1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C(C)C)[nH+]1)C2 ZINC000329067570 132373205 /nfs/dbraw/zinc/37/32/05/132373205.db2.gz YIRSUTBRYOMXKT-UHFFFAOYSA-N 1 1 366.509 4.526 40 0 FJABMO CC(C)c1nc(NC2CCCCC2)cc(N2CCc3ccccc3C2)[nH+]1 ZINC000329066973 132373272 /nfs/dbraw/zinc/37/32/72/132373272.db2.gz YFHRDPXPSMNXOP-UHFFFAOYSA-N 1 1 350.510 4.907 40 0 FJABMO c1cc(CN[C@@H]2CC3(CC[NH+](CC4CC4)CC3)Oc3ccccc32)cs1 ZINC000096242803 222097569 /nfs/dbraw/zinc/09/75/69/222097569.db2.gz BBBSZFDYLWUGKK-HXUWFJFHSA-N 1 1 368.546 4.606 40 0 FJABMO Cc1nc(Nc2cc(C)nc([C@@H]3CCC[N@@H+](CC4CC4)C3)c2)sc1C ZINC000257215472 534498841 /nfs/dbraw/zinc/49/88/41/534498841.db2.gz CQGIOKKGDFFRJC-QGZVFWFLSA-N 1 1 356.539 4.796 40 0 FJABMO CCOc1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000020042846 521397442 /nfs/dbraw/zinc/39/74/42/521397442.db2.gz RCEGAIOLQALXDZ-KRWDZBQOSA-N 1 1 352.478 4.570 40 0 FJABMO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020452683 524535631 /nfs/dbraw/zinc/53/56/31/524535631.db2.gz ARADLAYSKOKUOL-UXHICEINSA-N 1 1 364.533 4.670 40 0 FJABMO Fc1ccccc1C[N@H+]1CC[C@H](c2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000035446687 560079479 /nfs/dbraw/zinc/07/94/79/560079479.db2.gz MNBXCMMNVPCGFT-ZDUSSCGKSA-N 1 1 363.358 4.710 40 0 biogenic,in-vitro FJABMO Fc1ccccc1C[N@@H+]1CC[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000035446687 560079480 /nfs/dbraw/zinc/07/94/80/560079480.db2.gz MNBXCMMNVPCGFT-ZDUSSCGKSA-N 1 1 363.358 4.710 40 0 biogenic,in-vitro FJABMO Fc1ccccc1C[N@H+]1CC[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000035446687 560079482 /nfs/dbraw/zinc/07/94/82/560079482.db2.gz MNBXCMMNVPCGFT-ZDUSSCGKSA-N 1 1 363.358 4.710 40 0 biogenic,in-vitro FJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000222676282 568552644 /nfs/dbraw/zinc/55/26/44/568552644.db2.gz HZZQAQSUADGSQR-UXHICEINSA-N 1 1 374.569 4.657 40 0 FJABMO CC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215613 570527575 /nfs/dbraw/zinc/52/75/75/570527575.db2.gz KJXMQVPOIUMVRT-GOSISDBHSA-N 1 1 359.514 4.923 40 0 FJABMO CC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215458 570531539 /nfs/dbraw/zinc/53/15/39/570531539.db2.gz SCTBZBKHFKTOHC-GOSISDBHSA-N 1 1 359.514 4.923 40 0 FJABMO CCC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215444 570531722 /nfs/dbraw/zinc/53/17/22/570531722.db2.gz LMECLZAKCFBOCZ-SFHVURJKSA-N 1 1 359.514 4.923 40 0 FJABMO C[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215787 570532951 /nfs/dbraw/zinc/53/29/51/570532951.db2.gz CSPFYTPROLJOSS-SFHVURJKSA-N 1 1 353.466 4.922 40 0 FJABMO Cc1[nH+]c(N2CCCCC2)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072219309 570534547 /nfs/dbraw/zinc/53/45/47/570534547.db2.gz IUOMTGZQYMUHRC-GOSISDBHSA-N 1 1 359.514 4.842 40 0 FJABMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044934857 570539310 /nfs/dbraw/zinc/53/93/10/570539310.db2.gz YWLNRFLHNUCKAM-QUCCMNQESA-N 1 1 368.496 4.532 40 0 FJABMO OCc1ccc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)cc1 ZINC000072348541 570546116 /nfs/dbraw/zinc/54/61/16/570546116.db2.gz WPLCXVSYRNPXHX-QFIPXVFZSA-N 1 1 358.485 4.621 40 0 FJABMO Cc1ccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccc5ncccc5c4)C3)n2)cc1 ZINC000072369987 570546644 /nfs/dbraw/zinc/54/66/44/570546644.db2.gz LUGNKUKZEGHLOB-HXUWFJFHSA-N 1 1 370.456 4.583 40 0 FJABMO CCC[n+]1cc(Br)cc(-c2nc3cc(C)c(Cl)cc3[nH]2)c1 ZINC000226774348 570611355 /nfs/dbraw/zinc/61/13/55/570611355.db2.gz VDRZUFZGQBIDER-UHFFFAOYSA-N 1 1 365.682 4.652 40 0 FJABMO CCOc1ccc(C[N@H+](C)[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000007781804 570673147 /nfs/dbraw/zinc/67/31/47/570673147.db2.gz NBEOWDPPBHSBLZ-INIZCTEOSA-N 1 1 351.450 4.637 40 0 FJABMO CCOc1ccc(C[N@@H+](C)[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000007781804 570673151 /nfs/dbraw/zinc/67/31/51/570673151.db2.gz NBEOWDPPBHSBLZ-INIZCTEOSA-N 1 1 351.450 4.637 40 0 FJABMO c1csc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000004981604 570676085 /nfs/dbraw/zinc/67/60/85/570676085.db2.gz UXYJZCLJPYUZCM-XZOQPEGZSA-N 1 1 362.542 4.896 40 0 FJABMO c1csc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000004981604 570676088 /nfs/dbraw/zinc/67/60/88/570676088.db2.gz UXYJZCLJPYUZCM-XZOQPEGZSA-N 1 1 362.542 4.896 40 0 FJABMO c1csc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000004981604 570676092 /nfs/dbraw/zinc/67/60/92/570676092.db2.gz UXYJZCLJPYUZCM-XZOQPEGZSA-N 1 1 362.542 4.896 40 0 FJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccccn3)no2)cc1 ZINC000012143936 570721973 /nfs/dbraw/zinc/72/19/73/570721973.db2.gz JZMYFNJNXQXFPD-NRFANRHFSA-N 1 1 363.461 4.863 40 0 FJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccccn3)no2)cc1 ZINC000012143936 570721979 /nfs/dbraw/zinc/72/19/79/570721979.db2.gz JZMYFNJNXQXFPD-NRFANRHFSA-N 1 1 363.461 4.863 40 0 FJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccccn3)no2)cc1 ZINC000012143937 570721990 /nfs/dbraw/zinc/72/19/90/570721990.db2.gz JZMYFNJNXQXFPD-OAQYLSRUSA-N 1 1 363.461 4.863 40 0 FJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccccn3)no2)cc1 ZINC000012143937 570721997 /nfs/dbraw/zinc/72/19/97/570721997.db2.gz JZMYFNJNXQXFPD-OAQYLSRUSA-N 1 1 363.461 4.863 40 0 FJABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc4ccccc4cn3)C2)c(OC)c1 ZINC000012187995 570725290 /nfs/dbraw/zinc/72/52/90/570725290.db2.gz OONUAPAENURZJM-LJQANCHMSA-N 1 1 362.473 4.632 40 0 FJABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc4ccccc4cn3)C2)cc1OC ZINC000012222636 570729639 /nfs/dbraw/zinc/72/96/39/570729639.db2.gz SQZKYCVQJIPWMI-FQEVSTJZSA-N 1 1 362.473 4.632 40 0 FJABMO COc1cccc(C[NH2+][C@H](Cc2cccs2)c2nc(C)cs2)c1OC ZINC000019240098 570884017 /nfs/dbraw/zinc/88/40/17/570884017.db2.gz CRFXVWYOIWJDJZ-MRXNPFEDSA-N 1 1 374.531 4.604 40 0 FJABMO COc1ccccc1C[NH2+][C@@H](Cc1ccsc1)c1nc(C)c(C)s1 ZINC000019559929 570893407 /nfs/dbraw/zinc/89/34/07/570893407.db2.gz KAYQTZSNUTZANS-KRWDZBQOSA-N 1 1 358.532 4.904 40 0 FJABMO Cc1nc([C@H]2CCCC[N@H+]2C(C)C)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019754189 570902313 /nfs/dbraw/zinc/90/23/13/570902313.db2.gz HJBWHAUGLAXRLQ-GOSISDBHSA-N 1 1 372.900 4.626 40 0 FJABMO Cc1nc([C@H]2CCCC[N@@H+]2C(C)C)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019754189 570902316 /nfs/dbraw/zinc/90/23/16/570902316.db2.gz HJBWHAUGLAXRLQ-GOSISDBHSA-N 1 1 372.900 4.626 40 0 FJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)C1 ZINC000020492556 570918612 /nfs/dbraw/zinc/91/86/12/570918612.db2.gz QXEUMZNBRMQWHN-WZONZLPQSA-N 1 1 362.517 4.726 40 0 FJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)C1 ZINC000224332565 570985456 /nfs/dbraw/zinc/98/54/56/570985456.db2.gz KVRIDOIUOUDRIC-QGZVFWFLSA-N 1 1 370.924 4.544 40 0 FJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000225335804 571028927 /nfs/dbraw/zinc/02/89/27/571028927.db2.gz HKYHNDGHWXBEEV-INIZCTEOSA-N 1 1 371.352 4.697 40 0 FJABMO Fc1cccc(C[N@@H+]2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 ZINC000306135234 571038974 /nfs/dbraw/zinc/03/89/74/571038974.db2.gz OLJMPKMSNBZHTO-OAQYLSRUSA-N 1 1 372.447 4.873 40 0 FJABMO Fc1cccc(C[N@H+]2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 ZINC000306135234 571038976 /nfs/dbraw/zinc/03/89/76/571038976.db2.gz OLJMPKMSNBZHTO-OAQYLSRUSA-N 1 1 372.447 4.873 40 0 FJABMO Fc1cccc(CN2CCC[C@@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)c1 ZINC000306135234 571038979 /nfs/dbraw/zinc/03/89/79/571038979.db2.gz OLJMPKMSNBZHTO-OAQYLSRUSA-N 1 1 372.447 4.873 40 0 FJABMO Fc1cccc(C[N@@H+]2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 ZINC000306135233 571039174 /nfs/dbraw/zinc/03/91/74/571039174.db2.gz OLJMPKMSNBZHTO-NRFANRHFSA-N 1 1 372.447 4.873 40 0 FJABMO Fc1cccc(C[N@H+]2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 ZINC000306135233 571039175 /nfs/dbraw/zinc/03/91/75/571039175.db2.gz OLJMPKMSNBZHTO-NRFANRHFSA-N 1 1 372.447 4.873 40 0 FJABMO Fc1cccc(CN2CCC[C@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)c1 ZINC000306135233 571039180 /nfs/dbraw/zinc/03/91/80/571039180.db2.gz OLJMPKMSNBZHTO-NRFANRHFSA-N 1 1 372.447 4.873 40 0 FJABMO Fc1ccccc1CN1CCC[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306140980 571041815 /nfs/dbraw/zinc/04/18/15/571041815.db2.gz VICVUOPPEMAFEN-OAQYLSRUSA-N 1 1 372.447 4.873 40 0 FJABMO Fc1ccccc1C[N@@H+]1CCC[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306140980 571041819 /nfs/dbraw/zinc/04/18/19/571041819.db2.gz VICVUOPPEMAFEN-OAQYLSRUSA-N 1 1 372.447 4.873 40 0 FJABMO Fc1ccccc1C[N@H+]1CCC[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306140980 571041821 /nfs/dbraw/zinc/04/18/21/571041821.db2.gz VICVUOPPEMAFEN-OAQYLSRUSA-N 1 1 372.447 4.873 40 0 FJABMO Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1C ZINC000225575812 571046610 /nfs/dbraw/zinc/04/66/10/571046610.db2.gz IVKOKXQQYKDHCS-UHFFFAOYSA-N 1 1 374.887 4.947 40 0 FJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000225582276 571047025 /nfs/dbraw/zinc/04/70/25/571047025.db2.gz NBVJPQMXUSOUAE-INIZCTEOSA-N 1 1 373.488 4.646 40 0 FJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000225581159 571047185 /nfs/dbraw/zinc/04/71/85/571047185.db2.gz RBAMYLOSANBLNK-INIZCTEOSA-N 1 1 373.488 4.646 40 0 FJABMO O=C(NC1CCCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225578514 571047208 /nfs/dbraw/zinc/04/72/08/571047208.db2.gz ZLUHTFQCGRFOOA-UHFFFAOYSA-N 1 1 366.908 4.530 40 0 FJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000030851494 571050826 /nfs/dbraw/zinc/05/08/26/571050826.db2.gz HIWHKHPTUQTATJ-UHFFFAOYSA-N 1 1 367.452 4.778 40 0 FJABMO c1ccc2cc(Nc3ccc(OCCC[NH+]4CCOCC4)cc3)ccc2c1 ZINC000031623500 571055063 /nfs/dbraw/zinc/05/50/63/571055063.db2.gz KOCPYERCXURQFX-UHFFFAOYSA-N 1 1 362.473 4.685 40 0 FJABMO c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000034086998 571085713 /nfs/dbraw/zinc/08/57/13/571085713.db2.gz MGXJQLLOZXQAEP-RPBOFIJWSA-N 1 1 356.513 4.835 40 0 FJABMO c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000034086998 571085716 /nfs/dbraw/zinc/08/57/16/571085716.db2.gz MGXJQLLOZXQAEP-RPBOFIJWSA-N 1 1 356.513 4.835 40 0 FJABMO c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000034086998 571085718 /nfs/dbraw/zinc/08/57/18/571085718.db2.gz MGXJQLLOZXQAEP-RPBOFIJWSA-N 1 1 356.513 4.835 40 0 FJABMO O=C(Nc1ccccc1Cl)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038833757 571087103 /nfs/dbraw/zinc/08/71/03/571087103.db2.gz RYVXOAAXHSHOBG-HNNXBMFYSA-N 1 1 363.288 4.844 40 0 FJABMO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038833712 571087366 /nfs/dbraw/zinc/08/73/66/571087366.db2.gz DUAQDBYMTMKOTO-IBGZPJMESA-N 1 1 354.469 4.800 40 0 FJABMO CCc1cccc(C)c1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038856938 571088455 /nfs/dbraw/zinc/08/84/55/571088455.db2.gz YPZRMCOTCHJECI-IBGZPJMESA-N 1 1 354.469 4.547 40 0 FJABMO CCCCCNC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038858892 571088470 /nfs/dbraw/zinc/08/84/70/571088470.db2.gz JQPJFWBHGTYNIN-AWEZNQCLSA-N 1 1 357.325 4.512 40 0 FJABMO CCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038858892 571088472 /nfs/dbraw/zinc/08/84/72/571088472.db2.gz JQPJFWBHGTYNIN-AWEZNQCLSA-N 1 1 357.325 4.512 40 0 FJABMO C[N@@H+](CCc1ccc2c(Br)ccc(O)c2n1)C1CCCCC1 ZINC000059474714 571090766 /nfs/dbraw/zinc/09/07/66/571090766.db2.gz QEYVDIDTWNYUJV-UHFFFAOYSA-N 1 1 363.299 4.510 40 0 FJABMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(C)cc1 ZINC000044935701 571105281 /nfs/dbraw/zinc/10/52/81/571105281.db2.gz QPKWTDWYEPBHIU-IFMALSPDSA-N 1 1 368.496 4.614 40 0 FJABMO c1ccc(C[C@H]2CCC[N@H+](Cc3ccccc3OCc3cccnc3)C2)nc1 ZINC000257235532 571152851 /nfs/dbraw/zinc/15/28/51/571152851.db2.gz GYFMXGMMSZSCBN-HXUWFJFHSA-N 1 1 373.500 4.510 40 0 FJABMO Cc1noc(C)c1-c1cncc([C@@H]2CCC[N@H+]2Cc2c[nH]c3ccccc23)n1 ZINC000257264181 571155695 /nfs/dbraw/zinc/15/56/95/571155695.db2.gz LTGDBMFSNIFRGU-NRFANRHFSA-N 1 1 373.460 4.567 40 0 FJABMO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000257296861 571159022 /nfs/dbraw/zinc/15/90/22/571159022.db2.gz REQSIJQVUNWRST-QGZVFWFLSA-N 1 1 369.484 4.631 40 0 FJABMO Cc1cc(C)c2cc(C[NH2+]Cc3ccc4c(c3)OCO4)c(Cl)nc2c1 ZINC000035311721 571160902 /nfs/dbraw/zinc/16/09/02/571160902.db2.gz AQSWNTZXPYPUKT-UHFFFAOYSA-N 1 1 354.837 4.524 40 0 FJABMO Fc1ccccc1Cc1cccc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072348816 571180281 /nfs/dbraw/zinc/18/02/81/571180281.db2.gz JUZXULJNRYNZIV-FQEVSTJZSA-N 1 1 361.464 4.586 40 0 FJABMO Cc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348939 571180517 /nfs/dbraw/zinc/18/05/17/571180517.db2.gz RVGUDWXUKDQVCZ-OAQYLSRUSA-N 1 1 357.501 4.755 40 0 FJABMO COc1cccc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348930 571180592 /nfs/dbraw/zinc/18/05/92/571180592.db2.gz QANGOWXZUMBYFP-IBGZPJMESA-N 1 1 359.473 4.532 40 0 FJABMO Clc1cccc(-c2cccc([C@H]3CCC[N@H+](C4CCOCC4)C3)n2)c1 ZINC000072350085 571181481 /nfs/dbraw/zinc/18/14/81/571181481.db2.gz IFMTZGWEDIQTIO-KRWDZBQOSA-N 1 1 356.897 4.760 40 0 FJABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3nccnc3-c3ccc(F)cc3)C2)cc1 ZINC000072358381 571183514 /nfs/dbraw/zinc/18/35/14/571183514.db2.gz NGJRYTCOOBBJKT-GOSISDBHSA-N 1 1 365.427 4.801 40 0 FJABMO COc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000072358353 571183530 /nfs/dbraw/zinc/18/35/30/571183530.db2.gz IHCWGRSJKDNONN-FQEVSTJZSA-N 1 1 359.473 4.532 40 0 FJABMO Fc1ccc(-c2nccnc2[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000072358511 571183541 /nfs/dbraw/zinc/18/35/41/571183541.db2.gz UMYJFGOBFSEWRI-FQEVSTJZSA-N 1 1 361.464 4.705 40 0 FJABMO Fc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-c3ccc(F)cc3)C2)cc1 ZINC000072358380 571183572 /nfs/dbraw/zinc/18/35/72/571183572.db2.gz NGJRYTCOOBBJKT-SFHVURJKSA-N 1 1 365.427 4.801 40 0 FJABMO Fc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-c3ccccc3F)C2)cc1 ZINC000072358383 571183622 /nfs/dbraw/zinc/18/36/22/571183622.db2.gz FXUSMWKANQPVPF-KRWDZBQOSA-N 1 1 365.427 4.801 40 0 FJABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)cc1 ZINC000072358384 571183639 /nfs/dbraw/zinc/18/36/39/571183639.db2.gz PULPOUZZLQBRGM-GOSISDBHSA-N 1 1 365.427 4.801 40 0 FJABMO Cc1ccccc1-c1noc([C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)n1 ZINC000072369931 571185062 /nfs/dbraw/zinc/18/50/62/571185062.db2.gz WIHWMIWOOCZBEQ-MRXNPFEDSA-N 1 1 353.853 4.688 40 0 FJABMO Cc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375267 571185623 /nfs/dbraw/zinc/18/56/23/571185623.db2.gz PMWOFRNAUCNAMR-GOSISDBHSA-N 1 1 350.491 4.927 40 0 FJABMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cncc(Nc3ccccn3)n2)cc1C ZINC000072376434 571186155 /nfs/dbraw/zinc/18/61/55/571186155.db2.gz RJKYUCMQJXJDES-HXUWFJFHSA-N 1 1 359.477 4.569 40 0 FJABMO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@H+]2CCc2ccccc2)n1 ZINC000072379127 571187775 /nfs/dbraw/zinc/18/77/75/571187775.db2.gz NPYUVONJKATYQF-OAQYLSRUSA-N 1 1 360.505 4.770 40 0 FJABMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389984 571189291 /nfs/dbraw/zinc/18/92/91/571189291.db2.gz FZNMSZASNLAMLN-HXUWFJFHSA-N 1 1 362.477 4.635 40 0 FJABMO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1 ZINC000072390147 571189577 /nfs/dbraw/zinc/18/95/77/571189577.db2.gz ICGMREFNADJDRV-QGZVFWFLSA-N 1 1 355.463 4.534 40 0 FJABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1 ZINC000072390147 571189580 /nfs/dbraw/zinc/18/95/80/571189580.db2.gz ICGMREFNADJDRV-QGZVFWFLSA-N 1 1 355.463 4.534 40 0 FJABMO C[N@H+]1CCCC[C@H]1Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000045284908 571206084 /nfs/dbraw/zinc/20/60/84/571206084.db2.gz MOBWRRIAIHYXLB-INIZCTEOSA-N 1 1 352.522 4.991 40 0 in-vitro FJABMO Cc1cc([C@@H]2CCCCC[N@@H+]2C[C@H](C)Cc2ccc3c(c2)OCO3)on1 ZINC000253600413 571291871 /nfs/dbraw/zinc/29/18/71/571291871.db2.gz OSKRHTGOPLSZQM-QAPCUYQASA-N 1 1 356.466 4.508 40 0 FJABMO Fc1ccccc1OCCc1cc([C@H]2CCC[N@H+]2Cc2ccccc2)[nH]n1 ZINC000019743205 571327200 /nfs/dbraw/zinc/32/72/00/571327200.db2.gz WUMMXRZWFPLKDK-OAQYLSRUSA-N 1 1 365.452 4.507 40 0 FJABMO CCOc1ccc(C[N@H+]2CC[C@H](c3c[nH]c4ccc(OC)cc43)C2)cc1 ZINC000057745001 210208759 /nfs/dbraw/zinc/20/87/59/210208759.db2.gz OPZCOVFIQXABAJ-KRWDZBQOSA-N 1 1 350.462 4.565 40 0 FJABMO C[C@@H]1C[NH+](Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C[C@@H](C)O1 ZINC000216840051 210161865 /nfs/dbraw/zinc/16/18/65/210161865.db2.gz SPFVSBDBQFOZNE-ZIAGYGMSSA-N 1 1 356.853 4.757 40 0 FJABMO Cc1ccc([C@@H](c2nnnn2C2CCCCC2)[N@@H+](C)C2CCCCC2)cc1 ZINC000000883923 219336767 /nfs/dbraw/zinc/33/67/67/219336767.db2.gz OJLXWMMIYKCGBJ-NRFANRHFSA-N 1 1 367.541 4.841 40 0 FJABMO Cc1ccc([C@@H](c2nnnn2C2CCCCC2)[N@H+](C)C2CCCCC2)cc1 ZINC000000883923 219336769 /nfs/dbraw/zinc/33/67/69/219336769.db2.gz OJLXWMMIYKCGBJ-NRFANRHFSA-N 1 1 367.541 4.841 40 0 FJABMO Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCC[N@H+]2Cc2ccnn2C)n1 ZINC000257230786 223029307 /nfs/dbraw/zinc/02/93/07/223029307.db2.gz GDXORBVWYYGPDR-JOCHJYFZSA-N 1 1 364.468 4.657 40 0 FJABMO Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCC[N@@H+]2Cc2ccnn2C)n1 ZINC000257230786 223029309 /nfs/dbraw/zinc/02/93/09/223029309.db2.gz GDXORBVWYYGPDR-JOCHJYFZSA-N 1 1 364.468 4.657 40 0 FJABMO Cc1cccc(Nc2ccc([C@H]3CCCC[N@H+]3Cc3ccncc3)cn2)n1 ZINC000257239623 223033567 /nfs/dbraw/zinc/03/35/67/223033567.db2.gz HQDNQVIWCHUUGO-HXUWFJFHSA-N 1 1 359.477 4.651 40 0 FJABMO Fc1ccc(Cc2ccc([C@H]3CCCC[N@H+]3Cc3ccncc3)cn2)cc1 ZINC000257271735 223045839 /nfs/dbraw/zinc/04/58/39/223045839.db2.gz MZPKNPVQEUBCCH-HSZRJFAPSA-N 1 1 361.464 4.934 40 0 FJABMO CC(C)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038856715 205043384 /nfs/dbraw/zinc/04/33/84/205043384.db2.gz AUXPFVHMGFJFPV-SFHVURJKSA-N 1 1 354.469 4.800 40 0 FJABMO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccccc1Cl ZINC000043277780 205102456 /nfs/dbraw/zinc/10/24/56/205102456.db2.gz KUOOGSOEEPQLIR-UHFFFAOYSA-N 1 1 369.896 4.638 40 0 FJABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccccc1Cl ZINC000043277780 205102461 /nfs/dbraw/zinc/10/24/61/205102461.db2.gz KUOOGSOEEPQLIR-UHFFFAOYSA-N 1 1 369.896 4.638 40 0 FJABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccccc2C)cc1OC ZINC000013989902 220099732 /nfs/dbraw/zinc/09/97/32/220099732.db2.gz OGTVXHUOSKACHZ-UHFFFAOYSA-N 1 1 362.473 4.610 40 0 FJABMO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4c[nH]c5ccccc45)C3)o2)cc1 ZINC000049169926 206086043 /nfs/dbraw/zinc/08/60/43/206086043.db2.gz SJQWPABZTXKMRA-KRWDZBQOSA-N 1 1 358.445 4.516 40 0 biogenic,in-vitro FJABMO CCc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC000004856948 206182218 /nfs/dbraw/zinc/18/22/18/206182218.db2.gz YDSWSSOWBIMQQI-YQQQUEKLSA-N 1 1 359.583 4.577 40 0 FJABMO CC(C)C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1Cl)C2 ZINC000004886537 206184006 /nfs/dbraw/zinc/18/40/06/206184006.db2.gz ODLCYGHWFZPPJW-MQVJKMGUSA-N 1 1 365.974 4.668 40 0 FJABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1)c1cccc(Cl)c1 ZINC000004888095 206184276 /nfs/dbraw/zinc/18/42/76/206184276.db2.gz RDPRQYOCZSATPX-AYHJJNSGSA-N 1 1 374.937 4.717 40 0 FJABMO Fc1ccc(CN2C[C@@H]3C[C@H](c4ccc(Cl)cc4)[N@H+]4CCC[C@@]34C2)cc1 ZINC000057731816 206388201 /nfs/dbraw/zinc/38/82/01/206388201.db2.gz SVFQQPZSZOXLGQ-VLCRHTCISA-N 1 1 370.899 4.891 40 0 FJABMO Fc1ccc(C[N@@H+]2C[C@@H]3C[C@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 ZINC000057731816 206388207 /nfs/dbraw/zinc/38/82/07/206388207.db2.gz SVFQQPZSZOXLGQ-VLCRHTCISA-N 1 1 370.899 4.891 40 0 FJABMO Fc1ccc(C[N@H+]2C[C@@H]3C[C@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 ZINC000057731816 206388212 /nfs/dbraw/zinc/38/82/12/206388212.db2.gz SVFQQPZSZOXLGQ-VLCRHTCISA-N 1 1 370.899 4.891 40 0 FJABMO CSc1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020043777 211266456 /nfs/dbraw/zinc/26/64/56/211266456.db2.gz HBKALLBXOQQKNQ-INIZCTEOSA-N 1 1 354.519 4.893 40 0 FJABMO COc1cccc([C@H]2CCC[N@H+]2Cc2c(C)n(C)nc2-c2ccccc2)c1 ZINC000019715872 211249414 /nfs/dbraw/zinc/24/94/14/211249414.db2.gz JIBIOKCYGBPCSE-JOCHJYFZSA-N 1 1 361.489 4.741 40 0 FJABMO Cc1c(C[N@H+]2CCC[C@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)cnn1C ZINC000019690926 211244808 /nfs/dbraw/zinc/24/48/08/211244808.db2.gz QWDCITLXTJCYGZ-DEOSSOPVSA-N 1 1 374.532 4.668 40 0 FJABMO COc1ccc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)cs2)cc1OC ZINC000019240226 211212079 /nfs/dbraw/zinc/21/20/79/211212079.db2.gz JZAVHPULKSVAJZ-MRXNPFEDSA-N 1 1 374.531 4.604 40 0 FJABMO Cc1csc([C@@H](Cc2ccsc2)[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)n1 ZINC000019240238 211211366 /nfs/dbraw/zinc/21/13/66/211211366.db2.gz CYHJYUDJHSLAKL-RDTXWAMCSA-N 1 1 370.543 4.910 40 0 FJABMO Fc1ccc(C[N@@H+]2CCC[C@H]2c2nnc(-c3nccc4ccccc43)o2)cc1 ZINC000019376478 211220732 /nfs/dbraw/zinc/22/07/32/211220732.db2.gz RCSDQZZZZHQGHH-IBGZPJMESA-N 1 1 374.419 4.761 40 0 FJABMO Fc1ccc(C[N@H+]2CCC[C@H]2c2nnc(-c3nccc4ccccc43)o2)cc1 ZINC000019376478 211220737 /nfs/dbraw/zinc/22/07/37/211220737.db2.gz RCSDQZZZZHQGHH-IBGZPJMESA-N 1 1 374.419 4.761 40 0 FJABMO Cc1cc(-c2snnc2[C@H]2CCC[N@H+](Cc3cc(C)sc3C)C2)on1 ZINC000019120743 211201023 /nfs/dbraw/zinc/20/10/23/211201023.db2.gz KLEZSDSQLDNYOJ-AWEZNQCLSA-N 1 1 374.535 4.559 40 0 FJABMO C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000019790304 220296266 /nfs/dbraw/zinc/29/62/66/220296266.db2.gz ULGPPVIOBMVUAF-QDNKXSIWSA-N 1 1 350.550 4.543 40 0 FJABMO COc1ccc(-c2cccc(C[N@@H+]3CCCC[C@@H]3CCN(C)C)c2)cc1 ZINC000057775550 221094517 /nfs/dbraw/zinc/09/45/17/221094517.db2.gz GDSSUABGLKZROX-JOCHJYFZSA-N 1 1 352.522 4.668 40 0 FJABMO COc1ccc(-c2cccc(C[N@H+]3CCCC[C@@H]3CCN(C)C)c2)cc1 ZINC000057775550 221094518 /nfs/dbraw/zinc/09/45/18/221094518.db2.gz GDSSUABGLKZROX-JOCHJYFZSA-N 1 1 352.522 4.668 40 0 FJABMO Cc1ccc(C(=O)Nc2cc([NH+]3C[C@H](C)C[C@@H](C)C3)c(C)cc2N)cc1 ZINC000216867589 132271521 /nfs/dbraw/zinc/27/15/21/132271521.db2.gz BWMNABFPYPLVMU-HZPDHXFCSA-N 1 1 351.494 4.620 40 0 FJABMO Cc1ccccc1C(=O)Nc1cc([NH+]2C[C@@H](C)C[C@H](C)C2)c(C)cc1N ZINC000216866452 132271795 /nfs/dbraw/zinc/27/17/95/132271795.db2.gz WUQMNXDSSCVRBA-GJZGRUSLSA-N 1 1 351.494 4.620 40 0 FJABMO c1ccc(CNc2cc(N3CCc4ccccc4C3)nc(C3CC3)[nH+]2)cc1 ZINC000328979167 132372037 /nfs/dbraw/zinc/37/20/37/132372037.db2.gz GDOMKKNRIYCXHT-UHFFFAOYSA-N 1 1 356.473 4.529 40 0 FJABMO c1ccc(CNc2cc(N3CCc4ccccc4C3)[nH+]c(C3CC3)n2)cc1 ZINC000328979167 132372038 /nfs/dbraw/zinc/37/20/38/132372038.db2.gz GDOMKKNRIYCXHT-UHFFFAOYSA-N 1 1 356.473 4.529 40 0 FJABMO Clc1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]c(C3CC3)n1)C2 ZINC000329002787 132372447 /nfs/dbraw/zinc/37/24/47/132372447.db2.gz KJBSKBLTZCQXCU-UHFFFAOYSA-N 1 1 368.912 4.925 40 0 FJABMO Clc1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C3CC3)[nH+]1)C2 ZINC000329002787 132372448 /nfs/dbraw/zinc/37/24/48/132372448.db2.gz KJBSKBLTZCQXCU-UHFFFAOYSA-N 1 1 368.912 4.925 40 0 FJABMO O=C(Nc1ccccc1)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096089461 222020168 /nfs/dbraw/zinc/02/01/68/222020168.db2.gz OTDVIMPNVSQIBT-OAQYLSRUSA-N 1 1 369.896 4.612 40 0 FJABMO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000008560149 263355797 /nfs/dbraw/zinc/35/57/97/263355797.db2.gz RJQGLVKBKBQJEN-CHWSQXEVSA-N 1 1 363.914 4.665 40 0 FJABMO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000008560146 263355936 /nfs/dbraw/zinc/35/59/36/263355936.db2.gz RJQGLVKBKBQJEN-STQMWFEESA-N 1 1 363.914 4.665 40 0 FJABMO CC1=C[C@@H](C[NH2+]CC(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2ccncc2[nH]1 ZINC000072320833 560077087 /nfs/dbraw/zinc/07/70/87/560077087.db2.gz ZWQSQNCXZBFYLO-FHWLQOOXSA-N 1 1 354.542 4.601 40 0 biogenic,in-vitro FJABMO CC1=C[C@@H](C[NH2+]CC(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 ZINC000072320833 560077089 /nfs/dbraw/zinc/07/70/89/560077089.db2.gz ZWQSQNCXZBFYLO-FHWLQOOXSA-N 1 1 354.542 4.601 40 0 biogenic,in-vitro FJABMO Cc1noc(C)c1-c1cncc([C@H]2CCC[N@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000585260825 570480435 /nfs/dbraw/zinc/48/04/35/570480435.db2.gz MWRWDDUGOYJGON-OAQYLSRUSA-N 1 1 373.460 4.567 40 0 FJABMO C[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215636 570527730 /nfs/dbraw/zinc/52/77/30/570527730.db2.gz IKRPWWDGVQMLJL-SFHVURJKSA-N 1 1 359.514 4.923 40 0 FJABMO OCc1ccc(-c2cccc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)cc1 ZINC000072348688 570546219 /nfs/dbraw/zinc/54/62/19/570546219.db2.gz HSJSZYLRSQFNTP-HSZRJFAPSA-N 1 1 372.512 4.663 40 0 FJABMO OCc1ccc(-c2cccc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)cc1 ZINC000072348687 570546257 /nfs/dbraw/zinc/54/62/57/570546257.db2.gz HSJSZYLRSQFNTP-QHCPKHFHSA-N 1 1 372.512 4.663 40 0 FJABMO COc1cc2c3c(c1OC)-c1[nH]c4ccccc4c1[C@H]1CCC[N@@H+](CC2)[C@H]31 ZINC000005554550 570630790 /nfs/dbraw/zinc/63/07/90/570630790.db2.gz JSWHPWDJHXROFD-QRQCRPRQSA-N 1 1 360.457 4.642 40 0 FJABMO CCCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C13CC4CC(CC(C4)C1)C3)C2 ZINC000004888130 570672509 /nfs/dbraw/zinc/67/25/09/570672509.db2.gz AZZGXBSBHMXPPG-JEPFWEBQSA-N 1 1 358.570 4.505 40 0 FJABMO CCc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccco1 ZINC000004888023 570672671 /nfs/dbraw/zinc/67/26/71/570672671.db2.gz USTOUUZXGBUVQB-YQQQUEKLSA-N 1 1 367.493 4.549 40 0 FJABMO Cc1cc(C)c2cc(CNc3ccc([NH+]4CCCCC4)cc3)c(=O)[nH]c2c1 ZINC000012088263 570717760 /nfs/dbraw/zinc/71/77/60/570717760.db2.gz MPBARIIQXWQNPQ-UHFFFAOYSA-N 1 1 361.489 4.747 40 0 FJABMO COCCC[N@@H+](CC1(c2ccc(Cl)cc2)CC1)[C@@H](C)c1ccccn1 ZINC000012364482 570739201 /nfs/dbraw/zinc/73/92/01/570739201.db2.gz MBWFCUSAWYWLEQ-KRWDZBQOSA-N 1 1 358.913 4.866 40 0 FJABMO COCCC[N@@H+](CC1(c2ccc(Cl)cc2)CC1)[C@H](C)c1ccccn1 ZINC000012364484 570739281 /nfs/dbraw/zinc/73/92/81/570739281.db2.gz MBWFCUSAWYWLEQ-QGZVFWFLSA-N 1 1 358.913 4.866 40 0 FJABMO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)c1C ZINC000019234993 570883040 /nfs/dbraw/zinc/88/30/40/570883040.db2.gz GVDKEAARUPLPPA-LJQANCHMSA-N 1 1 350.466 4.717 40 0 FJABMO COc1cccc(C[NH2+][C@H](Cc2ccsc2)c2ncccc2C)c1OC ZINC000019237648 570883488 /nfs/dbraw/zinc/88/34/88/570883488.db2.gz YMZODYJPHJAWJW-GOSISDBHSA-N 1 1 368.502 4.542 40 0 FJABMO Cc1noc(-c2cn[nH]c2[C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)c1C ZINC000019558084 570893024 /nfs/dbraw/zinc/89/30/24/570893024.db2.gz TWHMSVVCNMUREH-QGZVFWFLSA-N 1 1 356.857 4.672 40 0 FJABMO Cc1noc(-c2cn[nH]c2[C@H]2CCC[N@H+]2Cc2cccc(Cl)c2)c1C ZINC000019558084 570893026 /nfs/dbraw/zinc/89/30/26/570893026.db2.gz TWHMSVVCNMUREH-QGZVFWFLSA-N 1 1 356.857 4.672 40 0 FJABMO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1C ZINC000019557950 570893307 /nfs/dbraw/zinc/89/33/07/570893307.db2.gz DOHQHWHAIXJTPI-GOSISDBHSA-N 1 1 354.429 4.548 40 0 FJABMO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1C ZINC000019557950 570893310 /nfs/dbraw/zinc/89/33/10/570893310.db2.gz DOHQHWHAIXJTPI-GOSISDBHSA-N 1 1 354.429 4.548 40 0 FJABMO COc1cc(C)c(C[NH2+][C@H](Cc2cccs2)c2nccs2)cc1C ZINC000019567402 570894290 /nfs/dbraw/zinc/89/42/90/570894290.db2.gz MNNPQOJOAIVGDY-QGZVFWFLSA-N 1 1 358.532 4.904 40 0 FJABMO Cc1[nH]c2ccc(F)cc2c1[C@H](O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000019581404 570895139 /nfs/dbraw/zinc/89/51/39/570895139.db2.gz MSHAKHSQENXAFY-OAQYLSRUSA-N 1 1 368.427 4.577 40 0 FJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)C1 ZINC000020492557 570918623 /nfs/dbraw/zinc/91/86/23/570918623.db2.gz QXEUMZNBRMQWHN-FDDCHVKYSA-N 1 1 362.517 4.726 40 0 FJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000224977809 571008356 /nfs/dbraw/zinc/00/83/56/571008356.db2.gz ZGFKXMGJHQKLIZ-HSZRJFAPSA-N 1 1 364.533 4.667 40 0 FJABMO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220799 571027671 /nfs/dbraw/zinc/02/76/71/571027671.db2.gz TYUKMOPIVKYLJJ-OAHLLOKOSA-N 1 1 363.288 4.844 40 0 FJABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1C ZINC000225574677 571046755 /nfs/dbraw/zinc/04/67/55/571046755.db2.gz LPPUVZYAFKDPOK-UHFFFAOYSA-N 1 1 374.887 4.947 40 0 FJABMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030938642 571052949 /nfs/dbraw/zinc/05/29/49/571052949.db2.gz CNWAKTILVDNPGX-HNNXBMFYSA-N 1 1 363.288 4.844 40 0 FJABMO Cc1cc([C@@H]2CCCCC[N@@H+]2C[C@@H](C)Cc2ccc3c(c2)OCO3)no1 ZINC000036719009 571081279 /nfs/dbraw/zinc/08/12/79/571081279.db2.gz QKSRVUXJRJEXMU-KXBFYZLASA-N 1 1 356.466 4.508 40 0 FJABMO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000038833399 571087216 /nfs/dbraw/zinc/08/72/16/571087216.db2.gz MMTZZBNAMWUZQO-SFHVURJKSA-N 1 1 356.897 4.808 40 0 FJABMO CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038834336 571087275 /nfs/dbraw/zinc/08/72/75/571087275.db2.gz JOIQHIGMNHQIGG-QGZVFWFLSA-N 1 1 372.896 4.589 40 0 FJABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1C ZINC000038833586 571087298 /nfs/dbraw/zinc/08/72/98/571087298.db2.gz VYSOUZUDKWQTDK-SFHVURJKSA-N 1 1 356.897 4.808 40 0 FJABMO CCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038835265 571087880 /nfs/dbraw/zinc/08/78/80/571087880.db2.gz JBFLJYAULQGANJ-SFHVURJKSA-N 1 1 356.897 4.753 40 0 FJABMO CCc1cccc(CC)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038856214 571088300 /nfs/dbraw/zinc/08/83/00/571088300.db2.gz QNFDNAPVAVCKIE-HXUWFJFHSA-N 1 1 368.496 4.801 40 0 FJABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cc(C)c(O)c(C)c2)s1 ZINC000043277889 571100037 /nfs/dbraw/zinc/10/00/37/571100037.db2.gz KKAYBQMZSNGQBR-UHFFFAOYSA-N 1 1 369.534 4.668 40 0 FJABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cc(F)ccc2F)s1 ZINC000043277878 571100301 /nfs/dbraw/zinc/10/03/01/571100301.db2.gz MMLFJPUYDSEOCT-UHFFFAOYSA-N 1 1 361.461 4.624 40 0 FJABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(F)cc1 ZINC000044933994 571105287 /nfs/dbraw/zinc/10/52/87/571105287.db2.gz VMPBYCBCKDQCOV-CRAIPNDOSA-N 1 1 374.887 4.569 40 0 FJABMO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(C)cc1 ZINC000044935698 571105372 /nfs/dbraw/zinc/10/53/72/571105372.db2.gz QPKWTDWYEPBHIU-IRLDBZIGSA-N 1 1 368.496 4.614 40 0 FJABMO CC[C@H](C)Nc1nc(N2Cc3ccccc3CC2(C)C)cc(C(C)C)[nH+]1 ZINC000328989101 571106335 /nfs/dbraw/zinc/10/63/35/571106335.db2.gz IIWHDARMTWBMSX-INIZCTEOSA-N 1 1 352.526 4.574 40 0 FJABMO Cc1csc([C@H](Cc2cccs2)[NH2+]Cc2cc3c(cc2C)OCO3)n1 ZINC000072341766 571179549 /nfs/dbraw/zinc/17/95/49/571179549.db2.gz VHFCFRKXNOJQNI-INIZCTEOSA-N 1 1 372.515 4.624 40 0 FJABMO COc1ccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)cc1 ZINC000072348808 571180195 /nfs/dbraw/zinc/18/01/95/571180195.db2.gz XPGFEMDKXVPLKT-HXUWFJFHSA-N 1 1 359.473 4.532 40 0 FJABMO Fc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072348853 571180513 /nfs/dbraw/zinc/18/05/13/571180513.db2.gz SFLHXKNHWLPAAR-HXUWFJFHSA-N 1 1 361.464 4.586 40 0 FJABMO COc1ccccc1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072348927 571180553 /nfs/dbraw/zinc/18/05/53/571180553.db2.gz KKNMOCCHVIFDGZ-GOSISDBHSA-N 1 1 359.473 4.532 40 0 FJABMO COc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072358351 571183511 /nfs/dbraw/zinc/18/35/11/571183511.db2.gz OCGAJTNBGDKYBB-IBGZPJMESA-N 1 1 359.473 4.532 40 0 FJABMO Clc1cccc(-c2cncc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072359435 571184139 /nfs/dbraw/zinc/18/41/39/571184139.db2.gz CAKGHPPIOPNQPF-QGZVFWFLSA-N 1 1 364.880 4.572 40 0 FJABMO Cc1c(C[N@H+]2CCC[C@H]2c2cc(Cc3ccccc3C)cc(C)n2)cnn1C ZINC000072372452 571185423 /nfs/dbraw/zinc/18/54/23/571185423.db2.gz FEHVLNLSJWBTTG-DEOSSOPVSA-N 1 1 374.532 4.668 40 0 FJABMO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)n1 ZINC000072375104 571185442 /nfs/dbraw/zinc/18/54/42/571185442.db2.gz OZFFTBSOIXIZSJ-HXUWFJFHSA-N 1 1 359.477 4.569 40 0 FJABMO CCC[N@H+]1CC[C@]2(c3ccccc3)CCc3ncc(-c4ccccc4)n3C[C@H]12 ZINC000306129146 571213457 /nfs/dbraw/zinc/21/34/57/571213457.db2.gz HVRMBGCKDGCSBG-ZCYQVOJMSA-N 1 1 371.528 4.919 40 0 FJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)C1 ZINC000252186452 571291464 /nfs/dbraw/zinc/29/14/64/571291464.db2.gz QXEUMZNBRMQWHN-MBSDFSHPSA-N 1 1 362.517 4.726 40 0 FJABMO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000015836725 571353418 /nfs/dbraw/zinc/35/34/18/571353418.db2.gz DNSRMGQVMZILBK-KRWDZBQOSA-N 1 1 361.869 4.703 40 0 FJABMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000015836725 571353419 /nfs/dbraw/zinc/35/34/19/571353419.db2.gz DNSRMGQVMZILBK-KRWDZBQOSA-N 1 1 361.869 4.703 40 0 FJABMO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCC2)cc1O ZINC000000904185 219339133 /nfs/dbraw/zinc/33/91/33/219339133.db2.gz VMHTVMPKVAILOW-UHFFFAOYSA-N 1 1 357.841 4.723 40 0 FJABMO Cc1noc(C)c1-c1cncc([C@H]2CCC[N@H+]2Cc2c[nH]c3ccccc23)n1 ZINC000257264182 223043071 /nfs/dbraw/zinc/04/30/71/223043071.db2.gz LTGDBMFSNIFRGU-OAQYLSRUSA-N 1 1 373.460 4.567 40 0 FJABMO COc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=[NH+]CCCC2)cc1 ZINC000007275507 204292573 /nfs/dbraw/zinc/29/25/73/204292573.db2.gz VWTJBXKOZQTQEP-UHFFFAOYSA-N 1 1 356.853 4.620 40 0 FJABMO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000038833395 205042356 /nfs/dbraw/zinc/04/23/56/205042356.db2.gz NCCQMHSMYRWYOQ-SFHVURJKSA-N 1 1 356.897 4.808 40 0 FJABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1C ZINC000038833589 205042709 /nfs/dbraw/zinc/04/27/09/205042709.db2.gz ACEWWXCHRVKIBM-GOSISDBHSA-N 1 1 356.897 4.808 40 0 FJABMO Cc1cc(C)cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000038833526 205043198 /nfs/dbraw/zinc/04/31/98/205043198.db2.gz GTQNAWOBWQJBDB-GOSISDBHSA-N 1 1 356.897 4.808 40 0 FJABMO c1csc(CN[C@H]2CC3(CC[NH+](CC4CC4)CC3)Oc3ccccc32)c1 ZINC000096242806 205863674 /nfs/dbraw/zinc/86/36/74/205863674.db2.gz OYRSVIVAVREDKG-FQEVSTJZSA-N 1 1 368.546 4.606 40 0 FJABMO COc1cccc(-c2[nH+]c3cc(C)ccn3c2NC2CCCC2)c1OC ZINC000000881977 206137928 /nfs/dbraw/zinc/13/79/28/206137928.db2.gz QQGBKQAYTSLZCK-UHFFFAOYSA-N 1 1 351.450 4.681 40 0 FJABMO COc1ccc(CNc2c(-c3ccc(O)cc3)[nH+]c3cccc(C)n32)cc1 ZINC000004848471 206180885 /nfs/dbraw/zinc/18/08/85/206180885.db2.gz ONSBQUQLSBFXRV-UHFFFAOYSA-N 1 1 359.429 4.636 40 0 FJABMO CC(C)c1[nH+]ccn1CCCn1cncc1-c1cnn(C2CCCCC2)c1 ZINC000019719960 211251813 /nfs/dbraw/zinc/25/18/13/211251813.db2.gz MJGMGUBOIPGKLM-UHFFFAOYSA-N 1 1 366.513 4.662 40 0 FJABMO COc1cc(C)c(C[NH2+][C@H](Cc2ccsc2)c2nccs2)cc1C ZINC000019567407 211236026 /nfs/dbraw/zinc/23/60/26/211236026.db2.gz ADRANSXSDSXIRP-QGZVFWFLSA-N 1 1 358.532 4.904 40 0 FJABMO COc1cccc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)c(C)s2)c1 ZINC000019559907 211232479 /nfs/dbraw/zinc/23/24/79/211232479.db2.gz WKCNQITWJZWMEK-SFHVURJKSA-N 1 1 358.532 4.904 40 0 FJABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000019081788 211202003 /nfs/dbraw/zinc/20/20/03/211202003.db2.gz RFSHXPJKQABFBM-CTNGQTDRSA-N 1 1 371.569 4.577 40 0 FJABMO O=C(C[NH+]1CCCCCC1)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000016740510 211167966 /nfs/dbraw/zinc/16/79/66/211167966.db2.gz QGODMGUUDZKXGO-UHFFFAOYSA-N 1 1 365.502 4.778 40 0 FJABMO CCOc1ccc(C[NH2+][C@@H](Cc2cccs2)c2nccs2)cc1OC ZINC000019533943 220269368 /nfs/dbraw/zinc/26/93/68/220269368.db2.gz FCZLZLHHJQULAJ-INIZCTEOSA-N 1 1 374.531 4.686 40 0 FJABMO COc1cc2cccnc2c(NCCC[N@@H+](CC(C)C)C2CCCC2)c1 ZINC000001653255 210363906 /nfs/dbraw/zinc/36/39/06/210363906.db2.gz JEVOQAANQNDQAF-UHFFFAOYSA-N 1 1 355.526 4.946 40 0 FJABMO Cc1nc(NC2CCCCC2)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000329006332 132372421 /nfs/dbraw/zinc/37/24/21/132372421.db2.gz LDIHYLQSWUDVRH-UHFFFAOYSA-N 1 1 350.510 4.871 40 0 FJABMO CCOc1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000020042843 521396985 /nfs/dbraw/zinc/39/69/85/521396985.db2.gz RCEGAIOLQALXDZ-QGZVFWFLSA-N 1 1 352.478 4.570 40 0 FJABMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000216277454 568116128 /nfs/dbraw/zinc/11/61/28/568116128.db2.gz GDTNVMDIOZZKDY-RTBURBONSA-N 1 1 350.506 4.718 40 0 FJABMO Clc1cccc(CN2CCC[C@@]23CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000096214652 570479622 /nfs/dbraw/zinc/47/96/22/570479622.db2.gz SIYWCZUMGLFFJI-JOCHJYFZSA-N 1 1 354.925 4.971 40 0 FJABMO Clc1cccc(C[N@@H+]2CCC[C@@]23CCCN(Cc2ccccc2)C3)c1 ZINC000096214652 570479624 /nfs/dbraw/zinc/47/96/24/570479624.db2.gz SIYWCZUMGLFFJI-JOCHJYFZSA-N 1 1 354.925 4.971 40 0 FJABMO Clc1cccc(C[N@H+]2CCC[C@@]23CCCN(Cc2ccccc2)C3)c1 ZINC000096214652 570479626 /nfs/dbraw/zinc/47/96/26/570479626.db2.gz SIYWCZUMGLFFJI-JOCHJYFZSA-N 1 1 354.925 4.971 40 0 FJABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215341 570530855 /nfs/dbraw/zinc/53/08/55/570530855.db2.gz GYMCZHUKNAIDHB-SFHVURJKSA-N 1 1 359.514 4.923 40 0 FJABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215518 570532076 /nfs/dbraw/zinc/53/20/76/570532076.db2.gz DSYQPTACRWJYBV-GOSISDBHSA-N 1 1 359.514 4.923 40 0 FJABMO C[C@@H]1C[N@@H+](CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C(C)(C)C1 ZINC000004411230 570590178 /nfs/dbraw/zinc/59/01/78/570590178.db2.gz URSAPVYAZIFTPK-JBACZVJFSA-N 1 1 355.522 4.790 40 0 FJABMO Cc1cc2cc(CNc3ccc([NH+]4CCCCC4)cc3)c(=O)[nH]c2cc1C ZINC000012088262 570717525 /nfs/dbraw/zinc/71/75/25/570717525.db2.gz LROOSISJGOHPNF-UHFFFAOYSA-N 1 1 361.489 4.747 40 0 FJABMO CC(C)Oc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)cc1 ZINC000012128748 570720613 /nfs/dbraw/zinc/72/06/13/570720613.db2.gz BGQBPEKBXHMWQG-FCHUYYIVSA-N 1 1 361.489 4.580 40 0 FJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccncc3)on2)cc1 ZINC000012120300 570720855 /nfs/dbraw/zinc/72/08/55/570720855.db2.gz DBRFBDGGQNCFGX-OAQYLSRUSA-N 1 1 363.461 4.863 40 0 FJABMO Fc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3cccnc3)no2)cc1 ZINC000012143940 570722115 /nfs/dbraw/zinc/72/21/15/570722115.db2.gz BFRNSHOFAWFGSK-FQEVSTJZSA-N 1 1 351.425 4.993 40 0 FJABMO Fc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3cccnc3)no2)cc1 ZINC000012143940 570722122 /nfs/dbraw/zinc/72/21/22/570722122.db2.gz BFRNSHOFAWFGSK-FQEVSTJZSA-N 1 1 351.425 4.993 40 0 FJABMO C/C(=C\c1ccccc1)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 ZINC000012219343 570728134 /nfs/dbraw/zinc/72/81/34/570728134.db2.gz DGUDXKJGXWCLQR-IFXJYEMKSA-N 1 1 351.465 4.744 40 0 FJABMO COc1ccccc1/C=C/C[NH2+][C@H](Cc1ccsc1)c1nccs1 ZINC000012330136 570737174 /nfs/dbraw/zinc/73/71/74/570737174.db2.gz MPNZBCHGDHFMNZ-UKINESCASA-N 1 1 356.516 4.800 40 0 FJABMO COc1ccccc1C[NH2+][C@H](Cc1ccsc1)c1nc(C)c(C)s1 ZINC000019559931 570893197 /nfs/dbraw/zinc/89/31/97/570893197.db2.gz KAYQTZSNUTZANS-QGZVFWFLSA-N 1 1 358.532 4.904 40 0 FJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)C1 ZINC000020106184 570909938 /nfs/dbraw/zinc/90/99/38/570909938.db2.gz QKVUZXWSMOOBHG-AWEZNQCLSA-N 1 1 360.860 4.963 40 0 FJABMO CC(C)Oc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020460295 570917018 /nfs/dbraw/zinc/91/70/18/570917018.db2.gz VJBAIYKFOZFDOZ-SFHVURJKSA-N 1 1 366.505 4.958 40 0 FJABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2F)cc1 ZINC000005254874 570955877 /nfs/dbraw/zinc/95/58/77/570955877.db2.gz WGYUNJBUDLXZGQ-PUHATCMVSA-N 1 1 369.480 4.703 40 0 FJABMO O=C(Nc1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221094 571027867 /nfs/dbraw/zinc/02/78/67/571027867.db2.gz MRKUUMRIUUNSFV-HNNXBMFYSA-N 1 1 363.288 4.844 40 0 FJABMO CCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220653 571028012 /nfs/dbraw/zinc/02/80/12/571028012.db2.gz RPILTHHQYJLIRL-SFHVURJKSA-N 1 1 356.897 4.753 40 0 FJABMO CCc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225574724 571046709 /nfs/dbraw/zinc/04/67/09/571046709.db2.gz YUBIADPJUHDZTL-UHFFFAOYSA-N 1 1 374.887 4.892 40 0 FJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(C)c(Cl)c1 ZINC000225581558 571047009 /nfs/dbraw/zinc/04/70/09/571047009.db2.gz IPEBYHSGADTIFA-INIZCTEOSA-N 1 1 353.963 4.589 40 0 FJABMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(C)CCCC2)cc1 ZINC000225597455 571048246 /nfs/dbraw/zinc/04/82/46/571048246.db2.gz MACYHVTYEPJZJL-SFHVURJKSA-N 1 1 358.526 4.849 40 0 FJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)C1 ZINC000030753995 571049477 /nfs/dbraw/zinc/04/94/77/571049477.db2.gz DWLPAZDLNKXQBO-QGZVFWFLSA-N 1 1 370.924 4.844 40 0 FJABMO O=C(NC1CCCCCCC1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000030944020 571053378 /nfs/dbraw/zinc/05/33/78/571053378.db2.gz AFOYZJURLHQKKB-SFHVURJKSA-N 1 1 362.945 4.781 40 0 FJABMO Cc1cc([C@@H]2CCCCC[N@@H+]2C[C@@H](C)Cc2ccc3c(c2)OCO3)on1 ZINC000036718940 571080912 /nfs/dbraw/zinc/08/09/12/571080912.db2.gz OSKRHTGOPLSZQM-YJBOKZPZSA-N 1 1 356.466 4.508 40 0 FJABMO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000038833394 571087358 /nfs/dbraw/zinc/08/73/58/571087358.db2.gz NCCQMHSMYRWYOQ-GOSISDBHSA-N 1 1 356.897 4.808 40 0 FJABMO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000257244044 571153597 /nfs/dbraw/zinc/15/35/97/571153597.db2.gz IJPOTLFUYYOACM-HXUWFJFHSA-N 1 1 373.460 4.567 40 0 FJABMO OCc1ccc(-c2cccc([C@H]3CCC[N@H+](C4CCCCC4)C3)n2)cc1 ZINC000072348538 571179933 /nfs/dbraw/zinc/17/99/33/571179933.db2.gz SDKVGFRRCZJEQO-FQEVSTJZSA-N 1 1 350.506 4.753 40 0 FJABMO COc1cccc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348807 571180356 /nfs/dbraw/zinc/18/03/56/571180356.db2.gz PKQRDXMJEWTRQN-FQEVSTJZSA-N 1 1 359.473 4.532 40 0 FJABMO COc1ccccc1-c1cccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072348928 571180674 /nfs/dbraw/zinc/18/06/74/571180674.db2.gz KKNMOCCHVIFDGZ-SFHVURJKSA-N 1 1 359.473 4.532 40 0 FJABMO Fc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072348942 571180682 /nfs/dbraw/zinc/18/06/82/571180682.db2.gz FPPQYDHVIICLTM-LJQANCHMSA-N 1 1 361.464 4.586 40 0 FJABMO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(Cc3cccc(C)c3)n2)C1 ZINC000072350288 571181770 /nfs/dbraw/zinc/18/17/70/571181770.db2.gz RJSSNBORIIWTLC-OAQYLSRUSA-N 1 1 374.532 4.577 40 0 FJABMO CCn1ccnc1C[N@H+]1CCC[C@@H](c2cccc(Cc3cccc(C)c3)n2)C1 ZINC000072350288 571181771 /nfs/dbraw/zinc/18/17/71/571181771.db2.gz RJSSNBORIIWTLC-OAQYLSRUSA-N 1 1 374.532 4.577 40 0 FJABMO Clc1ccccc1Cc1cccc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072358161 571183259 /nfs/dbraw/zinc/18/32/59/571183259.db2.gz XXUDICWLNLEGHV-OAQYLSRUSA-N 1 1 356.897 4.642 40 0 FJABMO COc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000072358337 571183484 /nfs/dbraw/zinc/18/34/84/571183484.db2.gz QNPQJTPHNFQPMB-KRWDZBQOSA-N 1 1 351.494 4.664 40 0 FJABMO COc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000072358352 571183506 /nfs/dbraw/zinc/18/35/06/571183506.db2.gz IHCWGRSJKDNONN-HXUWFJFHSA-N 1 1 359.473 4.532 40 0 FJABMO Clc1cccc(-c2cncc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072359434 571184213 /nfs/dbraw/zinc/18/42/13/571184213.db2.gz CAKGHPPIOPNQPF-KRWDZBQOSA-N 1 1 364.880 4.572 40 0 FJABMO Clc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2ncccn2)n1 ZINC000072375113 571185420 /nfs/dbraw/zinc/18/54/20/571185420.db2.gz JLLTYITXWHPEQA-GOSISDBHSA-N 1 1 365.868 4.606 40 0 FJABMO Clc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(Nc2ncccn2)n1 ZINC000072375113 571185421 /nfs/dbraw/zinc/18/54/21/571185421.db2.gz JLLTYITXWHPEQA-GOSISDBHSA-N 1 1 365.868 4.606 40 0 FJABMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3ncccn3)n2)cc1C ZINC000072375797 571185674 /nfs/dbraw/zinc/18/56/74/571185674.db2.gz NEUPZJBLTYHRNP-HXUWFJFHSA-N 1 1 359.477 4.569 40 0 FJABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)o2)s1 ZINC000072390093 571189552 /nfs/dbraw/zinc/18/95/52/571189552.db2.gz JVUZSILBIQMLPX-OAHLLOKOSA-N 1 1 357.454 4.625 40 0 FJABMO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+](Cc4ccccc4F)C3)o2)s1 ZINC000072390092 571189629 /nfs/dbraw/zinc/18/96/29/571189629.db2.gz HMUYDNZUYYWMCB-HNNXBMFYSA-N 1 1 357.454 4.625 40 0 FJABMO C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000044912832 571306216 /nfs/dbraw/zinc/30/62/16/571306216.db2.gz SVAWLAPZEJNREM-LPHOPBHVSA-N 1 1 368.908 4.530 40 0 FJABMO O=C(CN(c1ccccc1)C1=[NH+]CCCCC1)c1ccc(OC(F)F)cc1 ZINC000008436119 210098379 /nfs/dbraw/zinc/09/83/79/210098379.db2.gz RCUQOXBHKSVWOK-UHFFFAOYSA-N 1 1 372.415 4.950 40 0 FJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)C1 ZINC000224332613 222812440 /nfs/dbraw/zinc/81/24/40/222812440.db2.gz KVRIDOIUOUDRIC-KRWDZBQOSA-N 1 1 370.924 4.544 40 0 FJABMO Fc1ccc(Cc2ccc([C@@H]3CCCC[N@@H+]3Cc3ccccn3)cn2)cc1 ZINC000257207709 223020626 /nfs/dbraw/zinc/02/06/26/223020626.db2.gz BIWREUUMNWEEDD-QHCPKHFHSA-N 1 1 361.464 4.934 40 0 FJABMO Fc1ccc(Cc2ccc([C@@H]3CCCC[N@H+]3Cc3ccccn3)cn2)cc1 ZINC000257207709 223020628 /nfs/dbraw/zinc/02/06/28/223020628.db2.gz BIWREUUMNWEEDD-QHCPKHFHSA-N 1 1 361.464 4.934 40 0 FJABMO Cc1ccc(C[N@H+]2CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)C2)cc1 ZINC000035446713 204283040 /nfs/dbraw/zinc/28/30/40/204283040.db2.gz QFOFLCNRHOWJKC-HNNXBMFYSA-N 1 1 359.395 4.880 40 0 biogenic,in-vitro FJABMO Cc1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1 ZINC000035446713 204283044 /nfs/dbraw/zinc/28/30/44/204283044.db2.gz QFOFLCNRHOWJKC-HNNXBMFYSA-N 1 1 359.395 4.880 40 0 biogenic,in-vitro FJABMO Cc1ccc(C[N@H+]2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1 ZINC000035446713 204283048 /nfs/dbraw/zinc/28/30/48/204283048.db2.gz QFOFLCNRHOWJKC-HNNXBMFYSA-N 1 1 359.395 4.880 40 0 biogenic,in-vitro FJABMO CCOc1ccc(C(=O)CN(c2ccccc2C)C2=[NH+]CCCC2)cc1 ZINC000006870333 204278343 /nfs/dbraw/zinc/27/83/43/204278343.db2.gz XEZXJXDJNIOWMQ-UHFFFAOYSA-N 1 1 350.462 4.665 40 0 FJABMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044934854 205116658 /nfs/dbraw/zinc/11/66/58/205116658.db2.gz YWLNRFLHNUCKAM-AZUAARDMSA-N 1 1 368.496 4.532 40 0 FJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000013674033 220083597 /nfs/dbraw/zinc/08/35/97/220083597.db2.gz MHPNFTJMVGDIIC-QFIPXVFZSA-N 1 1 350.506 4.738 40 0 FJABMO Fc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cccc2ncccc12 ZINC000043277834 205102858 /nfs/dbraw/zinc/10/28/58/205102858.db2.gz CXAYWYPIOWSWIR-UHFFFAOYSA-N 1 1 374.463 4.663 40 0 FJABMO Cc1ccsc1C[N@@H+](CCCO)Cc1ccc2cccc(Cl)c2n1 ZINC000013997376 220101174 /nfs/dbraw/zinc/10/11/74/220101174.db2.gz NOIXEQUSKOXZAJ-UHFFFAOYSA-N 1 1 360.910 4.643 40 0 FJABMO CC(C)(C)n1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc(F)cc2)c1 ZINC000014001560 206307372 /nfs/dbraw/zinc/30/73/72/206307372.db2.gz IDQUYRLKDSSECS-UHFFFAOYSA-N 1 1 368.500 4.671 40 0 FJABMO COc1cccc(-c2ccc(C[N@@H+](C)CCCn3nc(C)cc3C)cc2)c1 ZINC000019719779 211251597 /nfs/dbraw/zinc/25/15/97/211251597.db2.gz QLEMTNJXWFTRCZ-UHFFFAOYSA-N 1 1 363.505 4.698 40 0 FJABMO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 ZINC000019583852 211238800 /nfs/dbraw/zinc/23/88/00/211238800.db2.gz VZJTUEDUXLALDI-HXUWFJFHSA-N 1 1 368.456 4.640 40 0 FJABMO Cc1nn(C)cc1C[N@H+]1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 ZINC000019583852 211238804 /nfs/dbraw/zinc/23/88/04/211238804.db2.gz VZJTUEDUXLALDI-HXUWFJFHSA-N 1 1 368.456 4.640 40 0 FJABMO Cc1nn(C)cc1C[N@H+]1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)no1 ZINC000019583835 211236900 /nfs/dbraw/zinc/23/69/00/211236900.db2.gz KNHJGEQYBMRCAQ-HXUWFJFHSA-N 1 1 368.456 4.640 40 0 FJABMO C[C@@H](C[N@@H+](C)Cc1c2cccnc2[nH]c1C1CCOCC1)c1ccccc1 ZINC000019455969 211223227 /nfs/dbraw/zinc/22/32/27/211223227.db2.gz TTWYRXKUCDNSBF-KRWDZBQOSA-N 1 1 363.505 4.692 40 0 FJABMO COc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)c(C)s2)cc1 ZINC000019559893 211232751 /nfs/dbraw/zinc/23/27/51/211232751.db2.gz YAUDJTQUKXOPPD-SFHVURJKSA-N 1 1 358.532 4.904 40 0 FJABMO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)c1C ZINC000019234994 211210338 /nfs/dbraw/zinc/21/03/38/211210338.db2.gz GVDKEAARUPLPPA-IBGZPJMESA-N 1 1 350.466 4.717 40 0 FJABMO Cc1cccnc1[C@@H](Cc1ccsc1)[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000019237631 211209630 /nfs/dbraw/zinc/20/96/30/211209630.db2.gz XWRUEOFVPQKUSQ-QGZVFWFLSA-N 1 1 354.523 4.546 40 0 FJABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000019081795 211202603 /nfs/dbraw/zinc/20/26/03/211202603.db2.gz RFSHXPJKQABFBM-PZJWPPBQSA-N 1 1 371.569 4.577 40 0 FJABMO C[C@@H]1Cc2ccccc2CN1c1cc(NCc2ccccc2)[nH+]c(C2CC2)n1 ZINC000329029109 132372884 /nfs/dbraw/zinc/37/28/84/132372884.db2.gz PXKDRJAIYJQIAJ-QGZVFWFLSA-N 1 1 370.500 4.917 40 0 FJABMO C[C@@H]1Cc2ccccc2CN1c1cc(NCc2ccccc2)nc(C2CC2)[nH+]1 ZINC000329029109 132372885 /nfs/dbraw/zinc/37/28/85/132372885.db2.gz PXKDRJAIYJQIAJ-QGZVFWFLSA-N 1 1 370.500 4.917 40 0 FJABMO CC(C)c1nc(NC2CCCC2)cc(N2Cc3ccccc3C[C@H]2C)[nH+]1 ZINC000329068614 132373338 /nfs/dbraw/zinc/37/33/38/132373338.db2.gz YRHGGXGKULBSDU-MRXNPFEDSA-N 1 1 350.510 4.906 40 0 FJABMO Fc1cccc(Cc2ccc([C@H]3CCCC[N@@H+]3Cc3ccccn3)cn2)c1 ZINC000257210601 534520137 /nfs/dbraw/zinc/52/01/37/534520137.db2.gz BVIGFVIALWBCKR-HSZRJFAPSA-N 1 1 361.464 4.934 40 0 FJABMO Fc1cccc(Cc2ccc([C@H]3CCCC[N@H+]3Cc3ccccn3)cn2)c1 ZINC000257210601 534520150 /nfs/dbraw/zinc/52/01/50/534520150.db2.gz BVIGFVIALWBCKR-HSZRJFAPSA-N 1 1 361.464 4.934 40 0 FJABMO C[C@@H]1C[N@@H+](Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C[C@H](C)O1 ZINC000216840088 568145585 /nfs/dbraw/zinc/14/55/85/568145585.db2.gz SPFVSBDBQFOZNE-OKILXGFUSA-N 1 1 356.853 4.757 40 0 FJABMO C[C@@H]1C[N@H+](Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C[C@H](C)O1 ZINC000216840088 568145587 /nfs/dbraw/zinc/14/55/87/568145587.db2.gz SPFVSBDBQFOZNE-OKILXGFUSA-N 1 1 356.853 4.757 40 0 FJABMO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214427 570529954 /nfs/dbraw/zinc/52/99/54/570529954.db2.gz YFKHCEBUNWUNAQ-IBGZPJMESA-N 1 1 367.493 4.790 40 0 FJABMO CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214307 570530065 /nfs/dbraw/zinc/53/00/65/570530065.db2.gz ZNEMIIZGZRDHHN-SFHVURJKSA-N 1 1 353.466 4.766 40 0 FJABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215340 570530919 /nfs/dbraw/zinc/53/09/19/570530919.db2.gz GYMCZHUKNAIDHB-GOSISDBHSA-N 1 1 359.514 4.923 40 0 FJABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215403 570531429 /nfs/dbraw/zinc/53/14/29/570531429.db2.gz JXJLCIGWNFFHQO-SFHVURJKSA-N 1 1 359.514 4.921 40 0 FJABMO C[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215727 570532918 /nfs/dbraw/zinc/53/29/18/570532918.db2.gz OCCFIILAKZILJW-SFHVURJKSA-N 1 1 359.514 4.923 40 0 FJABMO Cc1cc(N2CCCCC2)[nH+]cc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072219257 570534278 /nfs/dbraw/zinc/53/42/78/570534278.db2.gz KTULEDKRCCMQOX-OAQYLSRUSA-N 1 1 363.505 4.748 40 0 FJABMO Cc1cc(N2CCCCC2)[nH+]cc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072219249 570534517 /nfs/dbraw/zinc/53/45/17/570534517.db2.gz WKXAFQKOWPQAFD-GOSISDBHSA-N 1 1 359.514 4.842 40 0 FJABMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044933552 570539128 /nfs/dbraw/zinc/53/91/28/570539128.db2.gz GDTNVMDIOZZKDY-RBUKOAKNSA-N 1 1 350.506 4.718 40 0 FJABMO Cc1ccc(-c2noc([C@H]3CC[N@@H+](Cc4ccc5ncccc5c4)C3)n2)cc1 ZINC000072369988 570546687 /nfs/dbraw/zinc/54/66/87/570546687.db2.gz LUGNKUKZEGHLOB-FQEVSTJZSA-N 1 1 370.456 4.583 40 0 FJABMO C[C@H](CCc1ccccc1)NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260449347 570626993 /nfs/dbraw/zinc/62/69/93/570626993.db2.gz ARADLAYSKOKUOL-VQTJNVASSA-N 1 1 364.533 4.670 40 0 FJABMO Fc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccncc3)on2)cc1 ZINC000012088736 570717621 /nfs/dbraw/zinc/71/76/21/570717621.db2.gz UMOVYRDIQLCRLE-FQEVSTJZSA-N 1 1 351.425 4.993 40 0 FJABMO Cc1ccc2cc(CNc3ccc([NH+]4CCC(C)CC4)cc3)c(=O)[nH]c2c1 ZINC000012088291 570717756 /nfs/dbraw/zinc/71/77/56/570717756.db2.gz DEMWBVHBHCVELT-UHFFFAOYSA-N 1 1 361.489 4.685 40 0 FJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccncc3)no2)cc1 ZINC000012143934 570722301 /nfs/dbraw/zinc/72/23/01/570722301.db2.gz WERIJQCVTFZTIU-NRFANRHFSA-N 1 1 363.461 4.863 40 0 FJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccncc3)no2)cc1 ZINC000012143934 570722303 /nfs/dbraw/zinc/72/23/03/570722303.db2.gz WERIJQCVTFZTIU-NRFANRHFSA-N 1 1 363.461 4.863 40 0 FJABMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000044856339 570867883 /nfs/dbraw/zinc/86/78/83/570867883.db2.gz VGIYDNIGQNEADS-NQIIRXRSSA-N 1 1 368.496 4.532 40 0 FJABMO Cc1ccc(-c2nnc([C@H]3CCC[N@H+]3CCCc3ccccc3)o2)s1 ZINC000019217709 570882434 /nfs/dbraw/zinc/88/24/34/570882434.db2.gz AMAPZFAFVWSQFY-QGZVFWFLSA-N 1 1 353.491 4.876 40 0 FJABMO c1cc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3nccc4ccccc43)o2)cs1 ZINC000019376495 570888759 /nfs/dbraw/zinc/88/87/59/570888759.db2.gz QOGAPZHZDLSZJD-QGZVFWFLSA-N 1 1 362.458 4.683 40 0 FJABMO c1cc(C[N@H+]2CCC[C@@H]2c2nnc(-c3nccc4ccccc43)o2)cs1 ZINC000019376495 570888762 /nfs/dbraw/zinc/88/87/62/570888762.db2.gz QOGAPZHZDLSZJD-QGZVFWFLSA-N 1 1 362.458 4.683 40 0 FJABMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000019498368 570890271 /nfs/dbraw/zinc/89/02/71/570890271.db2.gz ZBUWOMBQAVWIHY-MRXNPFEDSA-N 1 1 350.487 4.841 40 0 FJABMO CCn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)cn1 ZINC000019524927 570891662 /nfs/dbraw/zinc/89/16/62/570891662.db2.gz SZJGTOQIJJXEJG-FQEVSTJZSA-N 1 1 368.456 4.814 40 0 FJABMO CCn1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)cn1 ZINC000019524927 570891664 /nfs/dbraw/zinc/89/16/64/570891664.db2.gz SZJGTOQIJJXEJG-FQEVSTJZSA-N 1 1 368.456 4.814 40 0 FJABMO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@@H]1c1cc(-c2cccs2)on1 ZINC000019583869 570895367 /nfs/dbraw/zinc/89/53/67/570895367.db2.gz KKVQYJRLGVMTAA-QGZVFWFLSA-N 1 1 356.495 4.562 40 0 FJABMO Cc1nn(C)cc1C[N@H+]1CCCCC[C@@H]1c1cc(-c2cccs2)on1 ZINC000019583869 570895369 /nfs/dbraw/zinc/89/53/69/570895369.db2.gz KKVQYJRLGVMTAA-QGZVFWFLSA-N 1 1 356.495 4.562 40 0 FJABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c(C)c1 ZINC000039762493 571023410 /nfs/dbraw/zinc/02/34/10/571023410.db2.gz IOWIXKYILQTGHS-UHFFFAOYSA-N 1 1 374.887 4.947 40 0 FJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000225297259 571026434 /nfs/dbraw/zinc/02/64/34/571026434.db2.gz BJVVZCADKODBLQ-UHFFFAOYSA-N 1 1 360.244 4.799 40 0 FJABMO Fc1ccccc1CN1CCC[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306140979 571042167 /nfs/dbraw/zinc/04/21/67/571042167.db2.gz VICVUOPPEMAFEN-NRFANRHFSA-N 1 1 372.447 4.873 40 0 FJABMO Fc1ccccc1C[N@@H+]1CCC[C@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306140979 571042169 /nfs/dbraw/zinc/04/21/69/571042169.db2.gz VICVUOPPEMAFEN-NRFANRHFSA-N 1 1 372.447 4.873 40 0 FJABMO Fc1ccccc1C[N@H+]1CCC[C@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306140979 571042171 /nfs/dbraw/zinc/04/21/71/571042171.db2.gz VICVUOPPEMAFEN-NRFANRHFSA-N 1 1 372.447 4.873 40 0 FJABMO CC(C)Oc1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000030940430 571052879 /nfs/dbraw/zinc/05/28/79/571052879.db2.gz SJSLDYUOWDCWQE-SFHVURJKSA-N 1 1 366.505 4.958 40 0 FJABMO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030945384 571053350 /nfs/dbraw/zinc/05/33/50/571053350.db2.gz SSAYPDYFGVYSCS-HNNXBMFYSA-N 1 1 363.288 4.844 40 0 FJABMO Cc1ccc(N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1C ZINC000225904870 571079173 /nfs/dbraw/zinc/07/91/73/571079173.db2.gz JVQGAUAYLOTANY-IBGZPJMESA-N 1 1 370.924 4.832 40 0 FJABMO Cc1ccc(N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1C ZINC000225904853 571079179 /nfs/dbraw/zinc/07/91/79/571079179.db2.gz JVQGAUAYLOTANY-LJQANCHMSA-N 1 1 370.924 4.832 40 0 FJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000038835573 571087684 /nfs/dbraw/zinc/08/76/84/571087684.db2.gz GAKVAPUNNADLSL-UHFFFAOYSA-N 1 1 360.244 4.799 40 0 FJABMO Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCC[N@H+]2Cc2ccnn2C)n1 ZINC000257230787 571152625 /nfs/dbraw/zinc/15/26/25/571152625.db2.gz GDXORBVWYYGPDR-QFIPXVFZSA-N 1 1 364.468 4.657 40 0 FJABMO Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCC[N@@H+]2Cc2ccnn2C)n1 ZINC000257230787 571152626 /nfs/dbraw/zinc/15/26/26/571152626.db2.gz GDXORBVWYYGPDR-QFIPXVFZSA-N 1 1 364.468 4.657 40 0 FJABMO Fc1ccc(Cc2ccc([C@@H]3CCCC[N@H+]3Cc3cccnc3)cn2)cc1 ZINC000257252412 571154561 /nfs/dbraw/zinc/15/45/61/571154561.db2.gz JURWBQMIZAOBOE-QHCPKHFHSA-N 1 1 361.464 4.934 40 0 FJABMO Fc1ccc(Cc2ccc([C@@H]3CCCC[N@H+]3Cc3ccncc3)cn2)cc1 ZINC000257271736 571156715 /nfs/dbraw/zinc/15/67/15/571156715.db2.gz MZPKNPVQEUBCCH-QHCPKHFHSA-N 1 1 361.464 4.934 40 0 FJABMO Cc1cccc(Cc2cccc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348813 571180275 /nfs/dbraw/zinc/18/02/75/571180275.db2.gz DAAOXGYLNRULDR-QFIPXVFZSA-N 1 1 357.501 4.755 40 0 FJABMO Cc1cc(Cc2ccccc2)cc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072356005 571182248 /nfs/dbraw/zinc/18/22/48/571182248.db2.gz PBLJGXIWDFJSSZ-HSZRJFAPSA-N 1 1 357.501 4.755 40 0 FJABMO Cc1cc(Cc2ccccc2)cc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072356022 571182272 /nfs/dbraw/zinc/18/22/72/571182272.db2.gz JIPHPLDEYRSMGI-QFIPXVFZSA-N 1 1 357.501 4.755 40 0 FJABMO Fc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-c3cccc(F)c3)C2)cc1 ZINC000072358385 571183536 /nfs/dbraw/zinc/18/35/36/571183536.db2.gz PULPOUZZLQBRGM-SFHVURJKSA-N 1 1 365.427 4.801 40 0 FJABMO COc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000072358515 571183648 /nfs/dbraw/zinc/18/36/48/571183648.db2.gz SYDDHUZZHKNJNO-OAQYLSRUSA-N 1 1 373.500 4.574 40 0 FJABMO Cc1cnc(Nc2cc([C@@H]3CCC[N@H+]3Cc3ccccc3)nc(C)n2)s1 ZINC000072359926 571184144 /nfs/dbraw/zinc/18/41/44/571184144.db2.gz DTWPXMSYYIBMRD-SFHVURJKSA-N 1 1 365.506 4.631 40 0 FJABMO Clc1cccc(-c2cncc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000072359405 571184154 /nfs/dbraw/zinc/18/41/54/571184154.db2.gz OTPHLUHBQKVFDB-GOSISDBHSA-N 1 1 364.880 4.572 40 0 FJABMO Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000072370041 571184990 /nfs/dbraw/zinc/18/49/90/571184990.db2.gz LPBUZELZPOMTRU-QFIPXVFZSA-N 1 1 364.468 4.657 40 0 FJABMO Cc1ccccc1-c1noc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)n1 ZINC000072369942 571185132 /nfs/dbraw/zinc/18/51/32/571185132.db2.gz OTGWGOKLQZVOLD-INIZCTEOSA-N 1 1 353.853 4.688 40 0 FJABMO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)n1 ZINC000072375103 571185378 /nfs/dbraw/zinc/18/53/78/571185378.db2.gz OZFFTBSOIXIZSJ-FQEVSTJZSA-N 1 1 359.477 4.569 40 0 FJABMO Cc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3nccs3)n2)c1 ZINC000072375271 571185630 /nfs/dbraw/zinc/18/56/30/571185630.db2.gz HZMFECFILUAHKF-GOSISDBHSA-N 1 1 350.491 4.927 40 0 FJABMO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000072379112 571187795 /nfs/dbraw/zinc/18/77/95/571187795.db2.gz GTESYNOVIUNUHX-NRFANRHFSA-N 1 1 374.532 4.642 40 0 FJABMO C[N@H+]1CCCC[C@@H]1Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000045284910 571206184 /nfs/dbraw/zinc/20/61/84/571206184.db2.gz MOBWRRIAIHYXLB-MRXNPFEDSA-N 1 1 352.522 4.991 40 0 in-vitro FJABMO O=C1CC[C@]2(CCC[N@@H+](CCc3ccccc3)CC2)N1CC1CCCCC1 ZINC000585099954 571221801 /nfs/dbraw/zinc/22/18/01/571221801.db2.gz AUQYKOLSJRJCGD-DEOSSOPVSA-N 1 1 368.565 4.657 40 0 FJABMO O=C1CC[C@]2(CCC[N@H+](Cc3cccc(F)c3)CC2)N1CC1CCCCC1 ZINC000585100751 571221947 /nfs/dbraw/zinc/22/19/47/571221947.db2.gz VKVQCNFEORKMQL-QHCPKHFHSA-N 1 1 372.528 4.753 40 0 FJABMO c1csc(-c2ccc3c([C@@H]4CCCN4Cc4cccnc4)[nH+]cn3c2)c1 ZINC000306134296 210052688 /nfs/dbraw/zinc/05/26/88/210052688.db2.gz NIBDXMCEOWGMLY-SFHVURJKSA-N 1 1 360.486 4.795 40 0 FJABMO c1csc(-c2ccc3c([C@@H]4CCC[N@H+]4Cc4cccnc4)ncn3c2)c1 ZINC000306134296 210052691 /nfs/dbraw/zinc/05/26/91/210052691.db2.gz NIBDXMCEOWGMLY-SFHVURJKSA-N 1 1 360.486 4.795 40 0 FJABMO c1csc(-c2ccc3c([C@@H]4CCC[N@@H+]4Cc4cccnc4)ncn3c2)c1 ZINC000306134296 210052694 /nfs/dbraw/zinc/05/26/94/210052694.db2.gz NIBDXMCEOWGMLY-SFHVURJKSA-N 1 1 360.486 4.795 40 0 FJABMO COc1ccc2c(c1)c(C(=O)C[N@H+]1C[C@]3(C)C[C@H]1CC(C)(C)C3)c(C)n2C ZINC000002094864 204026549 /nfs/dbraw/zinc/02/65/49/204026549.db2.gz NPEAVBVVTBDHLM-WAIKUNEKSA-N 1 1 368.521 4.579 40 0 FJABMO O=C(Nc1cccc(F)c1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000004882326 204171899 /nfs/dbraw/zinc/17/18/99/204171899.db2.gz VKXBMWVFISZRJZ-SEJPIABJSA-N 1 1 367.468 4.533 40 0 FJABMO O=C(Nc1cccc(Cl)c1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccco1 ZINC000004883411 204172206 /nfs/dbraw/zinc/17/22/06/204172206.db2.gz GKZBGZIXKACSPX-AYHJJNSGSA-N 1 1 373.884 4.640 40 0 FJABMO CO[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000004896288 204173161 /nfs/dbraw/zinc/17/31/61/204173161.db2.gz IENZOKQPSSBWKD-DNQXCXABSA-N 1 1 359.469 4.760 40 0 FJABMO O=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC000035292358 204231087 /nfs/dbraw/zinc/23/10/87/204231087.db2.gz XOFSOZZLVGGLOF-JLYLLQBASA-N 1 1 361.917 4.790 40 0 FJABMO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccsc4)C3)nc2c1 ZINC000035446711 204283086 /nfs/dbraw/zinc/28/30/86/204283086.db2.gz NOWYCCTVZNGESK-LBPRGKRZSA-N 1 1 351.397 4.633 40 0 biogenic,in-vitro FJABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@H+](Cc4ccsc4)C3)[nH]c2c1 ZINC000035446711 204283090 /nfs/dbraw/zinc/28/30/90/204283090.db2.gz NOWYCCTVZNGESK-LBPRGKRZSA-N 1 1 351.397 4.633 40 0 biogenic,in-vitro FJABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@@H+](Cc4ccsc4)C3)[nH]c2c1 ZINC000035446711 204283091 /nfs/dbraw/zinc/28/30/91/204283091.db2.gz NOWYCCTVZNGESK-LBPRGKRZSA-N 1 1 351.397 4.633 40 0 biogenic,in-vitro FJABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000038833333 205042742 /nfs/dbraw/zinc/04/27/42/205042742.db2.gz ZWJRRABWTCJSDX-GOSISDBHSA-N 1 1 356.897 4.808 40 0 FJABMO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038834069 205043556 /nfs/dbraw/zinc/04/35/56/205043556.db2.gz QLJFMYSSRIUWDN-LJQANCHMSA-N 1 1 362.448 4.830 40 0 FJABMO Cc1cc(C)cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000038833527 205043705 /nfs/dbraw/zinc/04/37/05/205043705.db2.gz GTQNAWOBWQJBDB-SFHVURJKSA-N 1 1 356.897 4.808 40 0 FJABMO CSc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044786558 205109908 /nfs/dbraw/zinc/10/99/08/205109908.db2.gz XZVRZFRGAUHVRH-INIZCTEOSA-N 1 1 374.937 4.913 40 0 FJABMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000044790134 205110490 /nfs/dbraw/zinc/11/04/90/205110490.db2.gz OSJKIIKWJRHKMU-UKRRQHHQSA-N 1 1 357.325 4.510 40 0 FJABMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000044790134 205110494 /nfs/dbraw/zinc/11/04/94/205110494.db2.gz OSJKIIKWJRHKMU-UKRRQHHQSA-N 1 1 357.325 4.510 40 0 FJABMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000044856337 205113030 /nfs/dbraw/zinc/11/30/30/205113030.db2.gz VGIYDNIGQNEADS-WIYYLYMNSA-N 1 1 368.496 4.532 40 0 FJABMO CCOc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044911200 205115481 /nfs/dbraw/zinc/11/54/81/205115481.db2.gz OJLGYLLGVRDTBV-KRWDZBQOSA-N 1 1 372.896 4.589 40 0 FJABMO CCSc1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044938703 205116164 /nfs/dbraw/zinc/11/61/64/205116164.db2.gz NIRBVCVOSRSULT-UHFFFAOYSA-N 1 1 351.475 4.604 40 0 FJABMO Fc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccnc2ccccc12 ZINC000043277843 205103126 /nfs/dbraw/zinc/10/31/26/205103126.db2.gz ZPNUMYXLTAHJNC-UHFFFAOYSA-N 1 1 374.463 4.663 40 0 FJABMO Cc1ccc([C@H](c2nnnn2C2CCCCC2)[N@@H+](C)C2CCCCC2)cc1 ZINC000000883925 206137939 /nfs/dbraw/zinc/13/79/39/206137939.db2.gz OJLXWMMIYKCGBJ-OAQYLSRUSA-N 1 1 367.541 4.841 40 0 FJABMO Cc1ccc([C@H](c2nnnn2C2CCCCC2)[N@H+](C)C2CCCCC2)cc1 ZINC000000883925 206137944 /nfs/dbraw/zinc/13/79/44/206137944.db2.gz OJLXWMMIYKCGBJ-OAQYLSRUSA-N 1 1 367.541 4.841 40 0 FJABMO Cc1cc2cc(C)c(NCCNC(=O)c3ccccc3Cl)[nH+]c2cc1C ZINC000004848603 206181576 /nfs/dbraw/zinc/18/15/76/206181576.db2.gz UHDUKABOHGKULO-UHFFFAOYSA-N 1 1 367.880 4.655 40 0 FJABMO Fc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccccn3)on2)cc1 ZINC000019401752 211221523 /nfs/dbraw/zinc/22/15/23/211221523.db2.gz PYVAGUSBPVQRTI-HXUWFJFHSA-N 1 1 351.425 4.993 40 0 FJABMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccccc1OCc1cccnc1 ZINC000019498372 211225527 /nfs/dbraw/zinc/22/55/27/211225527.db2.gz XEOWFFRWHQLOPF-MRXNPFEDSA-N 1 1 350.487 4.841 40 0 FJABMO COc1ccc(C[NH2+][C@H](Cc2cccs2)c2nc(C)cs2)c(OC)c1 ZINC000019240088 211212518 /nfs/dbraw/zinc/21/25/18/211212518.db2.gz UKIMGGABLWNEOB-QGZVFWFLSA-N 1 1 374.531 4.604 40 0 FJABMO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2ccc(C)c(C)c2)on1 ZINC000019213977 211206728 /nfs/dbraw/zinc/20/67/28/211206728.db2.gz AQTQGYKRWNJDIH-IBGZPJMESA-N 1 1 350.466 4.717 40 0 FJABMO COc1cccc(-c2[nH+]c3ccc(C)cn3c2NC2CCCC2)c1OC ZINC000000881974 210286156 /nfs/dbraw/zinc/28/61/56/210286156.db2.gz TZIJJJGZFYCBOX-UHFFFAOYSA-N 1 1 351.450 4.681 40 0 FJABMO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4cc5ccccc5o4)C3)o2)cc1 ZINC000049169970 221020525 /nfs/dbraw/zinc/02/05/25/221020525.db2.gz OBRNVCUMXUJBGR-SFHVURJKSA-N 1 1 359.429 4.781 40 0 biogenic,in-vitro FJABMO Cc1ccccc1-c1ccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)s1 ZINC000096125846 222035195 /nfs/dbraw/zinc/03/51/95/222035195.db2.gz SWSXTKPXHCVRDV-UHFFFAOYSA-N 1 1 361.514 4.949 40 0 FJABMO Cc1ccccc1-c1ccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)s1 ZINC000096125846 222035197 /nfs/dbraw/zinc/03/51/97/222035197.db2.gz SWSXTKPXHCVRDV-UHFFFAOYSA-N 1 1 361.514 4.949 40 0 FJABMO c1ccc(CN2C[C@@H]3C[NH+](Cc4ccc(-c5ccccc5)cc4)C[C@H]3C2)cc1 ZINC000096245627 222099718 /nfs/dbraw/zinc/09/97/18/222099718.db2.gz NRDJASDCGQPBAS-CLJLJLNGSA-N 1 1 368.524 4.917 40 0 FJABMO c1ccc(C[NH+]2C[C@@H]3CN(Cc4ccc(-c5ccccc5)cc4)C[C@H]3C2)cc1 ZINC000096245627 222099722 /nfs/dbraw/zinc/09/97/22/222099722.db2.gz NRDJASDCGQPBAS-CLJLJLNGSA-N 1 1 368.524 4.917 40 0 FJABMO COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cl)o2)cc1 ZINC000007538856 263351945 /nfs/dbraw/zinc/35/19/45/263351945.db2.gz GATUGWISHPHGLS-UHFFFAOYSA-N 1 1 355.821 4.676 40 0 FJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)C1 ZINC000020454216 524232893 /nfs/dbraw/zinc/23/28/93/524232893.db2.gz OOVIWOAMJYNTMF-MRXNPFEDSA-N 1 1 356.897 4.502 40 0 FJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000223006613 568590457 /nfs/dbraw/zinc/59/04/57/568590457.db2.gz CUMUELIOVZEDIW-QGZVFWFLSA-N 1 1 373.500 4.610 40 0 FJABMO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000585260835 570480516 /nfs/dbraw/zinc/48/05/16/570480516.db2.gz KUQMHAPVVFSMBA-HXUWFJFHSA-N 1 1 373.460 4.567 40 0 FJABMO Cc1noc(C)c1-c1cncc([C@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000585260839 570480551 /nfs/dbraw/zinc/48/05/51/570480551.db2.gz UYRGELBLLGOWRY-OAQYLSRUSA-N 1 1 373.460 4.567 40 0 FJABMO Cc1noc(C)c1-c1cncc([C@@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000585260838 570480563 /nfs/dbraw/zinc/48/05/63/570480563.db2.gz UYRGELBLLGOWRY-NRFANRHFSA-N 1 1 373.460 4.567 40 0 FJABMO Cc1cc(C)cc(C(=O)N(CCc2ccccc2)C2=C[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000001198895 570491584 /nfs/dbraw/zinc/49/15/84/570491584.db2.gz KVPMZTMVCZWXSC-XZOQPEGZSA-N 1 1 374.528 4.739 40 0 FJABMO O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](C2CCCC2)CC1 ZINC000585281690 570491746 /nfs/dbraw/zinc/49/17/46/570491746.db2.gz PDSHDCDBPSQWDJ-SFHVURJKSA-N 1 1 358.309 4.532 40 0 FJABMO O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](C2CCCCC2)CC1 ZINC000585282118 570492629 /nfs/dbraw/zinc/49/26/29/570492629.db2.gz XYCXQULBTLTYPH-IBGZPJMESA-N 1 1 372.336 4.922 40 0 FJABMO CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072214367 570530021 /nfs/dbraw/zinc/53/00/21/570530021.db2.gz SGRBOVHLIJWLDU-SFHVURJKSA-N 1 1 353.466 4.766 40 0 FJABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215503 570531520 /nfs/dbraw/zinc/53/15/20/570531520.db2.gz VZSSDYRAXVOMDY-GOSISDBHSA-N 1 1 359.514 4.923 40 0 FJABMO O=C(c1cccc2ccccc21)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408609867 570582388 /nfs/dbraw/zinc/58/23/88/570582388.db2.gz PFEMAEAEHPLAJH-QFIPXVFZSA-N 1 1 370.496 4.503 40 0 FJABMO O[C@@](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)c1ccc(F)cc1 ZINC000004934861 570613943 /nfs/dbraw/zinc/61/39/43/570613943.db2.gz JOTQVNUKFKKTQB-YDHSSHFGSA-N 1 1 353.481 4.574 40 0 FJABMO Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)C2CCCCC2)C3)cc1 ZINC000035290319 570636204 /nfs/dbraw/zinc/63/62/04/570636204.db2.gz KCBCXSLTVXTFQT-FRIKZZABSA-N 1 1 354.538 4.577 40 0 FJABMO COc1ccc(CC[N@@H+](C)[C@H](C)C2C3CC4CC(C3)CC2C4)cc1OC ZINC000006491575 570647885 /nfs/dbraw/zinc/64/78/85/570647885.db2.gz OYYPFWBWRHXFKJ-BTZTZORMSA-N 1 1 357.538 4.639 40 0 FJABMO COc1ccc(CNc2c(-c3ccc(OC)cc3)[nH+]c3ccc(C)cn32)cc1 ZINC000004848451 570669849 /nfs/dbraw/zinc/66/98/49/570669849.db2.gz KOTGGJDPDZVAHP-UHFFFAOYSA-N 1 1 373.456 4.939 40 0 FJABMO Fc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccncc3)on2)cc1 ZINC000012088737 570717578 /nfs/dbraw/zinc/71/75/78/570717578.db2.gz UMOVYRDIQLCRLE-HXUWFJFHSA-N 1 1 351.425 4.993 40 0 FJABMO FC(F)c1cc([C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129277 570720879 /nfs/dbraw/zinc/72/08/79/570720879.db2.gz XNKPWROMEGXRLI-BPQIPLTHSA-N 1 1 357.448 4.887 40 0 FJABMO COc1cc(C[NH2+][C@H](Cc2cccs2)c2nc(C)cs2)cc(OC)c1 ZINC000019240067 570884079 /nfs/dbraw/zinc/88/40/79/570884079.db2.gz FKJXBSIMFANUIM-GOSISDBHSA-N 1 1 374.531 4.604 40 0 FJABMO CCOc1cc(C[NH2+][C@@H](Cc2cccs2)c2nccs2)ccc1OC ZINC000019532141 570892037 /nfs/dbraw/zinc/89/20/37/570892037.db2.gz DHUOICPENPQQSS-INIZCTEOSA-N 1 1 374.531 4.686 40 0 FJABMO CCOc1ccc(C[NH2+][C@H](Cc2cccs2)c2nccs2)cc1OC ZINC000019533945 570892099 /nfs/dbraw/zinc/89/20/99/570892099.db2.gz FCZLZLHHJQULAJ-MRXNPFEDSA-N 1 1 374.531 4.686 40 0 FJABMO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)c1C ZINC000019557973 570893212 /nfs/dbraw/zinc/89/32/12/570893212.db2.gz ZVOJFOLATYYFDT-GOSISDBHSA-N 1 1 354.429 4.548 40 0 FJABMO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)c1C ZINC000019557973 570893216 /nfs/dbraw/zinc/89/32/16/570893216.db2.gz ZVOJFOLATYYFDT-GOSISDBHSA-N 1 1 354.429 4.548 40 0 FJABMO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@H]1c1cc(-c2cccs2)on1 ZINC000019583872 570895288 /nfs/dbraw/zinc/89/52/88/570895288.db2.gz KKVQYJRLGVMTAA-KRWDZBQOSA-N 1 1 356.495 4.562 40 0 FJABMO Cc1nn(C)cc1C[N@H+]1CCCCC[C@H]1c1cc(-c2cccs2)on1 ZINC000019583872 570895291 /nfs/dbraw/zinc/89/52/91/570895291.db2.gz KKVQYJRLGVMTAA-KRWDZBQOSA-N 1 1 356.495 4.562 40 0 FJABMO Cc1cc(C)n(CCC[N@H+](C)Cc2cn(C(C)C)c3cc(F)ccc23)n1 ZINC000019717656 570900230 /nfs/dbraw/zinc/90/02/30/570900230.db2.gz FFSKCCIEVUEGEL-UHFFFAOYSA-N 1 1 356.489 4.697 40 0 FJABMO Cc1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039750457 571024520 /nfs/dbraw/zinc/02/45/20/571024520.db2.gz OVBQTILAADISEI-UHFFFAOYSA-N 1 1 360.860 4.638 40 0 FJABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039750455 571024551 /nfs/dbraw/zinc/02/45/51/571024551.db2.gz LVDBJCQOHXPKNG-UHFFFAOYSA-N 1 1 360.860 4.638 40 0 FJABMO O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220803 571028042 /nfs/dbraw/zinc/02/80/42/571028042.db2.gz TYUKMOPIVKYLJJ-HNNXBMFYSA-N 1 1 363.288 4.844 40 0 FJABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(C)c(Cl)c2)cc1 ZINC000225456932 571036790 /nfs/dbraw/zinc/03/67/90/571036790.db2.gz UNGUVVSILBLFRV-UHFFFAOYSA-N 1 1 370.909 4.629 40 0 FJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000225582253 571047163 /nfs/dbraw/zinc/04/71/63/571047163.db2.gz NBVJPQMXUSOUAE-MRXNPFEDSA-N 1 1 373.488 4.646 40 0 FJABMO C[N@H+]1CCc2ccccc2[C@@H]1Cc1cc(OCc2ccccc2)ccc1N ZINC000031938931 571056664 /nfs/dbraw/zinc/05/66/64/571056664.db2.gz GWIOQTCSMPBYMC-DEOSSOPVSA-N 1 1 358.485 4.620 40 0 FJABMO O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225902989 571078812 /nfs/dbraw/zinc/07/88/12/571078812.db2.gz YLDSAOSSRHKURE-OAHLLOKOSA-N 1 1 363.288 4.844 40 0 FJABMO CCc1cccc(C)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038856936 571088262 /nfs/dbraw/zinc/08/82/62/571088262.db2.gz YPZRMCOTCHJECI-LJQANCHMSA-N 1 1 354.469 4.547 40 0 FJABMO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038852385 571088288 /nfs/dbraw/zinc/08/82/88/571088288.db2.gz RJWKTRWFUQLKJA-IBGZPJMESA-N 1 1 360.929 4.559 40 0 FJABMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038859333 571088463 /nfs/dbraw/zinc/08/84/63/571088463.db2.gz PCUPHPKLQRMQLM-UONOGXRCSA-N 1 1 357.325 4.510 40 0 FJABMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038859333 571088465 /nfs/dbraw/zinc/08/84/65/571088465.db2.gz PCUPHPKLQRMQLM-UONOGXRCSA-N 1 1 357.325 4.510 40 0 FJABMO Cc1cccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000044909771 571104563 /nfs/dbraw/zinc/10/45/63/571104563.db2.gz LHDJCKWCWOVCLB-FQEVSTJZSA-N 1 1 364.533 4.590 40 0 FJABMO COc1ccccc1-c1cccc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072348805 571180230 /nfs/dbraw/zinc/18/02/30/571180230.db2.gz FSJUCEQLSRQFHG-IBGZPJMESA-N 1 1 359.473 4.532 40 0 FJABMO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000072379145 571187847 /nfs/dbraw/zinc/18/78/47/571187847.db2.gz XFJJRMOXXKMFIO-GOSISDBHSA-N 1 1 352.526 4.903 40 0 FJABMO O=C1CC[C@@]2(CCC[N@@H+](CC3CCCCC3)CC2)N1Cc1ccc(F)cc1 ZINC000585100812 571222513 /nfs/dbraw/zinc/22/25/13/571222513.db2.gz XQAMRYKFBMSMCA-HSZRJFAPSA-N 1 1 372.528 4.753 40 0 FJABMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038859335 571306232 /nfs/dbraw/zinc/30/62/32/571306232.db2.gz PCUPHPKLQRMQLM-KGLIPLIRSA-N 1 1 357.325 4.510 40 0 FJABMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038859335 571306233 /nfs/dbraw/zinc/30/62/33/571306233.db2.gz PCUPHPKLQRMQLM-KGLIPLIRSA-N 1 1 357.325 4.510 40 0 FJABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCC1)c1ccccc1Cl ZINC000004887808 204173007 /nfs/dbraw/zinc/17/30/07/204173007.db2.gz VUPCTFKVXKFIJF-ZNXRZULTSA-N 1 1 360.929 4.788 40 0 FJABMO O=C(Nc1ccccc1Cl)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038833753 205042902 /nfs/dbraw/zinc/04/29/02/205042902.db2.gz ZFXVRXWNPGFHAO-OAHLLOKOSA-N 1 1 363.288 4.844 40 0 FJABMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038834997 205042934 /nfs/dbraw/zinc/04/29/34/205042934.db2.gz HNALCLVCBOHNMI-OAHLLOKOSA-N 1 1 363.288 4.844 40 0 FJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000038835047 205043504 /nfs/dbraw/zinc/04/35/04/205043504.db2.gz CZLVMEYZGMXWSZ-UHFFFAOYSA-N 1 1 360.244 4.799 40 0 FJABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(F)cc1 ZINC000044933991 205116464 /nfs/dbraw/zinc/11/64/64/205116464.db2.gz VMPBYCBCKDQCOV-MAUKXSAKSA-N 1 1 374.887 4.569 40 0 FJABMO Fc1cccc(C[N@@H+](CCCn2ccnc2)Cc2ccc3ccccc3n2)c1 ZINC000043277708 205102326 /nfs/dbraw/zinc/10/23/26/205102326.db2.gz LUAGGMGCHBEGMM-UHFFFAOYSA-N 1 1 374.463 4.663 40 0 FJABMO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)o2)s1 ZINC000072390106 205525493 /nfs/dbraw/zinc/52/54/93/205525493.db2.gz RSVCXYAUFGBOIP-HNNXBMFYSA-N 1 1 357.454 4.625 40 0 FJABMO O=C(Nc1ccccc1F)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000004882294 206183498 /nfs/dbraw/zinc/18/34/98/206183498.db2.gz JDQDTPJLOGSWSI-YQQQUEKLSA-N 1 1 367.468 4.533 40 0 FJABMO COc1cccc(C[N@H+](Cc2ccncc2)Cc2ccc(C)cc2)c1OC ZINC000013989287 206308407 /nfs/dbraw/zinc/30/84/07/206308407.db2.gz RCFWQZRBPIOJPX-UHFFFAOYSA-N 1 1 362.473 4.610 40 0 FJABMO COc1cccc(C[N@@H+](Cc2ccncc2)Cc2ccc(C)cc2)c1OC ZINC000013989287 206308412 /nfs/dbraw/zinc/30/84/12/206308412.db2.gz RCFWQZRBPIOJPX-UHFFFAOYSA-N 1 1 362.473 4.610 40 0 FJABMO COc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)cs2)cc1OC ZINC000019240225 211210918 /nfs/dbraw/zinc/21/09/18/211210918.db2.gz JZAVHPULKSVAJZ-INIZCTEOSA-N 1 1 374.531 4.604 40 0 FJABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+]3CCCc3ccccc3)o2)s1 ZINC000019217706 211205493 /nfs/dbraw/zinc/20/54/93/211205493.db2.gz AMAPZFAFVWSQFY-KRWDZBQOSA-N 1 1 353.491 4.876 40 0 FJABMO CC(C)COc1ccc(C(=O)OCC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000000819790 210276310 /nfs/dbraw/zinc/27/63/10/210276310.db2.gz TVPOHZDOAWMQLL-GHTZIAJQSA-N 1 1 359.510 4.533 40 0 biogenic,in-vitro FJABMO COc1ccc(-c2cccc(C[N@@H+]3CCCC[C@H]3CCN(C)C)c2)cc1 ZINC000057775548 221094210 /nfs/dbraw/zinc/09/42/10/221094210.db2.gz GDSSUABGLKZROX-QFIPXVFZSA-N 1 1 352.522 4.668 40 0 FJABMO COc1ccc(-c2cccc(C[N@H+]3CCCC[C@H]3CCN(C)C)c2)cc1 ZINC000057775548 221094212 /nfs/dbraw/zinc/09/42/12/221094212.db2.gz GDSSUABGLKZROX-QFIPXVFZSA-N 1 1 352.522 4.668 40 0 FJABMO CC[C@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329024877 524005687 /nfs/dbraw/zinc/00/56/87/524005687.db2.gz PCUVWIBRVMGJAM-ZDUSSCGKSA-N 1 1 356.901 4.781 40 0 FJABMO CC[C@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329024877 524005690 /nfs/dbraw/zinc/00/56/90/524005690.db2.gz PCUVWIBRVMGJAM-ZDUSSCGKSA-N 1 1 356.901 4.781 40 0 FJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000020108492 527383563 /nfs/dbraw/zinc/38/35/63/527383563.db2.gz KMNZYIDHTJBLDN-SDNWHVSQSA-N 1 1 373.500 4.808 40 0 FJABMO C[C@H]1C[NH+](Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C[C@H](C)O1 ZINC000216840114 568145677 /nfs/dbraw/zinc/14/56/77/568145677.db2.gz SPFVSBDBQFOZNE-KBPBESRZSA-N 1 1 356.853 4.757 40 0 FJABMO c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000026440547 568648933 /nfs/dbraw/zinc/64/89/33/568648933.db2.gz MGXJQLLOZXQAEP-JWQCQUIFSA-N 1 1 356.513 4.835 40 0 FJABMO c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000026440547 568648934 /nfs/dbraw/zinc/64/89/34/568648934.db2.gz MGXJQLLOZXQAEP-JWQCQUIFSA-N 1 1 356.513 4.835 40 0 FJABMO c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000026440547 568648935 /nfs/dbraw/zinc/64/89/35/568648935.db2.gz MGXJQLLOZXQAEP-JWQCQUIFSA-N 1 1 356.513 4.835 40 0 FJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000223502733 568662278 /nfs/dbraw/zinc/66/22/78/568662278.db2.gz KIVMNOBAOAFNQU-GOSISDBHSA-N 1 1 361.489 4.656 40 0 FJABMO Cc1ccccc1C[N@H+]1CCC[C@@]12CCCN(C(=O)Nc1ccccc1)C2 ZINC000096214633 570479507 /nfs/dbraw/zinc/47/95/07/570479507.db2.gz XACGGAMDZYBJDK-HSZRJFAPSA-N 1 1 363.505 4.658 40 0 FJABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215343 570531090 /nfs/dbraw/zinc/53/10/90/570531090.db2.gz HHUANXNQLOALAU-SFHVURJKSA-N 1 1 359.514 4.921 40 0 FJABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215442 570531471 /nfs/dbraw/zinc/53/14/71/570531471.db2.gz CGHHPTGHTAFXPX-SFHVURJKSA-N 1 1 359.514 4.921 40 0 FJABMO CC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215553 570532104 /nfs/dbraw/zinc/53/21/04/570532104.db2.gz AFVWEOWOMMLZSH-GOSISDBHSA-N 1 1 359.514 4.923 40 0 FJABMO C[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215848 570532883 /nfs/dbraw/zinc/53/28/83/570532883.db2.gz PQJPSDYAWCJUQY-GOSISDBHSA-N 1 1 353.466 4.922 40 0 FJABMO Cc1cc(N2CCCCC2)[nH+]cc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072219248 570534246 /nfs/dbraw/zinc/53/42/46/570534246.db2.gz WKXAFQKOWPQAFD-SFHVURJKSA-N 1 1 359.514 4.842 40 0 FJABMO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044933362 570539101 /nfs/dbraw/zinc/53/91/01/570539101.db2.gz SDFFYIOXHPJVSZ-XLIONFOSSA-N 1 1 370.924 4.738 40 0 FJABMO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000072376754 570546585 /nfs/dbraw/zinc/54/65/85/570546585.db2.gz IUVIBVBVXNWYCY-FQEVSTJZSA-N 1 1 362.452 4.592 40 0 FJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccccn3)on2)cc1 ZINC000012088738 570717595 /nfs/dbraw/zinc/71/75/95/570717595.db2.gz FWXMGJMKVHEDCI-NRFANRHFSA-N 1 1 363.461 4.863 40 0 FJABMO FC(F)c1cc([C@@H]2C[N@@H+](C[C@H]3CC=CCC3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129272 570720673 /nfs/dbraw/zinc/72/06/73/570720673.db2.gz XNKPWROMEGXRLI-RYQLBKOJSA-N 1 1 357.448 4.887 40 0 FJABMO Fc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccccn3)no2)cc1 ZINC000012143945 570721925 /nfs/dbraw/zinc/72/19/25/570721925.db2.gz PRIIDKFDYUIBCQ-HXUWFJFHSA-N 1 1 351.425 4.993 40 0 FJABMO Fc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccccn3)no2)cc1 ZINC000012143945 570721931 /nfs/dbraw/zinc/72/19/31/570721931.db2.gz PRIIDKFDYUIBCQ-HXUWFJFHSA-N 1 1 351.425 4.993 40 0 FJABMO CCn1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)cn1 ZINC000019524919 570891568 /nfs/dbraw/zinc/89/15/68/570891568.db2.gz WYWAADLCRUJQMY-FQEVSTJZSA-N 1 1 368.456 4.814 40 0 FJABMO CCOc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)cc1OC ZINC000019533959 570892070 /nfs/dbraw/zinc/89/20/70/570892070.db2.gz JRFZDYHZMXFRED-INIZCTEOSA-N 1 1 374.531 4.686 40 0 FJABMO COc1ccc(-c2ccc(C[N@@H+](C)CCCn3nc(C)cc3C)cc2)cc1 ZINC000019719956 570900856 /nfs/dbraw/zinc/90/08/56/570900856.db2.gz WHZDNNMWJGRTHK-UHFFFAOYSA-N 1 1 363.505 4.698 40 0 FJABMO COc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1Cl ZINC000020495904 570918675 /nfs/dbraw/zinc/91/86/75/570918675.db2.gz OYKOUZYVLROMCQ-HNNXBMFYSA-N 1 1 372.896 4.833 40 0 FJABMO COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1Cc1ccccc1F ZINC000005151096 570950434 /nfs/dbraw/zinc/95/04/34/570950434.db2.gz KDSGEFWXLQJWCW-VJBMBRPKSA-N 1 1 369.480 4.703 40 0 FJABMO CCc1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039768518 571023926 /nfs/dbraw/zinc/02/39/26/571023926.db2.gz FQOCMIQHOSSXQD-UHFFFAOYSA-N 1 1 374.887 4.892 40 0 FJABMO CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220717 571027836 /nfs/dbraw/zinc/02/78/36/571027836.db2.gz CSMOUCKAIVJUJI-SFHVURJKSA-N 1 1 356.897 4.753 40 0 FJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1c(Cl)cccc1Cl ZINC000225359819 571030366 /nfs/dbraw/zinc/03/03/66/571030366.db2.gz OZYKYKBQSAWQTO-HNNXBMFYSA-N 1 1 371.352 4.697 40 0 FJABMO c1cc(C[N@H+]2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)cs1 ZINC000306134599 571039038 /nfs/dbraw/zinc/03/90/38/571039038.db2.gz NTGPSMZHEIIJES-IBGZPJMESA-N 1 1 360.486 4.795 40 0 FJABMO CCCCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000030938177 571052628 /nfs/dbraw/zinc/05/26/28/571052628.db2.gz NLAIVDSSMYQABA-NRFANRHFSA-N 1 1 350.506 4.880 40 0 FJABMO CSc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030938036 571052813 /nfs/dbraw/zinc/05/28/13/571052813.db2.gz OJLFISNVSAMYFH-INIZCTEOSA-N 1 1 374.937 4.913 40 0 FJABMO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1)c1ccc(C)c(C)c1 ZINC000044856570 571103469 /nfs/dbraw/zinc/10/34/69/571103469.db2.gz NKZFYYZHUGQSAK-JOCHJYFZSA-N 1 1 361.489 4.738 40 0 FJABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000044934017 571105329 /nfs/dbraw/zinc/10/53/29/571105329.db2.gz HCANGIHHYOOZER-CRAIPNDOSA-N 1 1 374.887 4.569 40 0 FJABMO Cc1ccc(C(=O)Nc2cc([N@@H+]3C[C@H](C)C[C@H](C)C3)c(C)cc2N)cc1 ZINC000216867613 571149677 /nfs/dbraw/zinc/14/96/77/571149677.db2.gz BWMNABFPYPLVMU-IYBDPMFKSA-N 1 1 351.494 4.620 40 0 FJABMO Cc1ccc(C(=O)Nc2cc([N@H+]3C[C@H](C)C[C@H](C)C3)c(C)cc2N)cc1 ZINC000216867613 571149680 /nfs/dbraw/zinc/14/96/80/571149680.db2.gz BWMNABFPYPLVMU-IYBDPMFKSA-N 1 1 351.494 4.620 40 0 FJABMO Cc1cccc(Nc2ccc([C@@H]3CCCC[N@H+]3Cc3ccncc3)cn2)n1 ZINC000257239622 571153290 /nfs/dbraw/zinc/15/32/90/571153290.db2.gz HQDNQVIWCHUUGO-FQEVSTJZSA-N 1 1 359.477 4.651 40 0 FJABMO Fc1cccc(Cc2ccc([C@H]3CCCC[N@H+]3Cc3cccnc3)cn2)c1 ZINC000257261065 571155381 /nfs/dbraw/zinc/15/53/81/571155381.db2.gz LFONACNQQXKNHX-HSZRJFAPSA-N 1 1 361.464 4.934 40 0 FJABMO COc1ccccc1-c1cccc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072348840 571180180 /nfs/dbraw/zinc/18/01/80/571180180.db2.gz JEIQMVQNDZMLRO-LJQANCHMSA-N 1 1 359.473 4.532 40 0 FJABMO Cc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348850 571180284 /nfs/dbraw/zinc/18/02/84/571180284.db2.gz BOJHKYAKSKMSBT-JOCHJYFZSA-N 1 1 357.501 4.755 40 0 FJABMO Clc1cccc(-c2cccc([C@@H]3CCC[N@H+](C4CCOCC4)C3)n2)c1 ZINC000072350084 571181334 /nfs/dbraw/zinc/18/13/34/571181334.db2.gz IFMTZGWEDIQTIO-QGZVFWFLSA-N 1 1 356.897 4.760 40 0 FJABMO CCn1ccnc1C[NH+]1CCC(c2cccc(Cc3ccccc3C)n2)CC1 ZINC000072350286 571181767 /nfs/dbraw/zinc/18/17/67/571181767.db2.gz QZISJCSMUFMBCZ-UHFFFAOYSA-N 1 1 374.532 4.577 40 0 FJABMO Clc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)c1 ZINC000072358620 571183490 /nfs/dbraw/zinc/18/34/90/571183490.db2.gz LSJREMGATLVNRW-QGZVFWFLSA-N 1 1 364.880 4.572 40 0 FJABMO Fc1ccc(-c2nccnc2[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000072358512 571183600 /nfs/dbraw/zinc/18/36/00/571183600.db2.gz UMYJFGOBFSEWRI-HXUWFJFHSA-N 1 1 361.464 4.705 40 0 FJABMO Clc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375116 571185601 /nfs/dbraw/zinc/18/56/01/571185601.db2.gz GHVJMTDZBJFFLZ-SFHVURJKSA-N 1 1 365.868 4.606 40 0 FJABMO Clc1ccccc1C[N@H+]1CCC[C@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375116 571185604 /nfs/dbraw/zinc/18/56/04/571185604.db2.gz GHVJMTDZBJFFLZ-SFHVURJKSA-N 1 1 365.868 4.606 40 0 FJABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000072379107 571187592 /nfs/dbraw/zinc/18/75/92/571187592.db2.gz UTWNBOXFMCFVIA-NRFANRHFSA-N 1 1 360.505 4.599 40 0 FJABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)o2)s1 ZINC000072390105 571189537 /nfs/dbraw/zinc/18/95/37/571189537.db2.gz RSVCXYAUFGBOIP-OAHLLOKOSA-N 1 1 357.454 4.625 40 0 FJABMO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)o2)s1 ZINC000072390094 571189667 /nfs/dbraw/zinc/18/96/67/571189667.db2.gz JVUZSILBIQMLPX-HNNXBMFYSA-N 1 1 357.454 4.625 40 0 FJABMO CCOc1ccc(C[N@H+]2CC[C@@H](c3c[nH]c4ccc(OC)cc43)C2)cc1 ZINC000057745003 571195003 /nfs/dbraw/zinc/19/50/03/571195003.db2.gz OPZCOVFIQXABAJ-QGZVFWFLSA-N 1 1 350.462 4.565 40 0 FJABMO Cc1cc([C@@H]2CCCCC[N@@H+]2C[C@H](C)Cc2ccc3c(c2)OCO3)no1 ZINC000253479442 571291722 /nfs/dbraw/zinc/29/17/22/571291722.db2.gz QKSRVUXJRJEXMU-BEFAXECRSA-N 1 1 356.466 4.508 40 0 FJABMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038859320 571306263 /nfs/dbraw/zinc/30/62/63/571306263.db2.gz OSJKIIKWJRHKMU-ZFWWWQNUSA-N 1 1 357.325 4.510 40 0 FJABMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038859320 571306265 /nfs/dbraw/zinc/30/62/65/571306265.db2.gz OSJKIIKWJRHKMU-ZFWWWQNUSA-N 1 1 357.325 4.510 40 0 FJABMO O=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000035289453 204223666 /nfs/dbraw/zinc/22/36/66/204223666.db2.gz NGYSAXMUFKSQCK-IHWFROFDSA-N 1 1 369.896 4.657 40 0 FJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1c(C)nn(C(C)C)c1C ZINC000036741275 205020925 /nfs/dbraw/zinc/02/09/25/205020925.db2.gz CFRADDLXFKVKJF-LJQANCHMSA-N 1 1 374.598 4.629 40 0 FJABMO CCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038835262 205042803 /nfs/dbraw/zinc/04/28/03/205042803.db2.gz JBFLJYAULQGANJ-GOSISDBHSA-N 1 1 356.897 4.753 40 0 FJABMO CCOc1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000038834317 205042520 /nfs/dbraw/zinc/04/25/20/205042520.db2.gz YPECPTAEEFQRBL-KRWDZBQOSA-N 1 1 352.478 4.570 40 0 FJABMO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1)c1ccc(C)c(C)c1 ZINC000044856569 205112509 /nfs/dbraw/zinc/11/25/09/205112509.db2.gz NKZFYYZHUGQSAK-QFIPXVFZSA-N 1 1 361.489 4.738 40 0 FJABMO CN(C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000013670554 220082755 /nfs/dbraw/zinc/08/27/55/220082755.db2.gz ZVEIGBLTAROYMR-UHFFFAOYSA-N 1 1 356.469 4.522 40 0 FJABMO COc1cccc(-c2[nH+]c3c(C)cccn3c2NC2CCCC2)c1OC ZINC000000881985 206137583 /nfs/dbraw/zinc/13/75/83/206137583.db2.gz YDBCBGNPPZPRAO-UHFFFAOYSA-N 1 1 351.450 4.681 40 0 FJABMO O=C(Nc1ccc(Cl)cc1)[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000055301140 206370174 /nfs/dbraw/zinc/37/01/74/206370174.db2.gz JGWHUIPFOFUBJC-HXUWFJFHSA-N 1 1 350.849 4.810 40 0 FJABMO CCn1ncc(C[N@H+]2CCC[C@H]2c2cc(Cc3ccccc3)cc(C)n2)c1C ZINC000019691981 211245428 /nfs/dbraw/zinc/24/54/28/211245428.db2.gz YSSBZLGZXASMKB-DEOSSOPVSA-N 1 1 374.532 4.843 40 0 FJABMO Cc1csc([C@@H](Cc2ccsc2)[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)n1 ZINC000019240239 211211519 /nfs/dbraw/zinc/21/15/19/211211519.db2.gz CYHJYUDJHSLAKL-KBXCAEBGSA-N 1 1 370.543 4.910 40 0 FJABMO Cc1noc2nc([C@@H]3CCC[N@@H+](Cc4cccc(C)n4)C3)cc(C(F)F)c12 ZINC000019236222 211208525 /nfs/dbraw/zinc/20/85/25/211208525.db2.gz BSHKLQNUVVOLCE-CQSZACIVSA-N 1 1 372.419 4.552 40 0 FJABMO CNc1cncc([C@H]2CCC[N@H+]2Cc2ccccc2-c2ccccc2OC)n1 ZINC000257295139 533072177 /nfs/dbraw/zinc/07/21/77/533072177.db2.gz QXDIESUTBMCXKD-OAQYLSRUSA-N 1 1 374.488 4.531 40 0 FJABMO CC(C)c1cc(N2Cc3ccccc3C[C@@H]2C)nc(NCc2ccccc2)[nH+]1 ZINC000328978357 132372136 /nfs/dbraw/zinc/37/21/36/132372136.db2.gz FXWPFXQYXWYCFU-SFHVURJKSA-N 1 1 372.516 4.585 40 0 FJABMO Cc1nc(NC2CCCCC2)cc(N2CCc3cc(Cl)ccc3C2)[nH+]1 ZINC000329006812 132372435 /nfs/dbraw/zinc/37/24/35/132372435.db2.gz LGCRMKNRLWYCTO-UHFFFAOYSA-N 1 1 356.901 4.746 40 0 FJABMO Cc1nc(N2CCc3cc(Cl)ccc3C2)cc(Nc2ccccc2)[nH+]1 ZINC000329068352 132373179 /nfs/dbraw/zinc/37/31/79/132373179.db2.gz YQCQNDVNZDFEPK-UHFFFAOYSA-N 1 1 350.853 4.745 40 0 FJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)C1 ZINC000020110911 524233008 /nfs/dbraw/zinc/23/30/08/524233008.db2.gz PTAQECLCLJMBHO-MRXNPFEDSA-N 1 1 356.897 4.502 40 0 FJABMO Fc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)[N@H+]4CCC[C@@]34C2)cc1 ZINC000227308531 526335445 /nfs/dbraw/zinc/33/54/45/526335445.db2.gz SVFQQPZSZOXLGQ-YUXAGFNASA-N 1 1 370.899 4.891 40 0 FJABMO Fc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 ZINC000227308531 526335449 /nfs/dbraw/zinc/33/54/49/526335449.db2.gz SVFQQPZSZOXLGQ-YUXAGFNASA-N 1 1 370.899 4.891 40 0 FJABMO Fc1ccc(C[N@H+]2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 ZINC000227308531 526335455 /nfs/dbraw/zinc/33/54/55/526335455.db2.gz SVFQQPZSZOXLGQ-YUXAGFNASA-N 1 1 370.899 4.891 40 0 FJABMO c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000245227436 526472598 /nfs/dbraw/zinc/47/25/98/526472598.db2.gz MGXJQLLOZXQAEP-DQEYMECFSA-N 1 1 356.513 4.835 40 0 FJABMO c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000245227436 526472604 /nfs/dbraw/zinc/47/26/04/526472604.db2.gz MGXJQLLOZXQAEP-DQEYMECFSA-N 1 1 356.513 4.835 40 0 FJABMO c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000245227436 526472607 /nfs/dbraw/zinc/47/26/07/526472607.db2.gz MGXJQLLOZXQAEP-DQEYMECFSA-N 1 1 356.513 4.835 40 0 FJABMO C[N@H+]1CCC=C(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)C1 ZINC000001655585 536350021 /nfs/dbraw/zinc/35/00/21/536350021.db2.gz CIYMYVMHWSYLLO-UHFFFAOYSA-N 1 1 356.878 4.731 40 0 FJABMO CCc1ccc(N(CC(=O)c2ccc(OC)cc2)C2=[NH+]CCCC2)cc1 ZINC000006870958 568099479 /nfs/dbraw/zinc/09/94/79/568099479.db2.gz AMMJDKXGDMVTFC-UHFFFAOYSA-N 1 1 350.462 4.529 40 0 FJABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cccc2ccccc21 ZINC000023247758 568394152 /nfs/dbraw/zinc/39/41/52/568394152.db2.gz BMCBLHUPAOEDFM-QHCPKHFHSA-N 1 1 359.517 4.721 40 0 FJABMO C[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215788 570533027 /nfs/dbraw/zinc/53/30/27/570533027.db2.gz CSPFYTPROLJOSS-GOSISDBHSA-N 1 1 353.466 4.922 40 0 FJABMO C[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215667 570533033 /nfs/dbraw/zinc/53/30/33/570533033.db2.gz VEZCNEOJTLTVPH-SFHVURJKSA-N 1 1 359.514 4.923 40 0 FJABMO Cc1cc(N2CCCCC2)[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072219256 570534256 /nfs/dbraw/zinc/53/42/56/570534256.db2.gz KTULEDKRCCMQOX-NRFANRHFSA-N 1 1 363.505 4.748 40 0 FJABMO CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(C)cc1 ZINC000044935704 570539144 /nfs/dbraw/zinc/53/91/44/570539144.db2.gz QPKWTDWYEPBHIU-UNMCSNQZSA-N 1 1 368.496 4.614 40 0 FJABMO Cc1ccc(-c2noc([C@@H]3CC[N@@H+](Cc4cccc5cccnc54)C3)n2)cc1 ZINC000072369983 570546578 /nfs/dbraw/zinc/54/65/78/570546578.db2.gz MSDUWWYIJKGSRE-HXUWFJFHSA-N 1 1 370.456 4.583 40 0 FJABMO O=C(c1cccc2ccccc21)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000408609060 570582405 /nfs/dbraw/zinc/58/24/05/570582405.db2.gz NRSPJAWATAREDE-UHFFFAOYSA-N 1 1 370.496 4.503 40 0 FJABMO CO[C@@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000004896289 570612520 /nfs/dbraw/zinc/61/25/20/570612520.db2.gz IENZOKQPSSBWKD-RPWUZVMVSA-N 1 1 359.469 4.760 40 0 FJABMO Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc([NH+]4CCCCC4)cc3)cc12 ZINC000012088264 570717510 /nfs/dbraw/zinc/71/75/10/570717510.db2.gz FPAPSYOANZJLDU-UHFFFAOYSA-N 1 1 361.489 4.747 40 0 FJABMO Cc1ccc2cc(CNc3ccc([N@@H+]4CCC[C@@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000012088283 570717742 /nfs/dbraw/zinc/71/77/42/570717742.db2.gz JFDHRGYDLAWNRQ-QGZVFWFLSA-N 1 1 361.489 4.685 40 0 FJABMO Cc1ccc2cc(CNc3ccc([N@H+]4CCC[C@@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000012088283 570717743 /nfs/dbraw/zinc/71/77/43/570717743.db2.gz JFDHRGYDLAWNRQ-QGZVFWFLSA-N 1 1 361.489 4.685 40 0 FJABMO C/C(=C\c1ccccc1)C[N@@H+]1C[C@@H](c2ccc(F)cc2)[C@H](c2cc[nH]n2)C1 ZINC000012129046 570720871 /nfs/dbraw/zinc/72/08/71/570720871.db2.gz XBROMOWZXFCOPQ-NECQWFDASA-N 1 1 361.464 4.835 40 0 FJABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc4ccccc4cn3)C2)c(OC)c1 ZINC000012187997 570725275 /nfs/dbraw/zinc/72/52/75/570725275.db2.gz OONUAPAENURZJM-IBGZPJMESA-N 1 1 362.473 4.632 40 0 FJABMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000012241124 570731018 /nfs/dbraw/zinc/73/10/18/570731018.db2.gz PLMCTBRIZVVAKB-INIZCTEOSA-N 1 1 350.487 4.841 40 0 FJABMO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000009063650 570797559 /nfs/dbraw/zinc/79/75/59/570797559.db2.gz JGZYZCYRIIRBFG-UHFFFAOYSA-N 1 1 374.887 4.947 40 0 FJABMO c1csc(-c2n[nH]cc2C[N@H+](CCc2ccccc2)Cc2ccncc2)c1 ZINC000019371159 570887968 /nfs/dbraw/zinc/88/79/68/570887968.db2.gz RWVFZWCQYXAJQA-UHFFFAOYSA-N 1 1 374.513 4.778 40 0 FJABMO c1ccc(-c2ccc(C[N@@H+]3[C@@H]4CC[C@H]3Cc3nc(C5CC5)ncc34)cc2)nc1 ZINC000019402654 570888696 /nfs/dbraw/zinc/88/86/96/570888696.db2.gz NHVDXODXPHDQSV-WMZHIEFXSA-N 1 1 368.484 4.678 40 0 FJABMO Cc1c(-c2cccs2)nn2c1nccc2[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000019557702 570893078 /nfs/dbraw/zinc/89/30/78/570893078.db2.gz ABPMAHLAGSIPRH-GOSISDBHSA-N 1 1 374.513 4.756 40 0 FJABMO COc1cc(C)c(C[NH2+][C@@H](Cc2cccs2)c2nccs2)cc1C ZINC000019567399 570894314 /nfs/dbraw/zinc/89/43/14/570894314.db2.gz MNNPQOJOAIVGDY-KRWDZBQOSA-N 1 1 358.532 4.904 40 0 FJABMO Cc1cc(C)cc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000039760121 571022912 /nfs/dbraw/zinc/02/29/12/571022912.db2.gz FLHFZEGRMDWUEG-UHFFFAOYSA-N 1 1 374.887 4.947 40 0 FJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1ccc(Cl)cc1Cl ZINC000225377389 571032063 /nfs/dbraw/zinc/03/20/63/571032063.db2.gz FBWBKLAUCWCIKY-KRWDZBQOSA-N 1 1 371.352 4.697 40 0 FJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(C(C)C)cc1 ZINC000225448776 571036271 /nfs/dbraw/zinc/03/62/71/571036271.db2.gz YPFNCEJLRBVVJH-UHFFFAOYSA-N 1 1 364.518 4.791 40 0 FJABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(C(C)C)cc2)cc1 ZINC000225456109 571036583 /nfs/dbraw/zinc/03/65/83/571036583.db2.gz VZICQHCIQPOEQL-UHFFFAOYSA-N 1 1 364.518 4.791 40 0 FJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NC(C)(C)Cc3ccccc3)cc2)C1 ZINC000225474813 571038233 /nfs/dbraw/zinc/03/82/33/571038233.db2.gz WNWDGTRCUQUDKH-IBGZPJMESA-N 1 1 364.533 4.670 40 0 FJABMO Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225574395 571046735 /nfs/dbraw/zinc/04/67/35/571046735.db2.gz KCXFZFSSTCKNNY-UHFFFAOYSA-N 1 1 360.860 4.638 40 0 FJABMO CC(C)Oc1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000030940427 571052921 /nfs/dbraw/zinc/05/29/21/571052921.db2.gz SJSLDYUOWDCWQE-GOSISDBHSA-N 1 1 366.505 4.958 40 0 FJABMO Fc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000034086983 571085477 /nfs/dbraw/zinc/08/54/77/571085477.db2.gz HSBAYIHQSCXMDL-UKILVPOCSA-N 1 1 374.503 4.974 40 0 FJABMO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2c(F)cccc2F)s1 ZINC000043277875 571100159 /nfs/dbraw/zinc/10/01/59/571100159.db2.gz LSKWVGGVTZVMDY-UHFFFAOYSA-N 1 1 361.461 4.624 40 0 FJABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2c(F)cccc2F)s1 ZINC000043277875 571100164 /nfs/dbraw/zinc/10/01/64/571100164.db2.gz LSKWVGGVTZVMDY-UHFFFAOYSA-N 1 1 361.461 4.624 40 0 FJABMO Fc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccc2ccccc2n1 ZINC000043277840 571100179 /nfs/dbraw/zinc/10/01/79/571100179.db2.gz VWDBWEAIRKEMKN-UHFFFAOYSA-N 1 1 374.463 4.663 40 0 FJABMO Fc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccc2ccccc2n1 ZINC000043277840 571100181 /nfs/dbraw/zinc/10/01/81/571100181.db2.gz VWDBWEAIRKEMKN-UHFFFAOYSA-N 1 1 374.463 4.663 40 0 FJABMO Cc1cccc(C[N@H+]2CCC[C@H](c3cncc(Nc4ncccc4C)n3)C2)c1 ZINC000257228475 571152576 /nfs/dbraw/zinc/15/25/76/571152576.db2.gz FUAPRVVZKLARCY-FQEVSTJZSA-N 1 1 373.504 4.612 40 0 FJABMO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@H+]2Cc2c[nH]c3ccccc23)n1 ZINC000257255506 571154748 /nfs/dbraw/zinc/15/47/48/571154748.db2.gz KHTJDZWTYBGSGP-FQEVSTJZSA-N 1 1 373.460 4.567 40 0 FJABMO Cc1cc(Cc2ccccc2)cc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072356006 571182395 /nfs/dbraw/zinc/18/23/95/571182395.db2.gz PBLJGXIWDFJSSZ-QHCPKHFHSA-N 1 1 357.501 4.755 40 0 FJABMO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000072358336 571183551 /nfs/dbraw/zinc/18/35/51/571183551.db2.gz QNPQJTPHNFQPMB-QGZVFWFLSA-N 1 1 351.494 4.664 40 0 FJABMO Clc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000072358581 571183556 /nfs/dbraw/zinc/18/35/56/571183556.db2.gz JTBQRKKTDAUNPS-GOSISDBHSA-N 1 1 364.880 4.572 40 0 FJABMO Clc1cccc(-c2cncc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072359398 571183830 /nfs/dbraw/zinc/18/38/30/571183830.db2.gz KKHADVPISYHYTB-GOSISDBHSA-N 1 1 364.880 4.572 40 0 FJABMO Cc1ccccc1-c1noc([C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)n1 ZINC000072369932 571185071 /nfs/dbraw/zinc/18/50/71/571185071.db2.gz WIHWMIWOOCZBEQ-INIZCTEOSA-N 1 1 353.853 4.688 40 0 FJABMO CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1CC1CC1 ZINC000072370668 571185449 /nfs/dbraw/zinc/18/54/49/571185449.db2.gz TWGNXGZBMVMTCE-QGZVFWFLSA-N 1 1 370.562 4.800 40 0 FJABMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Nc3ncccn3)n2)cc1C ZINC000072375798 571185819 /nfs/dbraw/zinc/18/58/19/571185819.db2.gz NEUPZJBLTYHRNP-FQEVSTJZSA-N 1 1 359.477 4.569 40 0 FJABMO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000072376749 571186124 /nfs/dbraw/zinc/18/61/24/571186124.db2.gz FNXSINYEJKJKHM-HXUWFJFHSA-N 1 1 362.452 4.592 40 0 FJABMO CC(C)c1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390033 571189558 /nfs/dbraw/zinc/18/95/58/571189558.db2.gz AOKLXMXIVVYTDV-IBGZPJMESA-N 1 1 362.477 4.635 40 0 FJABMO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020452685 571305150 /nfs/dbraw/zinc/30/51/50/571305150.db2.gz ARADLAYSKOKUOL-PMACEKPBSA-N 1 1 364.533 4.670 40 0 FJABMO C[C@H](CCc1ccccc1)NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000215908089 222654839 /nfs/dbraw/zinc/65/48/39/222654839.db2.gz ARADLAYSKOKUOL-WOJBJXKFSA-N 1 1 364.533 4.670 40 0 FJABMO Fc1ccc(C[N@@H+]2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)cc1 ZINC000306131066 210050852 /nfs/dbraw/zinc/05/08/52/210050852.db2.gz JVOPSZFPJJXMQS-NRFANRHFSA-N 1 1 372.447 4.873 40 0 FJABMO Fc1ccc(C[N@H+]2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)cc1 ZINC000306131066 210050856 /nfs/dbraw/zinc/05/08/56/210050856.db2.gz JVOPSZFPJJXMQS-NRFANRHFSA-N 1 1 372.447 4.873 40 0 FJABMO Fc1ccc(CN2CCC[C@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)cc1 ZINC000306131066 210050858 /nfs/dbraw/zinc/05/08/58/210050858.db2.gz JVOPSZFPJJXMQS-NRFANRHFSA-N 1 1 372.447 4.873 40 0 FJABMO c1csc(C[N@H+]2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 ZINC000306123358 210049486 /nfs/dbraw/zinc/04/94/86/210049486.db2.gz AKXDYIKPQILULJ-IBGZPJMESA-N 1 1 360.486 4.795 40 0 FJABMO Cc1cccnc1Nc1cncc([C@@H]2CCC[N@@H+](CC3CCCCC3)C2)n1 ZINC000257314951 223063344 /nfs/dbraw/zinc/06/33/44/223063344.db2.gz UZGPBHLYMSANIR-LJQANCHMSA-N 1 1 365.525 4.683 40 0 FJABMO Cc1cccnc1Nc1cncc([C@H]2CCC[N@@H+](CC3CCCCC3)C2)n1 ZINC000257314950 223062849 /nfs/dbraw/zinc/06/28/49/223062849.db2.gz UZGPBHLYMSANIR-IBGZPJMESA-N 1 1 365.525 4.683 40 0 FJABMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2cccc(F)c2)cc1 ZINC000005155758 204194448 /nfs/dbraw/zinc/19/44/48/204194448.db2.gz UVOCKBWJADXADZ-VABKMULXSA-N 1 1 369.480 4.703 40 0 FJABMO Fc1ccc2oc([C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 ZINC000035446917 204283534 /nfs/dbraw/zinc/28/35/34/204283534.db2.gz PBHOPUXTAPAFIU-ZDUSSCGKSA-N 1 1 364.342 4.975 40 0 biogenic,in-vitro FJABMO Cc1c(Cl)cccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038849625 205042310 /nfs/dbraw/zinc/04/23/10/205042310.db2.gz IGWUJLCEUCKWPH-MRXNPFEDSA-N 1 1 360.860 4.638 40 0 FJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1c(C)nn(C(C)C)c1C ZINC000036741276 205021372 /nfs/dbraw/zinc/02/13/72/205021372.db2.gz CFRADDLXFKVKJF-IBGZPJMESA-N 1 1 374.598 4.629 40 0 FJABMO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038833462 205042836 /nfs/dbraw/zinc/04/28/36/205042836.db2.gz WLSONQXVTOPOAU-SFHVURJKSA-N 1 1 356.897 4.808 40 0 FJABMO CCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038858877 205044050 /nfs/dbraw/zinc/04/40/50/205044050.db2.gz JMQRGRWARODCCG-OAHLLOKOSA-N 1 1 357.325 4.512 40 0 FJABMO CCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038858877 205044055 /nfs/dbraw/zinc/04/40/55/205044055.db2.gz JMQRGRWARODCCG-OAHLLOKOSA-N 1 1 357.325 4.512 40 0 FJABMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038859331 205044543 /nfs/dbraw/zinc/04/45/43/205044543.db2.gz PCUPHPKLQRMQLM-ZIAGYGMSSA-N 1 1 357.325 4.510 40 0 FJABMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038859331 205044545 /nfs/dbraw/zinc/04/45/45/205044545.db2.gz PCUPHPKLQRMQLM-ZIAGYGMSSA-N 1 1 357.325 4.510 40 0 FJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 ZINC000044937000 205116649 /nfs/dbraw/zinc/11/66/49/205116649.db2.gz SQRSQNPRJHIWRX-QFIPXVFZSA-N 1 1 361.489 4.757 40 0 FJABMO Clc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC[C@H]2CCCO2)cc1 ZINC000000888777 206138710 /nfs/dbraw/zinc/13/87/10/206138710.db2.gz LKDNTBMRPZKHID-OAHLLOKOSA-N 1 1 362.260 4.899 40 0 FJABMO Fc1ccc(C[N@H+](Cc2c[nH]nc2-c2ccccc2)Cc2cccnc2)cc1 ZINC000013569172 206303051 /nfs/dbraw/zinc/30/30/51/206303051.db2.gz YPRBYBITJQWCFP-UHFFFAOYSA-N 1 1 372.447 4.813 40 0 FJABMO Fc1ccc(C[N@@H+](Cc2c[nH]nc2-c2ccccc2)Cc2cccnc2)cc1 ZINC000013569172 206303056 /nfs/dbraw/zinc/30/30/56/206303056.db2.gz YPRBYBITJQWCFP-UHFFFAOYSA-N 1 1 372.447 4.813 40 0 FJABMO CSc1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000022509181 211352779 /nfs/dbraw/zinc/35/27/79/211352779.db2.gz ILHDFWUIKITQQF-MRXNPFEDSA-N 1 1 354.519 4.893 40 0 FJABMO COc1ccc(Cl)cc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020481275 211283217 /nfs/dbraw/zinc/28/32/17/211283217.db2.gz VBYMMIUNBAHRQX-OAHLLOKOSA-N 1 1 372.896 4.833 40 0 FJABMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(F)cc1 ZINC000020046907 211265176 /nfs/dbraw/zinc/26/51/76/211265176.db2.gz VLLIYTVYPXHALX-SJORKVTESA-N 1 1 354.469 4.549 40 0 FJABMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2c(C)nc3ccc(Cl)cn32)c1 ZINC000019715702 211249597 /nfs/dbraw/zinc/24/95/97/211249597.db2.gz WHSYIMZOINRODI-SFHVURJKSA-N 1 1 355.869 4.642 40 0 FJABMO COc1cccc([C@@H]2CCC[N@H+]2Cc2c(C)nc3ccc(Cl)cn32)c1 ZINC000019715702 211249601 /nfs/dbraw/zinc/24/96/01/211249601.db2.gz WHSYIMZOINRODI-SFHVURJKSA-N 1 1 355.869 4.642 40 0 FJABMO COc1ccc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)c(C)s2)cc1 ZINC000019559895 211234072 /nfs/dbraw/zinc/23/40/72/211234072.db2.gz YAUDJTQUKXOPPD-GOSISDBHSA-N 1 1 358.532 4.904 40 0 FJABMO Cc1cc(C[C@@H]2CCC[C@H]2[N@@H+](Cc2cccs2)Cc2ccncc2)on1 ZINC000019120496 211201827 /nfs/dbraw/zinc/20/18/27/211201827.db2.gz CNRFVWGKIQCBAL-GHTZIAJQSA-N 1 1 367.518 4.853 40 0 FJABMO Cc1cc2nc([C@H]3CCC[N@H+](C4CCCCC4)C3)cc(C(F)(F)F)n2n1 ZINC000013226824 211028842 /nfs/dbraw/zinc/02/88/42/211028842.db2.gz XVASHKJSVAUYCK-AWEZNQCLSA-N 1 1 366.431 4.569 40 0 FJABMO Fc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 ZINC000049169021 221020456 /nfs/dbraw/zinc/02/04/56/221020456.db2.gz GEYNCDPYQZKMAZ-ZDUSSCGKSA-N 1 1 363.358 4.710 40 0 biogenic,in-vitro FJABMO Fc1ccc2nc([C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)[nH]c2c1 ZINC000049169021 221020457 /nfs/dbraw/zinc/02/04/57/221020457.db2.gz GEYNCDPYQZKMAZ-ZDUSSCGKSA-N 1 1 363.358 4.710 40 0 biogenic,in-vitro FJABMO Fc1ccc2nc([C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)[nH]c2c1 ZINC000049169021 221020460 /nfs/dbraw/zinc/02/04/60/221020460.db2.gz GEYNCDPYQZKMAZ-ZDUSSCGKSA-N 1 1 363.358 4.710 40 0 biogenic,in-vitro FJABMO Cn1c2ccccc2nc1[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000049171205 221020850 /nfs/dbraw/zinc/02/08/50/221020850.db2.gz FCOFPJYCVANOKC-HNNXBMFYSA-N 1 1 359.395 4.582 40 0 biogenic,in-vitro FJABMO Cc1cccc(C(=O)Nc2cc([NH+]3C[C@H](C)C[C@@H](C)C3)c(C)cc2N)c1 ZINC000216866921 132271507 /nfs/dbraw/zinc/27/15/07/132271507.db2.gz UGDWBJPHNRRQPD-HZPDHXFCSA-N 1 1 351.494 4.620 40 0 FJABMO Clc1ccccc1CN1CCC[C@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000096214648 222080179 /nfs/dbraw/zinc/08/01/79/222080179.db2.gz KDUUEEJSPMAZLZ-QFIPXVFZSA-N 1 1 354.925 4.971 40 0 FJABMO Clc1ccccc1C[N@@H+]1CCC[C@]12CCCN(Cc1ccccc1)C2 ZINC000096214648 222080181 /nfs/dbraw/zinc/08/01/81/222080181.db2.gz KDUUEEJSPMAZLZ-QFIPXVFZSA-N 1 1 354.925 4.971 40 0 FJABMO Clc1ccccc1C[N@H+]1CCC[C@]12CCCN(Cc1ccccc1)C2 ZINC000096214648 222080184 /nfs/dbraw/zinc/08/01/84/222080184.db2.gz KDUUEEJSPMAZLZ-QFIPXVFZSA-N 1 1 354.925 4.971 40 0 FJABMO COc1ccc(C[NH2+][C@H](Cc2cccs2)c2nccs2)c(C)c1C ZINC000019577414 263374286 /nfs/dbraw/zinc/37/42/86/263374286.db2.gz GFJUAOMHOCTTKM-QGZVFWFLSA-N 1 1 358.532 4.904 40 0 FJABMO CC(C)C[N@H+]1CCC[C@H]1c1nc(-c2ccc(OC3CCCCC3)nc2)no1 ZINC000035425512 560080259 /nfs/dbraw/zinc/08/02/59/560080259.db2.gz ASPNREICVDRVDX-SFHVURJKSA-N 1 1 370.497 4.636 40 0 biogenic,in-vitro FJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000223502673 568662370 /nfs/dbraw/zinc/66/23/70/568662370.db2.gz KIVMNOBAOAFNQU-SFHVURJKSA-N 1 1 361.489 4.656 40 0 FJABMO c1csc(CN[C@@H]2CC3(CC[NH+](CC4CC4)CC3)Oc3ccccc32)c1 ZINC000096242805 570480121 /nfs/dbraw/zinc/48/01/21/570480121.db2.gz OYRSVIVAVREDKG-HXUWFJFHSA-N 1 1 368.546 4.606 40 0 FJABMO C[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215637 570527764 /nfs/dbraw/zinc/52/77/64/570527764.db2.gz IKRPWWDGVQMLJL-GOSISDBHSA-N 1 1 359.514 4.923 40 0 FJABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215325 570531038 /nfs/dbraw/zinc/53/10/38/570531038.db2.gz SOYGEFNYRVQWTR-GOSISDBHSA-N 1 1 359.514 4.778 40 0 FJABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215441 570531694 /nfs/dbraw/zinc/53/16/94/570531694.db2.gz CGHHPTGHTAFXPX-GOSISDBHSA-N 1 1 359.514 4.921 40 0 FJABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215401 570531705 /nfs/dbraw/zinc/53/17/05/570531705.db2.gz IJQWYGMZODBDSX-SFHVURJKSA-N 1 1 359.514 4.923 40 0 FJABMO C[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215576 570532223 /nfs/dbraw/zinc/53/22/23/570532223.db2.gz OLWOHLVAFVNJFR-SFHVURJKSA-N 1 1 359.514 4.923 40 0 FJABMO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044934860 570539257 /nfs/dbraw/zinc/53/92/57/570539257.db2.gz YWLNRFLHNUCKAM-ICSRJNTNSA-N 1 1 368.496 4.532 40 0 FJABMO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000072376753 570546847 /nfs/dbraw/zinc/54/68/47/570546847.db2.gz IUVIBVBVXNWYCY-HXUWFJFHSA-N 1 1 362.452 4.592 40 0 FJABMO Fc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccccn3)no2)cc1 ZINC000012143944 570722036 /nfs/dbraw/zinc/72/20/36/570722036.db2.gz PRIIDKFDYUIBCQ-FQEVSTJZSA-N 1 1 351.425 4.993 40 0 FJABMO Fc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccccn3)no2)cc1 ZINC000012143944 570722043 /nfs/dbraw/zinc/72/20/43/570722043.db2.gz PRIIDKFDYUIBCQ-FQEVSTJZSA-N 1 1 351.425 4.993 40 0 FJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3cccnc3)no2)cc1 ZINC000012143932 570722143 /nfs/dbraw/zinc/72/21/43/570722143.db2.gz SFIAZIGJMVXTNR-NRFANRHFSA-N 1 1 363.461 4.863 40 0 FJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3cccnc3)no2)cc1 ZINC000012143932 570722151 /nfs/dbraw/zinc/72/21/51/570722151.db2.gz SFIAZIGJMVXTNR-NRFANRHFSA-N 1 1 363.461 4.863 40 0 FJABMO COc1c(C)cccc1C[NH2+][C@H](Cc1ccsc1)c1ccc(C)cn1 ZINC000019215557 570881807 /nfs/dbraw/zinc/88/18/07/570881807.db2.gz HMVSJKDKOKMCEK-HXUWFJFHSA-N 1 1 352.503 4.842 40 0 FJABMO Cc1csc([C@H](Cc2ccsc2)[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)n1 ZINC000019240236 570884359 /nfs/dbraw/zinc/88/43/59/570884359.db2.gz CYHJYUDJHSLAKL-KDOFPFPSSA-N 1 1 370.543 4.910 40 0 FJABMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nc(-c2cccnc2OC2CCCCC2)no1 ZINC000019496084 570890137 /nfs/dbraw/zinc/89/01/37/570890137.db2.gz VIVGZCFEEOYASN-IYBDPMFKSA-N 1 1 370.497 4.606 40 0 FJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3cccnc3)on2)cc1 ZINC000019558083 570893040 /nfs/dbraw/zinc/89/30/40/570893040.db2.gz DZDZBOVYVICGQV-NRFANRHFSA-N 1 1 363.461 4.863 40 0 FJABMO COc1cc(C)c(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)cc1C ZINC000019567404 570894296 /nfs/dbraw/zinc/89/42/96/570894296.db2.gz ADRANSXSDSXIRP-KRWDZBQOSA-N 1 1 358.532 4.904 40 0 FJABMO CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220714 571027789 /nfs/dbraw/zinc/02/77/89/571027789.db2.gz CSMOUCKAIVJUJI-GOSISDBHSA-N 1 1 356.897 4.753 40 0 FJABMO CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220567 571027968 /nfs/dbraw/zinc/02/79/68/571027968.db2.gz NMGLLLMYBLLZQZ-KRWDZBQOSA-N 1 1 372.896 4.589 40 0 FJABMO Cc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225574358 571046659 /nfs/dbraw/zinc/04/66/59/571046659.db2.gz PJSJCVWTFAIVKQ-UHFFFAOYSA-N 1 1 360.860 4.638 40 0 FJABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225574455 571046678 /nfs/dbraw/zinc/04/66/78/571046678.db2.gz TXTINNDQCTVNJM-UHFFFAOYSA-N 1 1 360.860 4.638 40 0 FJABMO CCCCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000030938174 571052858 /nfs/dbraw/zinc/05/28/58/571052858.db2.gz NLAIVDSSMYQABA-OAQYLSRUSA-N 1 1 350.506 4.880 40 0 FJABMO S=C(Nc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000035311838 571076392 /nfs/dbraw/zinc/07/63/92/571076392.db2.gz UGEXXCHEIXWTRU-SEJPIABJSA-N 1 1 365.546 4.559 40 0 FJABMO CCOc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834283 571086973 /nfs/dbraw/zinc/08/69/73/571086973.db2.gz FERWOKBIOOTKRM-KRWDZBQOSA-N 1 1 372.896 4.589 40 0 FJABMO O=C(Nc1ccccc1Cl)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038833752 571087348 /nfs/dbraw/zinc/08/73/48/571087348.db2.gz ZFXVRXWNPGFHAO-HNNXBMFYSA-N 1 1 363.288 4.844 40 0 FJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000038849823 571087659 /nfs/dbraw/zinc/08/76/59/571087659.db2.gz FPRFOGCKNZJFJJ-UHFFFAOYSA-N 1 1 359.351 4.511 40 0 FJABMO CSc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044786557 571102107 /nfs/dbraw/zinc/10/21/07/571102107.db2.gz XZVRZFRGAUHVRH-MRXNPFEDSA-N 1 1 374.937 4.913 40 0 FJABMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000044856338 571103088 /nfs/dbraw/zinc/10/30/88/571103088.db2.gz VGIYDNIGQNEADS-GHTZIAJQSA-N 1 1 368.496 4.532 40 0 FJABMO C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000044912825 571104985 /nfs/dbraw/zinc/10/49/85/571104985.db2.gz SVAWLAPZEJNREM-QFBILLFUSA-N 1 1 368.908 4.530 40 0 FJABMO CCSc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044938580 571105272 /nfs/dbraw/zinc/10/52/72/571105272.db2.gz YWHAKFKWUBZTFR-QGZVFWFLSA-N 1 1 372.509 4.788 40 0 FJABMO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@H+]2Cc2c[nH]c3ccccc23)n1 ZINC000257255507 571154732 /nfs/dbraw/zinc/15/47/32/571154732.db2.gz KHTJDZWTYBGSGP-HXUWFJFHSA-N 1 1 373.460 4.567 40 0 FJABMO COc1cccc(-c2cccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348843 571180314 /nfs/dbraw/zinc/18/03/14/571180314.db2.gz GXDYPEKTNDEOIE-FQEVSTJZSA-N 1 1 359.473 4.532 40 0 FJABMO Fc1ccccc1Cc1cccc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072348854 571180490 /nfs/dbraw/zinc/18/04/90/571180490.db2.gz SFLHXKNHWLPAAR-FQEVSTJZSA-N 1 1 361.464 4.586 40 0 FJABMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cncc(Nc3ccccn3)n2)cc1C ZINC000072376435 571186146 /nfs/dbraw/zinc/18/61/46/571186146.db2.gz RJKYUCMQJXJDES-FQEVSTJZSA-N 1 1 359.477 4.569 40 0 FJABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+](Cc4ccc(C)cc4)C3)o2)s1 ZINC000072390096 571189524 /nfs/dbraw/zinc/18/95/24/571189524.db2.gz OODKBXQKLGMKID-QGZVFWFLSA-N 1 1 353.491 4.795 40 0 FJABMO Clc1ccccc1C[N@H+]1CCC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000072390075 571189637 /nfs/dbraw/zinc/18/96/37/571189637.db2.gz LJYBXIGTMOEAPK-AWEZNQCLSA-N 1 1 359.882 4.831 40 0 FJABMO Clc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 ZINC000072390076 571189678 /nfs/dbraw/zinc/18/96/78/571189678.db2.gz LJYBXIGTMOEAPK-CQSZACIVSA-N 1 1 359.882 4.831 40 0 FJABMO Clc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC[C@@H]2CCCO2)cc1 ZINC000000888779 219336548 /nfs/dbraw/zinc/33/65/48/219336548.db2.gz LKDNTBMRPZKHID-HNNXBMFYSA-N 1 1 362.260 4.899 40 0 FJABMO COc1cc(-c2[nH+]c3cc(C)ccn3c2NC2CCCCC2)ccc1O ZINC000000881955 209380416 /nfs/dbraw/zinc/38/04/16/209380416.db2.gz VZNAHNPPCGRAIR-UHFFFAOYSA-N 1 1 351.450 4.769 40 0 FJABMO c1ccc(CN2C[C@H]3C[NH+](Cc4ccc(-c5ccccc5)cc4)C[C@@H]3C2)cc1 ZINC000096245626 209144599 /nfs/dbraw/zinc/14/45/99/209144599.db2.gz NRDJASDCGQPBAS-UIOOFZCWSA-N 1 1 368.524 4.917 40 0 FJABMO c1ccc(C[NH+]2C[C@H]3CN(Cc4ccc(-c5ccccc5)cc4)C[C@@H]3C2)cc1 ZINC000096245626 209144603 /nfs/dbraw/zinc/14/46/03/209144603.db2.gz NRDJASDCGQPBAS-UIOOFZCWSA-N 1 1 368.524 4.917 40 0 FJABMO CCOc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(OC)cc2)cc1 ZINC000013570216 220074594 /nfs/dbraw/zinc/07/45/94/220074594.db2.gz DYSQWUJHIAQJJN-UHFFFAOYSA-N 1 1 362.473 4.691 40 0 FJABMO O=C(C[NH+]1CCCCCC1)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000016740509 220192301 /nfs/dbraw/zinc/19/23/01/220192301.db2.gz WIJSUWAGIVSYFF-UHFFFAOYSA-N 1 1 365.502 4.778 40 0 FJABMO Cc1cccnc1[C@H](Cc1ccsc1)[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000019237632 220242958 /nfs/dbraw/zinc/24/29/58/220242958.db2.gz XWRUEOFVPQKUSQ-KRWDZBQOSA-N 1 1 354.523 4.546 40 0 FJABMO COc1ccc(OC)c(C[NH2+][C@@H](Cc2cccs2)c2nc(C)cs2)c1 ZINC000019240070 220243789 /nfs/dbraw/zinc/24/37/89/220243789.db2.gz RKZBPQJQJLIQFN-KRWDZBQOSA-N 1 1 374.531 4.604 40 0 FJABMO COc1cc(C[NH2+][C@@H](Cc2cccs2)c2nc(C)cs2)cc(OC)c1 ZINC000019240066 220243847 /nfs/dbraw/zinc/24/38/47/220243847.db2.gz FKJXBSIMFANUIM-SFHVURJKSA-N 1 1 374.531 4.604 40 0 FJABMO Cc1[nH+]ccn1CCCC(=O)Nc1ccccc1Oc1ccc(F)cc1 ZINC000019288124 220247060 /nfs/dbraw/zinc/24/70/60/220247060.db2.gz ZBCHXPLTFHVKMG-UHFFFAOYSA-N 1 1 353.397 4.542 40 0 FJABMO Cc1c(-c2cccs2)nn2c1nccc2[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000019557705 220270787 /nfs/dbraw/zinc/27/07/87/220270787.db2.gz ABPMAHLAGSIPRH-SFHVURJKSA-N 1 1 374.513 4.756 40 0 FJABMO Cc1noc(-c2cn[nH]c2[C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)c1C ZINC000019558081 220271387 /nfs/dbraw/zinc/27/13/87/220271387.db2.gz TWHMSVVCNMUREH-KRWDZBQOSA-N 1 1 356.857 4.672 40 0 FJABMO Cc1noc(-c2cn[nH]c2[C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2)c1C ZINC000019558081 220271393 /nfs/dbraw/zinc/27/13/93/220271393.db2.gz TWHMSVVCNMUREH-KRWDZBQOSA-N 1 1 356.857 4.672 40 0 FJABMO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)c1C ZINC000019557970 220271411 /nfs/dbraw/zinc/27/14/11/220271411.db2.gz ZVOJFOLATYYFDT-SFHVURJKSA-N 1 1 354.429 4.548 40 0 FJABMO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)c1C ZINC000019557970 220271415 /nfs/dbraw/zinc/27/14/15/220271415.db2.gz ZVOJFOLATYYFDT-SFHVURJKSA-N 1 1 354.429 4.548 40 0 FJABMO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2ncccc23)ccc1OC1CCCC1 ZINC000019550118 220271948 /nfs/dbraw/zinc/27/19/48/220271948.db2.gz NLDGMHHMQXCFPE-LAUBAEHRSA-N 1 1 364.489 4.673 40 0 FJABMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2ncccc23)ccc1OC1CCCC1 ZINC000019550118 220271949 /nfs/dbraw/zinc/27/19/49/220271949.db2.gz NLDGMHHMQXCFPE-LAUBAEHRSA-N 1 1 364.489 4.673 40 0 FJABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000005164653 207084123 /nfs/dbraw/zinc/08/41/23/207084123.db2.gz HMOJGKUPOBIJBW-SGNDLWITSA-N 1 1 365.517 4.872 40 0 FJABMO CCOc1ccc(C(=O)CN(c2cccc(C)c2C)C2=[NH+]CCCC2)cc1 ZINC000006870328 207173786 /nfs/dbraw/zinc/17/37/86/207173786.db2.gz HHWVRLSPOFXMLS-UHFFFAOYSA-N 1 1 364.489 4.974 40 0 FJABMO Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)NC2CCCCC2)C3)cc1 ZINC000012499305 207383459 /nfs/dbraw/zinc/38/34/59/207383459.db2.gz CJXAPECVTXGGGB-FRIKZZABSA-N 1 1 369.553 4.512 40 0 FJABMO Cc1noc2nc([C@H]3CCC[N@@H+](Cc4cccc(C)n4)C3)cc(C(F)F)c12 ZINC000019236223 207651376 /nfs/dbraw/zinc/65/13/76/207651376.db2.gz BSHKLQNUVVOLCE-AWEZNQCLSA-N 1 1 372.419 4.552 40 0 FJABMO O=C(NC1CCCCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030944006 208008569 /nfs/dbraw/zinc/00/85/69/208008569.db2.gz VQORJZJXOCTZCI-GOSISDBHSA-N 1 1 362.945 4.781 40 0 FJABMO FC(F)(F)Oc1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000035446528 208124633 /nfs/dbraw/zinc/12/46/33/208124633.db2.gz QSZCNPIMKZCFCG-AWEZNQCLSA-N 1 1 362.351 4.716 40 0 biogenic,in-vitro FJABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c(C)c1 ZINC000038833337 208206475 /nfs/dbraw/zinc/20/64/75/208206475.db2.gz VZGCPNLIKRYNKH-GOSISDBHSA-N 1 1 356.897 4.808 40 0 FJABMO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000038856092 208207528 /nfs/dbraw/zinc/20/75/28/208207528.db2.gz APPGOWJQSGFYEY-LJQANCHMSA-N 1 1 354.469 4.602 40 0 FJABMO O=C(NC1CCCCC1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832552 208205101 /nfs/dbraw/zinc/20/51/01/208205101.db2.gz ZJLLMWJQQGGXLL-CQSZACIVSA-N 1 1 369.336 4.654 40 0 FJABMO O=C(NC1CCCCC1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832552 208205107 /nfs/dbraw/zinc/20/51/07/208205107.db2.gz ZJLLMWJQQGGXLL-CQSZACIVSA-N 1 1 369.336 4.654 40 0 FJABMO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038833458 208205280 /nfs/dbraw/zinc/20/52/80/208205280.db2.gz DLIURSFFQPDCRL-SFHVURJKSA-N 1 1 356.897 4.808 40 0 FJABMO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1)c1ccc(C)cc1C ZINC000044856728 208319382 /nfs/dbraw/zinc/31/93/82/208319382.db2.gz UDVBVEAESNBZQT-JOCHJYFZSA-N 1 1 361.489 4.738 40 0 FJABMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cnn(C3CCCCC3)c2)cc1OC ZINC000019658051 220283875 /nfs/dbraw/zinc/28/38/75/220283875.db2.gz YLPSMKBJTDRUJL-HXUWFJFHSA-N 1 1 369.509 4.743 40 0 FJABMO COc1ccc([C@H]2CCC[N@H+]2Cc2cnn(C3CCCCC3)c2)cc1OC ZINC000019658051 220283879 /nfs/dbraw/zinc/28/38/79/220283879.db2.gz YLPSMKBJTDRUJL-HXUWFJFHSA-N 1 1 369.509 4.743 40 0 FJABMO COc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000072358516 208837889 /nfs/dbraw/zinc/83/78/89/208837889.db2.gz SYDDHUZZHKNJNO-NRFANRHFSA-N 1 1 373.500 4.574 40 0 FJABMO Fc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 ZINC000049169415 221020417 /nfs/dbraw/zinc/02/04/17/221020417.db2.gz HOQBLBLEFMOKEA-HNNXBMFYSA-N 1 1 357.816 4.519 40 0 biogenic,in-vitro FJABMO Cc1nc(NCc2ccccc2)cc(N2Cc3ccccc3C(C)(C)C2)[nH+]1 ZINC000328967571 132371800 /nfs/dbraw/zinc/37/18/00/132371800.db2.gz CVRZUYAKAGRPTD-UHFFFAOYSA-N 1 1 358.489 4.695 40 0 FJABMO CC[C@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000328962039 132371907 /nfs/dbraw/zinc/37/19/07/132371907.db2.gz BGTKFUAJYUTBHE-HNNXBMFYSA-N 1 1 350.510 4.862 40 0 FJABMO CC[C@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]c(C2CC2)n1 ZINC000328962039 132371908 /nfs/dbraw/zinc/37/19/08/132371908.db2.gz BGTKFUAJYUTBHE-HNNXBMFYSA-N 1 1 350.510 4.862 40 0 FJABMO Cc1ccc2[nH]c(=O)c(CNc3ccc([N@@H+]4CCC[C@H](C)C4)cc3)cc2c1 ZINC000072396140 136144825 /nfs/dbraw/zinc/14/48/25/136144825.db2.gz LYKJMWMLASIQBE-KRWDZBQOSA-N 1 1 361.489 4.685 40 0 FJABMO Cc1ccc2[nH]c(=O)c(CNc3ccc([N@H+]4CCC[C@H](C)C4)cc3)cc2c1 ZINC000072396140 136144826 /nfs/dbraw/zinc/14/48/26/136144826.db2.gz LYKJMWMLASIQBE-KRWDZBQOSA-N 1 1 361.489 4.685 40 0 FJABMO Cc1ccc2[nH]c(=O)c(CNc3ccc([N@@H+]4CCC[C@@H](C)C4)cc3)cc2c1 ZINC000072396141 136144932 /nfs/dbraw/zinc/14/49/32/136144932.db2.gz LYKJMWMLASIQBE-QGZVFWFLSA-N 1 1 361.489 4.685 40 0 FJABMO Cc1ccc2[nH]c(=O)c(CNc3ccc([N@H+]4CCC[C@@H](C)C4)cc3)cc2c1 ZINC000072396141 136144933 /nfs/dbraw/zinc/14/49/33/136144933.db2.gz LYKJMWMLASIQBE-QGZVFWFLSA-N 1 1 361.489 4.685 40 0 FJABMO CCOc1ccc(N(CC(=O)c2cccs2)C2=[NH+]CCCCC2)cc1 ZINC000006870385 263348091 /nfs/dbraw/zinc/34/80/91/263348091.db2.gz MVCCKCARNJMNJX-UHFFFAOYSA-N 1 1 356.491 4.809 40 0 FJABMO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000008560144 263355940 /nfs/dbraw/zinc/35/59/40/263355940.db2.gz RJQGLVKBKBQJEN-BETUJISGSA-N 1 1 363.914 4.665 40 0 FJABMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000008560144 263355944 /nfs/dbraw/zinc/35/59/44/263355944.db2.gz RJQGLVKBKBQJEN-BETUJISGSA-N 1 1 363.914 4.665 40 0 FJABMO Cc1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020459175 524318283 /nfs/dbraw/zinc/31/82/83/524318283.db2.gz CFMUEJMTWZMMFO-HXUWFJFHSA-N 1 1 364.533 4.590 40 0 FJABMO Fc1ccc(CN2C[C@@H]3C[C@H](c4ccc(Cl)cc4)[N@H+]4CCC[C@]34C2)cc1 ZINC000247542640 526335191 /nfs/dbraw/zinc/33/51/91/526335191.db2.gz SVFQQPZSZOXLGQ-BWAGFHJFSA-N 1 1 370.899 4.891 40 0 FJABMO Fc1ccc(C[N@@H+]2C[C@@H]3C[C@H](c4ccc(Cl)cc4)N4CCC[C@]34C2)cc1 ZINC000247542640 526335195 /nfs/dbraw/zinc/33/51/95/526335195.db2.gz SVFQQPZSZOXLGQ-BWAGFHJFSA-N 1 1 370.899 4.891 40 0 FJABMO Fc1ccc(C[N@H+]2C[C@@H]3C[C@H](c4ccc(Cl)cc4)N4CCC[C@]34C2)cc1 ZINC000247542640 526335200 /nfs/dbraw/zinc/33/52/00/526335200.db2.gz SVFQQPZSZOXLGQ-BWAGFHJFSA-N 1 1 370.899 4.891 40 0 FJABMO Cc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 ZINC000035446575 560079261 /nfs/dbraw/zinc/07/92/61/560079261.db2.gz BQUHIEKANXEKGH-HNNXBMFYSA-N 1 1 359.395 4.880 40 0 biogenic,in-vitro FJABMO Cc1ccc2nc([C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)[nH]c2c1 ZINC000035446575 560079262 /nfs/dbraw/zinc/07/92/62/560079262.db2.gz BQUHIEKANXEKGH-HNNXBMFYSA-N 1 1 359.395 4.880 40 0 biogenic,in-vitro FJABMO Cc1ccc2nc([C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)[nH]c2c1 ZINC000035446575 560079263 /nfs/dbraw/zinc/07/92/63/560079263.db2.gz BQUHIEKANXEKGH-HNNXBMFYSA-N 1 1 359.395 4.880 40 0 biogenic,in-vitro FJABMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(F)cc1 ZINC000216118505 568106711 /nfs/dbraw/zinc/10/67/11/568106711.db2.gz VLLIYTVYPXHALX-IAGOWNOFSA-N 1 1 354.469 4.549 40 0 FJABMO COc1ccc(C(=O)CN(c2cccc(C)c2)C2=[NH+]CCCCC2)cc1 ZINC000008414561 568313386 /nfs/dbraw/zinc/31/33/86/568313386.db2.gz OLRFJGFMWWEZAD-UHFFFAOYSA-N 1 1 350.462 4.665 40 0 FJABMO Cc1cccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=[NH+]CCCC2)c1 ZINC000008414550 568313438 /nfs/dbraw/zinc/31/34/38/568313438.db2.gz TXLXYVQLUOXULE-UHFFFAOYSA-N 1 1 372.415 4.868 40 0 FJABMO CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072214488 570530117 /nfs/dbraw/zinc/53/01/17/570530117.db2.gz GTAFWVWAHRFTSZ-LJQANCHMSA-N 1 1 367.493 4.790 40 0 FJABMO CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072214487 570530162 /nfs/dbraw/zinc/53/01/62/570530162.db2.gz GTAFWVWAHRFTSZ-IBGZPJMESA-N 1 1 367.493 4.790 40 0 FJABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215443 570531627 /nfs/dbraw/zinc/53/16/27/570531627.db2.gz LMECLZAKCFBOCZ-GOSISDBHSA-N 1 1 359.514 4.923 40 0 FJABMO CCC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215504 570531686 /nfs/dbraw/zinc/53/16/86/570531686.db2.gz VZSSDYRAXVOMDY-SFHVURJKSA-N 1 1 359.514 4.923 40 0 FJABMO C[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215668 570532910 /nfs/dbraw/zinc/53/29/10/570532910.db2.gz VEZCNEOJTLTVPH-GOSISDBHSA-N 1 1 359.514 4.923 40 0 FJABMO Cc1[nH+]c(N2CCCCC2)ccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072219316 570534415 /nfs/dbraw/zinc/53/44/15/570534415.db2.gz RZHPWNUEVWFDHW-NRFANRHFSA-N 1 1 363.505 4.748 40 0 FJABMO Cc1ccc(-c2noc([C@H]3CC[N@@H+](Cc4cccc5cccnc54)C3)n2)cc1 ZINC000072369984 570546788 /nfs/dbraw/zinc/54/67/88/570546788.db2.gz MSDUWWYIJKGSRE-FQEVSTJZSA-N 1 1 370.456 4.583 40 0 FJABMO Cc1cc(C)cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccs2)c1 ZINC000004886424 570612263 /nfs/dbraw/zinc/61/22/63/570612263.db2.gz IRLUKAZRDUMIGH-YQQQUEKLSA-N 1 1 369.534 4.682 40 0 FJABMO Cc1ccc(-c2[nH+]c3ccccn3c2NCc2ccc3c(c2)OCO3)cc1 ZINC000004848424 570669727 /nfs/dbraw/zinc/66/97/27/570669727.db2.gz FSHZBBIWLWCYKY-UHFFFAOYSA-N 1 1 357.413 4.651 40 0 FJABMO CCc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CCCC2)cc1 ZINC000004857131 570671451 /nfs/dbraw/zinc/67/14/51/570671451.db2.gz XUZJWZGWBYJWQF-VCSGRIEYSA-N 1 1 371.594 4.864 40 0 FJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000013674032 570783807 /nfs/dbraw/zinc/78/38/07/570783807.db2.gz MHPNFTJMVGDIIC-JOCHJYFZSA-N 1 1 350.506 4.738 40 0 FJABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1C ZINC000009063652 570797695 /nfs/dbraw/zinc/79/76/95/570797695.db2.gz WWXHSUQHYUMVIV-UHFFFAOYSA-N 1 1 374.887 4.947 40 0 FJABMO C[C@H](C[N@@H+](C)Cc1c2cccnc2[nH]c1C1CCOCC1)c1ccccc1 ZINC000019455971 570889592 /nfs/dbraw/zinc/88/95/92/570889592.db2.gz TTWYRXKUCDNSBF-QGZVFWFLSA-N 1 1 363.505 4.692 40 0 FJABMO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1C ZINC000019557947 570893166 /nfs/dbraw/zinc/89/31/66/570893166.db2.gz DOHQHWHAIXJTPI-SFHVURJKSA-N 1 1 354.429 4.548 40 0 FJABMO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1C ZINC000019557947 570893171 /nfs/dbraw/zinc/89/31/71/570893171.db2.gz DOHQHWHAIXJTPI-SFHVURJKSA-N 1 1 354.429 4.548 40 0 FJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)C1 ZINC000020106182 570909867 /nfs/dbraw/zinc/90/98/67/570909867.db2.gz QKVUZXWSMOOBHG-CQSZACIVSA-N 1 1 360.860 4.963 40 0 FJABMO CCc1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039755302 571025090 /nfs/dbraw/zinc/02/50/90/571025090.db2.gz VTHHOUISBSTBFN-UHFFFAOYSA-N 1 1 374.887 4.892 40 0 FJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1ccc(Cl)cc1Cl ZINC000225377358 571032034 /nfs/dbraw/zinc/03/20/34/571032034.db2.gz FBWBKLAUCWCIKY-QGZVFWFLSA-N 1 1 371.352 4.697 40 0 FJABMO c1csc(-c2ccc3c([C@H]4CCCN4Cc4ccccn4)[nH+]cn3c2)c1 ZINC000306134942 571039270 /nfs/dbraw/zinc/03/92/70/571039270.db2.gz OCBYYNYVKMUIAC-GOSISDBHSA-N 1 1 360.486 4.795 40 0 FJABMO c1csc(-c2ccc3c([C@H]4CCC[N@H+]4Cc4ccccn4)ncn3c2)c1 ZINC000306134942 571039274 /nfs/dbraw/zinc/03/92/74/571039274.db2.gz OCBYYNYVKMUIAC-GOSISDBHSA-N 1 1 360.486 4.795 40 0 FJABMO c1csc(-c2ccc3c([C@H]4CCC[N@@H+]4Cc4ccccn4)ncn3c2)c1 ZINC000306134942 571039277 /nfs/dbraw/zinc/03/92/77/571039277.db2.gz OCBYYNYVKMUIAC-GOSISDBHSA-N 1 1 360.486 4.795 40 0 FJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(C)c(Cl)c1 ZINC000225581537 571046988 /nfs/dbraw/zinc/04/69/88/571046988.db2.gz IPEBYHSGADTIFA-MRXNPFEDSA-N 1 1 353.963 4.589 40 0 FJABMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 ZINC000225597343 571048236 /nfs/dbraw/zinc/04/82/36/571048236.db2.gz DDCMYQBBIRAXAD-GOSISDBHSA-N 1 1 358.526 4.706 40 0 FJABMO Fc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000034086982 571085682 /nfs/dbraw/zinc/08/56/82/571085682.db2.gz HSBAYIHQSCXMDL-ZCYQVOJMSA-N 1 1 374.503 4.974 40 0 FJABMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833133 571086716 /nfs/dbraw/zinc/08/67/16/571086716.db2.gz SWFXAWZOPBULHB-CQSZACIVSA-N 1 1 363.288 4.844 40 0 FJABMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833133 571086718 /nfs/dbraw/zinc/08/67/18/571086718.db2.gz SWFXAWZOPBULHB-CQSZACIVSA-N 1 1 363.288 4.844 40 0 FJABMO O=C(NC1CCCCC1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832551 571086771 /nfs/dbraw/zinc/08/67/71/571086771.db2.gz ZJLLMWJQQGGXLL-AWEZNQCLSA-N 1 1 369.336 4.654 40 0 FJABMO O=C(NC1CCCCC1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832551 571086774 /nfs/dbraw/zinc/08/67/74/571086774.db2.gz ZJLLMWJQQGGXLL-AWEZNQCLSA-N 1 1 369.336 4.654 40 0 FJABMO O=C(Nc1ccccc1Cl)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038833756 571087201 /nfs/dbraw/zinc/08/72/01/571087201.db2.gz RYVXOAAXHSHOBG-OAHLLOKOSA-N 1 1 363.288 4.844 40 0 FJABMO O=C(Nc1cccc(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038833813 571087267 /nfs/dbraw/zinc/08/72/67/571087267.db2.gz TVJITKREZZKUPD-HNNXBMFYSA-N 1 1 363.288 4.844 40 0 FJABMO CC(C)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038856713 571088323 /nfs/dbraw/zinc/08/83/23/571088323.db2.gz AUXPFVHMGFJFPV-GOSISDBHSA-N 1 1 354.469 4.800 40 0 FJABMO COc1ccc(Cc2ccc([C@H]3CCCC[N@@H+]3Cc3ccccn3)cn2)cc1 ZINC000257204153 571149351 /nfs/dbraw/zinc/14/93/51/571149351.db2.gz ATFSSQYPAGCKIX-XMMPIXPASA-N 1 1 373.500 4.803 40 0 FJABMO COc1ccc(Cc2ccc([C@H]3CCCC[N@H+]3Cc3ccccn3)cn2)cc1 ZINC000257204153 571149354 /nfs/dbraw/zinc/14/93/54/571149354.db2.gz ATFSSQYPAGCKIX-XMMPIXPASA-N 1 1 373.500 4.803 40 0 FJABMO Cc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348812 571180267 /nfs/dbraw/zinc/18/02/67/571180267.db2.gz DAAOXGYLNRULDR-JOCHJYFZSA-N 1 1 357.501 4.755 40 0 FJABMO COc1ccccc1-c1cccc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072348841 571180278 /nfs/dbraw/zinc/18/02/78/571180278.db2.gz JEIQMVQNDZMLRO-IBGZPJMESA-N 1 1 359.473 4.532 40 0 FJABMO COc1ccccc1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072348804 571180329 /nfs/dbraw/zinc/18/03/29/571180329.db2.gz FSJUCEQLSRQFHG-LJQANCHMSA-N 1 1 359.473 4.532 40 0 FJABMO COc1ccc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348932 571180506 /nfs/dbraw/zinc/18/05/06/571180506.db2.gz KKVSWUGRTVSHIQ-IBGZPJMESA-N 1 1 359.473 4.532 40 0 FJABMO Fc1ccc(Cc2cccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072348857 571180509 /nfs/dbraw/zinc/18/05/09/571180509.db2.gz RAOADBSCKCUAAH-FQEVSTJZSA-N 1 1 361.464 4.586 40 0 FJABMO Fc1ccc(Cc2cccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000072348856 571180615 /nfs/dbraw/zinc/18/06/15/571180615.db2.gz RAOADBSCKCUAAH-HXUWFJFHSA-N 1 1 361.464 4.586 40 0 FJABMO Cn1cc(C[N@H+]2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)cn1 ZINC000072349964 571181494 /nfs/dbraw/zinc/18/14/94/571181494.db2.gz KKEQGYHYBCVIFP-SFHVURJKSA-N 1 1 366.896 4.515 40 0 FJABMO CCn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(Cc3cccc(C)c3)n2)C1 ZINC000072350287 571181799 /nfs/dbraw/zinc/18/17/99/571181799.db2.gz RJSSNBORIIWTLC-NRFANRHFSA-N 1 1 374.532 4.577 40 0 FJABMO CCn1ccnc1C[N@H+]1CCC[C@H](c2cccc(Cc3cccc(C)c3)n2)C1 ZINC000072350287 571181802 /nfs/dbraw/zinc/18/18/02/571181802.db2.gz RJSSNBORIIWTLC-NRFANRHFSA-N 1 1 374.532 4.577 40 0 FJABMO Fc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000072358514 571183605 /nfs/dbraw/zinc/18/36/05/571183605.db2.gz WGKFGWPNSKUWLL-HXUWFJFHSA-N 1 1 361.464 4.705 40 0 FJABMO Clc1cccc(-c2cncc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072359399 571183846 /nfs/dbraw/zinc/18/38/46/571183846.db2.gz KKHADVPISYHYTB-SFHVURJKSA-N 1 1 364.880 4.572 40 0 FJABMO Cc1cc(Nc2ccccn2)cc([C@H]2CCCN2C(=O)CC2CCCC2)[nH+]1 ZINC000072372555 571185315 /nfs/dbraw/zinc/18/53/15/571185315.db2.gz RDHIOVSYISYHFB-HXUWFJFHSA-N 1 1 364.493 4.772 40 0 FJABMO c1csc(Nc2cccc([C@@H]3CCC[N@@H+]3CCc3ccccc3)n2)n1 ZINC000072375142 571185782 /nfs/dbraw/zinc/18/57/82/571185782.db2.gz QPMGTRIEMHGROA-SFHVURJKSA-N 1 1 350.491 4.661 40 0 FJABMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cncc(Nc3ncccc3C)n2)cc1C ZINC000072376437 571186045 /nfs/dbraw/zinc/18/60/45/571186045.db2.gz GMRXBCYYNSDXSO-OAQYLSRUSA-N 1 1 373.504 4.878 40 0 FJABMO CCc1nccn1-c1cccc([C@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000072379108 571187786 /nfs/dbraw/zinc/18/77/86/571187786.db2.gz UTWNBOXFMCFVIA-OAQYLSRUSA-N 1 1 360.505 4.599 40 0 FJABMO Cc1ccc(CN2C(=O)CC[C@]23CCC[N@@H+](CC2CCCCC2)CC3)cc1 ZINC000585100183 571221244 /nfs/dbraw/zinc/22/12/44/571221244.db2.gz HHJRNKLPNPAJOT-DEOSSOPVSA-N 1 1 368.565 4.922 40 0 FJABMO Cc1ccc(CN2C(=O)CC[C@@]23CCC[N@@H+](CC2CCCCC2)CC3)cc1 ZINC000585100184 571221307 /nfs/dbraw/zinc/22/13/07/571221307.db2.gz HHJRNKLPNPAJOT-XMMPIXPASA-N 1 1 368.565 4.922 40 0 FJABMO O=C1CC[C@@]2(CCC[N@H+](Cc3cccc(F)c3)CC2)N1CC1CCCCC1 ZINC000585100750 571221940 /nfs/dbraw/zinc/22/19/40/571221940.db2.gz VKVQCNFEORKMQL-HSZRJFAPSA-N 1 1 372.528 4.753 40 0 FJABMO O=C1CC[C@]2(CCC[N@@H+](CC3CCCCC3)CC2)N1Cc1ccccc1 ZINC000585100867 571222331 /nfs/dbraw/zinc/22/23/31/571222331.db2.gz ZRKPUUVINLJEGZ-QHCPKHFHSA-N 1 1 354.538 4.614 40 0 FJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)C1 ZINC000252186451 571291444 /nfs/dbraw/zinc/29/14/44/571291444.db2.gz QXEUMZNBRMQWHN-JPYJTQIMSA-N 1 1 362.517 4.726 40 0 FJABMO Cc1cc([C@H]2CCCCC[N@@H+]2C[C@H](C)Cc2ccc3c(c2)OCO3)on1 ZINC000019120198 571303807 /nfs/dbraw/zinc/30/38/07/571303807.db2.gz OSKRHTGOPLSZQM-CRAIPNDOSA-N 1 1 356.466 4.508 40 0 FJABMO CN(C)c1ccc(-c2[nH+]c3ccccn3c2NCc2ccc(F)cc2)cc1 ZINC000004848425 219613276 /nfs/dbraw/zinc/61/32/76/219613276.db2.gz UKLFSIRADZMNPB-UHFFFAOYSA-N 1 1 360.436 4.819 40 0 FJABMO Cc1nc(Nc2cc(C)nc([C@H]3CCC[N@@H+](CC4CC4)C3)c2)sc1C ZINC000257215471 223024397 /nfs/dbraw/zinc/02/43/97/223024397.db2.gz CQGIOKKGDFFRJC-KRWDZBQOSA-N 1 1 356.539 4.796 40 0 FJABMO Cc1cccc(Nc2ccc([C@@H]3CCCC[N@@H+]3Cc3ccccn3)cn2)n1 ZINC000257341469 223072215 /nfs/dbraw/zinc/07/22/15/223072215.db2.gz ZKMJZKLVGVYMGU-FQEVSTJZSA-N 1 1 359.477 4.651 40 0 FJABMO Cc1cccc(Nc2ccc([C@@H]3CCCC[N@H+]3Cc3ccccn3)cn2)n1 ZINC000257341469 223072216 /nfs/dbraw/zinc/07/22/16/223072216.db2.gz ZKMJZKLVGVYMGU-FQEVSTJZSA-N 1 1 359.477 4.651 40 0 FJABMO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@@H+](CC4CCCCC4)C3)nc2c1 ZINC000049169085 209334743 /nfs/dbraw/zinc/33/47/43/209334743.db2.gz ODKXVNZMYZIRNB-AWEZNQCLSA-N 1 1 351.416 4.951 40 0 biogenic,in-vitro FJABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@H+](CC4CCCCC4)C3)[nH]c2c1 ZINC000049169085 209334746 /nfs/dbraw/zinc/33/47/46/209334746.db2.gz ODKXVNZMYZIRNB-AWEZNQCLSA-N 1 1 351.416 4.951 40 0 biogenic,in-vitro FJABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@@H+](CC4CCCCC4)C3)[nH]c2c1 ZINC000049169085 209334747 /nfs/dbraw/zinc/33/47/47/209334747.db2.gz ODKXVNZMYZIRNB-AWEZNQCLSA-N 1 1 351.416 4.951 40 0 biogenic,in-vitro FJABMO CC(C)[NH+]1CCC2(CC1)C[C@H](NCc1cccs1)c1ccccc1O2 ZINC000096242711 209143554 /nfs/dbraw/zinc/14/35/54/209143554.db2.gz MNJANUORIVAWED-IBGZPJMESA-N 1 1 356.535 4.605 40 0 FJABMO Clc1ccccc1CN1CCC[C@@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC000096214649 209136804 /nfs/dbraw/zinc/13/68/04/209136804.db2.gz KDUUEEJSPMAZLZ-JOCHJYFZSA-N 1 1 354.925 4.971 40 0 FJABMO Clc1ccccc1C[N@@H+]1CCC[C@@]12CCCN(Cc1ccccc1)C2 ZINC000096214649 209136807 /nfs/dbraw/zinc/13/68/07/209136807.db2.gz KDUUEEJSPMAZLZ-JOCHJYFZSA-N 1 1 354.925 4.971 40 0 FJABMO Clc1ccccc1C[N@H+]1CCC[C@@]12CCCN(Cc1ccccc1)C2 ZINC000096214649 209136809 /nfs/dbraw/zinc/13/68/09/209136809.db2.gz KDUUEEJSPMAZLZ-JOCHJYFZSA-N 1 1 354.925 4.971 40 0 FJABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2cccc(C)c2)cc1OC ZINC000013989905 220100422 /nfs/dbraw/zinc/10/04/22/220100422.db2.gz NRVPCSYYHOACAQ-UHFFFAOYSA-N 1 1 362.473 4.610 40 0 FJABMO Cc1cc([C@H]2CCCCC[N@@H+]2C[C@@H](C)Cc2ccc3c(c2)OCO3)no1 ZINC000019119371 220235811 /nfs/dbraw/zinc/23/58/11/220235811.db2.gz QKSRVUXJRJEXMU-HNAYVOBHSA-N 1 1 356.466 4.508 40 0 FJABMO Cc1csc([C@@H](Cc2cccs2)[NH2+]Cc2ccc(F)c(F)c2)n1 ZINC000019240080 220242444 /nfs/dbraw/zinc/24/24/44/220242444.db2.gz WXJFIKYJKKVGMM-MRXNPFEDSA-N 1 1 350.459 4.865 40 0 FJABMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cccc2ncccc12 ZINC000019237576 220243316 /nfs/dbraw/zinc/24/33/16/220243316.db2.gz WIKURSNHYJEFNJ-UHFFFAOYSA-N 1 1 370.500 4.978 40 0 FJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3cccn3C)no2)cc1 ZINC000019291133 220246056 /nfs/dbraw/zinc/24/60/56/220246056.db2.gz JDDPRPPZEQVYHX-NRFANRHFSA-N 1 1 365.477 4.806 40 0 FJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3cccn3C)no2)cc1 ZINC000019291133 220246061 /nfs/dbraw/zinc/24/60/61/220246061.db2.gz JDDPRPPZEQVYHX-NRFANRHFSA-N 1 1 365.477 4.806 40 0 FJABMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccccc1OCc1cccnc1 ZINC000019498371 220263248 /nfs/dbraw/zinc/26/32/48/220263248.db2.gz XEOWFFRWHQLOPF-INIZCTEOSA-N 1 1 350.487 4.841 40 0 FJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3cccnc3)on2)cc1 ZINC000019558086 220271429 /nfs/dbraw/zinc/27/14/29/220271429.db2.gz DZDZBOVYVICGQV-OAQYLSRUSA-N 1 1 363.461 4.863 40 0 FJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000038754226 208206460 /nfs/dbraw/zinc/20/64/60/208206460.db2.gz RZYSUHKUVRDBQE-UHFFFAOYSA-N 1 1 367.452 4.778 40 0 FJABMO O=C([C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)N1CCCCCC1 ZINC000038835757 208207254 /nfs/dbraw/zinc/20/72/54/208207254.db2.gz CODTZFPFBJMNDI-HNNXBMFYSA-N 1 1 369.336 4.608 40 0 FJABMO CCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038858889 208208832 /nfs/dbraw/zinc/20/88/32/208208832.db2.gz JQPJFWBHGTYNIN-CQSZACIVSA-N 1 1 357.325 4.512 40 0 FJABMO CCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038858889 208208836 /nfs/dbraw/zinc/20/88/36/208208836.db2.gz JQPJFWBHGTYNIN-CQSZACIVSA-N 1 1 357.325 4.512 40 0 FJABMO O=C(Nc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038833814 208205817 /nfs/dbraw/zinc/20/58/17/208205817.db2.gz TVJITKREZZKUPD-OAHLLOKOSA-N 1 1 363.288 4.844 40 0 FJABMO COc1ccc(Cl)cc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020481278 220329287 /nfs/dbraw/zinc/32/92/87/220329287.db2.gz VBYMMIUNBAHRQX-HNNXBMFYSA-N 1 1 372.896 4.833 40 0 FJABMO Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC000035292363 220776555 /nfs/dbraw/zinc/77/65/55/220776555.db2.gz ASINGMBUBPAYSM-JLYLLQBASA-N 1 1 357.567 4.610 40 0 FJABMO Fc1ccc(CN2C[C@H]3C[C@H](c4ccc(Cl)cc4)[N@H+]4CCC[C@@]34C2)cc1 ZINC000057731823 221092774 /nfs/dbraw/zinc/09/27/74/221092774.db2.gz SVFQQPZSZOXLGQ-STZQEDGTSA-N 1 1 370.899 4.891 40 0 FJABMO Fc1ccc(C[N@@H+]2C[C@H]3C[C@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 ZINC000057731823 221092775 /nfs/dbraw/zinc/09/27/75/221092775.db2.gz SVFQQPZSZOXLGQ-STZQEDGTSA-N 1 1 370.899 4.891 40 0 FJABMO Fc1ccc(C[N@H+]2C[C@H]3C[C@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 ZINC000057731823 221092778 /nfs/dbraw/zinc/09/27/78/221092778.db2.gz SVFQQPZSZOXLGQ-STZQEDGTSA-N 1 1 370.899 4.891 40 0 FJABMO Cc1ccccc1C(=O)Nc1cc([N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)cc1N ZINC000216866429 132271570 /nfs/dbraw/zinc/27/15/70/132271570.db2.gz WUQMNXDSSCVRBA-GASCZTMLSA-N 1 1 351.494 4.620 40 0 FJABMO Cc1ccccc1C(=O)Nc1cc([N@H+]2C[C@H](C)C[C@H](C)C2)c(C)cc1N ZINC000216866429 132271571 /nfs/dbraw/zinc/27/15/71/132271571.db2.gz WUQMNXDSSCVRBA-GASCZTMLSA-N 1 1 351.494 4.620 40 0 FJABMO c1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc(-c5ccccc5)cc4)C[C@@H]3C2)cc1 ZINC000096245625 222099602 /nfs/dbraw/zinc/09/96/02/222099602.db2.gz NRDJASDCGQPBAS-WMPKNSHKSA-N 1 1 368.524 4.917 40 0 FJABMO c1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc(-c5ccccc5)cc4)C[C@@H]3C2)cc1 ZINC000096245625 222099603 /nfs/dbraw/zinc/09/96/03/222099603.db2.gz NRDJASDCGQPBAS-WMPKNSHKSA-N 1 1 368.524 4.917 40 0 FJABMO c1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccc(-c5ccccc5)cc4)C[C@H]3C2)cc1 ZINC000096245625 222099606 /nfs/dbraw/zinc/09/96/06/222099606.db2.gz NRDJASDCGQPBAS-WMPKNSHKSA-N 1 1 368.524 4.917 40 0 FJABMO c1ccc(C[N@H+]2C[C@H]3CN(Cc4ccc(-c5ccccc5)cc4)C[C@H]3C2)cc1 ZINC000096245625 222099609 /nfs/dbraw/zinc/09/96/09/222099609.db2.gz NRDJASDCGQPBAS-WMPKNSHKSA-N 1 1 368.524 4.917 40 0 FJABMO COc1ccc(Cc2ccc([C@@H]3CCCC[N@H+]3Cc3ccncc3)cn2)cc1 ZINC000257264888 533809176 /nfs/dbraw/zinc/80/91/76/533809176.db2.gz LWKBGBIOLKYXEO-DEOSSOPVSA-N 1 1 373.500 4.803 40 0 FJABMO c1ccc(O[C@H]2COCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000077265826 560046381 /nfs/dbraw/zinc/04/63/81/560046381.db2.gz WLUVZVKEQIMZIY-XMMPIXPASA-N 1 1 359.469 4.633 40 0 biogenic,in-vitro FJABMO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000585260834 570480454 /nfs/dbraw/zinc/48/04/54/570480454.db2.gz KUQMHAPVVFSMBA-FQEVSTJZSA-N 1 1 373.460 4.567 40 0 FJABMO C[N@H+]1CCCCCC[C@@H]1COC(=O)C(c1ccccc1)c1ccccc1 ZINC000001746973 570506254 /nfs/dbraw/zinc/50/62/54/570506254.db2.gz JFCAIPHAGUDUPW-OAQYLSRUSA-N 1 1 351.490 4.626 40 0 FJABMO CC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215459 570531478 /nfs/dbraw/zinc/53/14/78/570531478.db2.gz SCTBZBKHFKTOHC-SFHVURJKSA-N 1 1 359.514 4.923 40 0 FJABMO CC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215554 570532025 /nfs/dbraw/zinc/53/20/25/570532025.db2.gz AFVWEOWOMMLZSH-SFHVURJKSA-N 1 1 359.514 4.923 40 0 FJABMO C[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215847 570532988 /nfs/dbraw/zinc/53/29/88/570532988.db2.gz PQJPSDYAWCJUQY-SFHVURJKSA-N 1 1 353.466 4.922 40 0 FJABMO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044933364 570538994 /nfs/dbraw/zinc/53/89/94/570538994.db2.gz SDFFYIOXHPJVSZ-PXNSSMCTSA-N 1 1 370.924 4.738 40 0 FJABMO Cc1ccccc1-c1noc([C@H]2CC[N@@H+](Cc3cccc4cccnc43)C2)n1 ZINC000072369944 570546521 /nfs/dbraw/zinc/54/65/21/570546521.db2.gz GZONVEQPKWAKBS-IBGZPJMESA-N 1 1 370.456 4.583 40 0 FJABMO O=C(c1cccc2ccccc21)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408609864 570582214 /nfs/dbraw/zinc/58/22/14/570582214.db2.gz PFEMAEAEHPLAJH-JOCHJYFZSA-N 1 1 370.496 4.503 40 0 FJABMO COc1cc2c3c(c1OC)-c1[nH]c4ccccc4c1[C@@H]1CCC[N@@H+](CC2)[C@@H]31 ZINC000005554556 570630727 /nfs/dbraw/zinc/63/07/27/570630727.db2.gz JSWHPWDJHXROFD-OYHNWAKOSA-N 1 1 360.457 4.642 40 0 FJABMO Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2C)C3)cc1 ZINC000035290321 570636119 /nfs/dbraw/zinc/63/61/19/570636119.db2.gz UJWHDFJSWJBSFF-FRIKZZABSA-N 1 1 362.517 4.619 40 0 FJABMO CC(C)C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1cccc(Cl)c1)C2 ZINC000004886527 570672645 /nfs/dbraw/zinc/67/26/45/570672645.db2.gz KUJRHWASKJBAED-AYHJJNSGSA-N 1 1 365.974 4.668 40 0 FJABMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000012241128 570730867 /nfs/dbraw/zinc/73/08/67/570730867.db2.gz PLMCTBRIZVVAKB-MRXNPFEDSA-N 1 1 350.487 4.841 40 0 FJABMO Cc1cc2nc([C@@H]3CCC[N@H+](C4CCCCC4)C3)cc(C(F)(F)F)n2n1 ZINC000013226823 570775588 /nfs/dbraw/zinc/77/55/88/570775588.db2.gz XVASHKJSVAUYCK-CQSZACIVSA-N 1 1 366.431 4.569 40 0 FJABMO Cc1cc2cc(C[NH2+]Cc3ccc4c(c3)OCO4)c(Cl)nc2cc1C ZINC000013535370 570832759 /nfs/dbraw/zinc/83/27/59/570832759.db2.gz STHBYFYTPUBFSD-UHFFFAOYSA-N 1 1 354.837 4.524 40 0 FJABMO COc1c(C)cccc1C[NH2+][C@@H](Cc1ccsc1)c1ccc(C)cn1 ZINC000019215555 570881907 /nfs/dbraw/zinc/88/19/07/570881907.db2.gz HMVSJKDKOKMCEK-FQEVSTJZSA-N 1 1 352.503 4.842 40 0 FJABMO COc1ccc(OC)c(C[NH2+][C@H](Cc2cccs2)c2nc(C)cs2)c1 ZINC000019240071 570884223 /nfs/dbraw/zinc/88/42/23/570884223.db2.gz RKZBPQJQJLIQFN-QGZVFWFLSA-N 1 1 374.531 4.604 40 0 FJABMO Cc1nn(C)cc1C[N@H+]1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)no1 ZINC000019583838 570895218 /nfs/dbraw/zinc/89/52/18/570895218.db2.gz KNHJGEQYBMRCAQ-FQEVSTJZSA-N 1 1 368.456 4.640 40 0 FJABMO CCc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000224922259 571005867 /nfs/dbraw/zinc/00/58/67/571005867.db2.gz AIDUKOIYYZHCTM-RTBURBONSA-N 1 1 364.533 4.972 40 0 FJABMO CCc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000224922312 571005996 /nfs/dbraw/zinc/00/59/96/571005996.db2.gz AIDUKOIYYZHCTM-MOPGFXCFSA-N 1 1 364.533 4.972 40 0 FJABMO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220440 571028039 /nfs/dbraw/zinc/02/80/39/571028039.db2.gz OMQNMTDKAPLOMB-IBGZPJMESA-N 1 1 360.929 4.559 40 0 FJABMO c1csc(-c2ccc3c([C@H]4CCCN4Cc4cccnc4)[nH+]cn3c2)c1 ZINC000306134295 571038919 /nfs/dbraw/zinc/03/89/19/571038919.db2.gz NIBDXMCEOWGMLY-GOSISDBHSA-N 1 1 360.486 4.795 40 0 FJABMO c1csc(-c2ccc3c([C@H]4CCC[N@H+]4Cc4cccnc4)ncn3c2)c1 ZINC000306134295 571038921 /nfs/dbraw/zinc/03/89/21/571038921.db2.gz NIBDXMCEOWGMLY-GOSISDBHSA-N 1 1 360.486 4.795 40 0 FJABMO c1csc(-c2ccc3c([C@H]4CCC[N@@H+]4Cc4cccnc4)ncn3c2)c1 ZINC000306134295 571038923 /nfs/dbraw/zinc/03/89/23/571038923.db2.gz NIBDXMCEOWGMLY-GOSISDBHSA-N 1 1 360.486 4.795 40 0 FJABMO O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038833866 571087324 /nfs/dbraw/zinc/08/73/24/571087324.db2.gz UWJVHQICGBVXMO-HNNXBMFYSA-N 1 1 363.288 4.844 40 0 FJABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCCCCC1 ZINC000038835749 571087558 /nfs/dbraw/zinc/08/75/58/571087558.db2.gz KBNNEAXJUSVFJU-MRXNPFEDSA-N 1 1 369.336 4.608 40 0 FJABMO O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038852387 571088109 /nfs/dbraw/zinc/08/81/09/571088109.db2.gz RJWKTRWFUQLKJA-LJQANCHMSA-N 1 1 360.929 4.559 40 0 FJABMO Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044905815 571104363 /nfs/dbraw/zinc/10/43/63/571104363.db2.gz XZCUHMYUXOJJOH-UYAOXDASSA-N 1 1 368.496 4.532 40 0 FJABMO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044933360 571104953 /nfs/dbraw/zinc/10/49/53/571104953.db2.gz SDFFYIOXHPJVSZ-FXAWDEMLSA-N 1 1 370.924 4.738 40 0 FJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 ZINC000044937003 571105386 /nfs/dbraw/zinc/10/53/86/571105386.db2.gz SQRSQNPRJHIWRX-JOCHJYFZSA-N 1 1 361.489 4.757 40 0 FJABMO c1csc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000013562958 571108317 /nfs/dbraw/zinc/10/83/17/571108317.db2.gz UXYJZCLJPYUZCM-DHIUTWEWSA-N 1 1 362.542 4.896 40 0 FJABMO c1csc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000013562958 571108319 /nfs/dbraw/zinc/10/83/19/571108319.db2.gz UXYJZCLJPYUZCM-DHIUTWEWSA-N 1 1 362.542 4.896 40 0 FJABMO c1csc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000013562958 571108321 /nfs/dbraw/zinc/10/83/21/571108321.db2.gz UXYJZCLJPYUZCM-DHIUTWEWSA-N 1 1 362.542 4.896 40 0 FJABMO COc1ccc(Cc2ccc([C@@H]3CCCC[N@@H+]3Cc3ccccn3)cn2)cc1 ZINC000257204152 571149373 /nfs/dbraw/zinc/14/93/73/571149373.db2.gz ATFSSQYPAGCKIX-DEOSSOPVSA-N 1 1 373.500 4.803 40 0 FJABMO COc1ccc(Cc2ccc([C@@H]3CCCC[N@H+]3Cc3ccccn3)cn2)cc1 ZINC000257204152 571149375 /nfs/dbraw/zinc/14/93/75/571149375.db2.gz ATFSSQYPAGCKIX-DEOSSOPVSA-N 1 1 373.500 4.803 40 0 FJABMO Cc1cccnc1Nc1ccc([C@@H]2CCCC[N@@H+]2Cc2cccnc2)cn1 ZINC000257222960 571151861 /nfs/dbraw/zinc/15/18/61/571151861.db2.gz DVHMKQGTRVLBBN-FQEVSTJZSA-N 1 1 359.477 4.651 40 0 FJABMO Cc1cccnc1Nc1ccc([C@@H]2CCCC[N@H+]2Cc2cccnc2)cn1 ZINC000257222960 571151863 /nfs/dbraw/zinc/15/18/63/571151863.db2.gz DVHMKQGTRVLBBN-FQEVSTJZSA-N 1 1 359.477 4.651 40 0 FJABMO OCc1ccc(-c2cccc([C@@H]3CCC[N@H+](C4CCCCC4)C3)n2)cc1 ZINC000072348537 571179969 /nfs/dbraw/zinc/17/99/69/571179969.db2.gz SDKVGFRRCZJEQO-HXUWFJFHSA-N 1 1 350.506 4.753 40 0 FJABMO Cc1cccc(Cc2cccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348851 571180254 /nfs/dbraw/zinc/18/02/54/571180254.db2.gz BOJHKYAKSKMSBT-QFIPXVFZSA-N 1 1 357.501 4.755 40 0 FJABMO Fc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072348815 571180293 /nfs/dbraw/zinc/18/02/93/571180293.db2.gz JUZXULJNRYNZIV-HXUWFJFHSA-N 1 1 361.464 4.586 40 0 FJABMO Fc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348859 571180582 /nfs/dbraw/zinc/18/05/82/571180582.db2.gz KFGVDMXOURLCTK-HXUWFJFHSA-N 1 1 361.464 4.586 40 0 FJABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cccc(-c4cccc(Cl)c4)n3)C2)cn1 ZINC000072349965 571181340 /nfs/dbraw/zinc/18/13/40/571181340.db2.gz KKEQGYHYBCVIFP-GOSISDBHSA-N 1 1 366.896 4.515 40 0 FJABMO Clc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000072358582 571183578 /nfs/dbraw/zinc/18/35/78/571183578.db2.gz JTBQRKKTDAUNPS-SFHVURJKSA-N 1 1 364.880 4.572 40 0 FJABMO Cc1cnc(Nc2cc([C@H]3CCC[N@H+]3Cc3ccccc3)nc(C)n2)s1 ZINC000072359927 571184130 /nfs/dbraw/zinc/18/41/30/571184130.db2.gz DTWPXMSYYIBMRD-GOSISDBHSA-N 1 1 365.506 4.631 40 0 FJABMO Cc1ccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccnc5ccccc45)C3)n2)cc1 ZINC000072369989 571184972 /nfs/dbraw/zinc/18/49/72/571184972.db2.gz JJIILQKHALFITJ-LJQANCHMSA-N 1 1 370.456 4.583 40 0 FJABMO Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000072370042 571185118 /nfs/dbraw/zinc/18/51/18/571185118.db2.gz LPBUZELZPOMTRU-JOCHJYFZSA-N 1 1 364.468 4.657 40 0 FJABMO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000072379074 571187276 /nfs/dbraw/zinc/18/72/76/571187276.db2.gz AZHMFIVJABZGPM-HXUWFJFHSA-N 1 1 364.468 4.867 40 0 FJABMO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(-c3ccsc3)o2)cc1 ZINC000072390148 571189648 /nfs/dbraw/zinc/18/96/48/571189648.db2.gz ICGMREFNADJDRV-KRWDZBQOSA-N 1 1 355.463 4.534 40 0 FJABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2nnc(-c3ccsc3)o2)cc1 ZINC000072390148 571189649 /nfs/dbraw/zinc/18/96/49/571189649.db2.gz ICGMREFNADJDRV-KRWDZBQOSA-N 1 1 355.463 4.534 40 0 FJABMO CCC[N@H+]1CC[C@]2(c3ccccc3)CCc3ncc(-c4ccccc4)n3C[C@@H]12 ZINC000306129144 571213610 /nfs/dbraw/zinc/21/36/10/571213610.db2.gz HVRMBGCKDGCSBG-NOZRDPDXSA-N 1 1 371.528 4.919 40 0 FJABMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038859318 571306224 /nfs/dbraw/zinc/30/62/24/571306224.db2.gz OSJKIIKWJRHKMU-HIFRSBDPSA-N 1 1 357.325 4.510 40 0 FJABMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038859318 571306225 /nfs/dbraw/zinc/30/62/25/571306225.db2.gz OSJKIIKWJRHKMU-HIFRSBDPSA-N 1 1 357.325 4.510 40 0 FJABMO c1csc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000230026084 571340453 /nfs/dbraw/zinc/34/04/53/571340453.db2.gz UXYJZCLJPYUZCM-PKTZIBPZSA-N 1 1 362.542 4.896 40 0 FJABMO c1csc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000230026084 571340454 /nfs/dbraw/zinc/34/04/54/571340454.db2.gz UXYJZCLJPYUZCM-PKTZIBPZSA-N 1 1 362.542 4.896 40 0 FJABMO c1csc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000230026084 571340455 /nfs/dbraw/zinc/34/04/55/571340455.db2.gz UXYJZCLJPYUZCM-PKTZIBPZSA-N 1 1 362.542 4.896 40 0 FJABMO C[N@H+]([C@@H](c1nnnn1C1CCCCC1)c1ccc(F)cc1)C1CCCCC1 ZINC000000883958 219336928 /nfs/dbraw/zinc/33/69/28/219336928.db2.gz SOKMNHUOJCZRKE-HXUWFJFHSA-N 1 1 371.504 4.671 40 0 FJABMO C[N@@H+]([C@@H](c1nnnn1C1CCCCC1)c1ccc(F)cc1)C1CCCCC1 ZINC000000883958 219336930 /nfs/dbraw/zinc/33/69/30/219336930.db2.gz SOKMNHUOJCZRKE-HXUWFJFHSA-N 1 1 371.504 4.671 40 0 FJABMO COc1ccc(-c2[nH+]c3cccc(C)n3c2NC2CCCCC2)cc1O ZINC000000881950 219335358 /nfs/dbraw/zinc/33/53/58/219335358.db2.gz KVRIKNPXUHVAIA-UHFFFAOYSA-N 1 1 351.450 4.769 40 0 FJABMO Fc1ccc(Cc2ccc([C@H]3CCCC[N@@H+]3Cc3ccccn3)cn2)cc1 ZINC000257207708 223019805 /nfs/dbraw/zinc/01/98/05/223019805.db2.gz BIWREUUMNWEEDD-HSZRJFAPSA-N 1 1 361.464 4.934 40 0 FJABMO Fc1ccc(Cc2ccc([C@H]3CCCC[N@H+]3Cc3ccccn3)cn2)cc1 ZINC000257207708 223019806 /nfs/dbraw/zinc/01/98/06/223019806.db2.gz BIWREUUMNWEEDD-HSZRJFAPSA-N 1 1 361.464 4.934 40 0 FJABMO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000257244043 223034576 /nfs/dbraw/zinc/03/45/76/223034576.db2.gz IJPOTLFUYYOACM-FQEVSTJZSA-N 1 1 373.460 4.567 40 0 FJABMO Cc1ccccc1-c1noc([C@@H]2CC[N@@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000257321954 223064680 /nfs/dbraw/zinc/06/46/80/223064680.db2.gz WEBHFOLIZHNEOU-GOSISDBHSA-N 1 1 370.456 4.583 40 0 FJABMO Cc1cccc(Nc2ccc([C@H]3CCCC[N@@H+]3Cc3ccccn3)cn2)n1 ZINC000257341470 223071725 /nfs/dbraw/zinc/07/17/25/223071725.db2.gz ZKMJZKLVGVYMGU-HXUWFJFHSA-N 1 1 359.477 4.651 40 0 FJABMO Cc1cccc(Nc2ccc([C@H]3CCCC[N@H+]3Cc3ccccn3)cn2)n1 ZINC000257341470 223071727 /nfs/dbraw/zinc/07/17/27/223071727.db2.gz ZKMJZKLVGVYMGU-HXUWFJFHSA-N 1 1 359.477 4.651 40 0 FJABMO COc1ccccc1OCC[N@@H+](C)Cc1c2cc(C)cnc2[nH]c1C(C)C ZINC000019124930 220237901 /nfs/dbraw/zinc/23/79/01/220237901.db2.gz JSHGRSKMLODIJJ-UHFFFAOYSA-N 1 1 367.493 4.514 40 0 FJABMO Cc1csc([C@H](Cc2ccsc2)[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)n1 ZINC000019240237 220242949 /nfs/dbraw/zinc/24/29/49/220242949.db2.gz CYHJYUDJHSLAKL-KSSFIOAISA-N 1 1 370.543 4.910 40 0 FJABMO Cc1csc([C@H](Cc2cccs2)[NH2+]Cc2ccc(F)c(F)c2)n1 ZINC000019240081 220242973 /nfs/dbraw/zinc/24/29/73/220242973.db2.gz WXJFIKYJKKVGMM-INIZCTEOSA-N 1 1 350.459 4.865 40 0 FJABMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1ccncc1C)CC2 ZINC000019239531 220243518 /nfs/dbraw/zinc/24/35/18/220243518.db2.gz JZBCRFNHIGSIIL-XMMPIXPASA-N 1 1 374.484 4.555 40 0 FJABMO COc1cccc(C[NH2+][C@@H](Cc2ccsc2)c2ncccc2C)c1OC ZINC000019237647 220243620 /nfs/dbraw/zinc/24/36/20/220243620.db2.gz YMZODYJPHJAWJW-SFHVURJKSA-N 1 1 368.502 4.542 40 0 FJABMO COC(=O)[C@H]1CCC[N@H+]1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005605964 207107344 /nfs/dbraw/zinc/10/73/44/207107344.db2.gz SMHHEOSHYIDWJX-HSZRJFAPSA-N 1 1 371.480 4.616 40 0 FJABMO Cc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000035289195 207114093 /nfs/dbraw/zinc/11/40/93/207114093.db2.gz WUCHSFKSBYUPMG-SEJPIABJSA-N 1 1 363.505 4.702 40 0 FJABMO CCOc1ccc(C(=O)CN(c2cccc(C)c2)C2=[NH+]CCCC2)cc1 ZINC000006870323 207173855 /nfs/dbraw/zinc/17/38/55/207173855.db2.gz HITCXLSRAALFLH-UHFFFAOYSA-N 1 1 350.462 4.665 40 0 FJABMO O=C(CN(c1ccccc1)C1=[NH+]CCCC1)c1ccc(Br)cc1 ZINC000008436110 207233580 /nfs/dbraw/zinc/23/35/80/207233580.db2.gz CZMFYKUCIVQXGO-UHFFFAOYSA-N 1 1 371.278 4.721 40 0 FJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccccn3)on2)cc1 ZINC000012088739 207337305 /nfs/dbraw/zinc/33/73/05/207337305.db2.gz FWXMGJMKVHEDCI-OAQYLSRUSA-N 1 1 363.461 4.863 40 0 FJABMO Fc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3cccnc3)no2)cc1 ZINC000012143941 207341820 /nfs/dbraw/zinc/34/18/20/207341820.db2.gz BFRNSHOFAWFGSK-HXUWFJFHSA-N 1 1 351.425 4.993 40 0 FJABMO Fc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3cccnc3)no2)cc1 ZINC000012143941 207341822 /nfs/dbraw/zinc/34/18/22/207341822.db2.gz BFRNSHOFAWFGSK-HXUWFJFHSA-N 1 1 351.425 4.993 40 0 FJABMO Cc1cc(Cl)ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038849513 208209123 /nfs/dbraw/zinc/20/91/23/208209123.db2.gz XYKMIDWYWHQLQA-INIZCTEOSA-N 1 1 360.860 4.638 40 0 FJABMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1C ZINC000038835182 208205372 /nfs/dbraw/zinc/20/53/72/208205372.db2.gz WCXDSZABORURRW-GOSISDBHSA-N 1 1 356.897 4.808 40 0 FJABMO Cc1ncc(C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)s1 ZINC000019715798 220289987 /nfs/dbraw/zinc/28/99/87/220289987.db2.gz SSUFKWBBKPVXKR-INIZCTEOSA-N 1 1 354.523 4.762 40 0 FJABMO C1=C[C@H]2C[C@@H]1C[C@H]2CN1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000019790303 220295623 /nfs/dbraw/zinc/29/56/23/220295623.db2.gz ULGPPVIOBMVUAF-QZJVIJNSSA-N 1 1 350.550 4.543 40 0 FJABMO CC(C)c1cc(N2Cc3ccccc3C[C@H]2C)nc(NCc2ccccc2)[nH+]1 ZINC000328978356 132371994 /nfs/dbraw/zinc/37/19/94/132371994.db2.gz FXWPFXQYXWYCFU-GOSISDBHSA-N 1 1 372.516 4.585 40 0 FJABMO Cc1nc(NCc2ccccc2)cc(N2CCc3cc(Cl)ccc3C2)[nH+]1 ZINC000328973130 132372017 /nfs/dbraw/zinc/37/20/17/132372017.db2.gz DYZNEYLRKUUODR-UHFFFAOYSA-N 1 1 364.880 4.613 40 0 FJABMO CC(C)c1nc(NCc2ccccc2)cc(N2CCc3ccccc3C2)[nH+]1 ZINC000329067189 132373287 /nfs/dbraw/zinc/37/32/87/132373287.db2.gz YFRQDRDYMBDOAF-UHFFFAOYSA-N 1 1 358.489 4.775 40 0 FJABMO CC(C)C(=O)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096071047 222012786 /nfs/dbraw/zinc/01/27/86/222012786.db2.gz WPHMVSZTCBYAIT-DEOSSOPVSA-N 1 1 362.517 4.577 40 0 FJABMO O=C(Nc1ccccc1)[C@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000408734028 263493148 /nfs/dbraw/zinc/49/31/48/263493148.db2.gz DDHHXHGKGIABDK-HXUWFJFHSA-N 1 1 350.849 4.810 40 0 FJABMO CC(C)Oc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020460294 519780980 /nfs/dbraw/zinc/78/09/80/519780980.db2.gz VJBAIYKFOZFDOZ-GOSISDBHSA-N 1 1 366.505 4.958 40 0 FJABMO CC[C@H]1CN2CC[C@H]1C[C@@H]2C[NH+](Cc1cccs1)Cc1cccs1 ZINC000020462723 523322448 /nfs/dbraw/zinc/32/24/48/523322448.db2.gz MYOIPDGUFFUSBD-OKZBNKHCSA-N 1 1 360.592 4.932 40 0 biogenic,in-vitro FJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)C1 ZINC000020454218 524093187 /nfs/dbraw/zinc/09/31/87/524093187.db2.gz OOVIWOAMJYNTMF-INIZCTEOSA-N 1 1 356.897 4.502 40 0 FJABMO CC(C)COc1ccc(C(=O)OCC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000025809825 560091000 /nfs/dbraw/zinc/09/10/00/560091000.db2.gz TVPOHZDOAWMQLL-RXVVDRJESA-N 1 1 359.510 4.533 40 0 biogenic,in-vitro FJABMO O=c1c(C2CCCCC2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccs2)C1 ZINC000008296305 560208081 /nfs/dbraw/zinc/20/80/81/560208081.db2.gz KUOMUUIITQYKJB-FUHWJXTLSA-N 1 1 368.546 4.577 40 0 biogenic,in-vitro FJABMO O=C(NCC1CCCCC1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223416609 568652762 /nfs/dbraw/zinc/65/27/62/568652762.db2.gz OMMJCXREOXIBCY-UHFFFAOYSA-N 1 1 362.517 4.555 40 0 FJABMO Cc1noc(C)c1-c1cncc([C@@H]2CCC[N@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000585260824 570479940 /nfs/dbraw/zinc/47/99/40/570479940.db2.gz MWRWDDUGOYJGON-NRFANRHFSA-N 1 1 373.460 4.567 40 0 FJABMO CCOc1ccc2nc(Cl)c(C[NH2+]Cc3ccccc3OC)cc2c1 ZINC000013999006 570502842 /nfs/dbraw/zinc/50/28/42/570502842.db2.gz PAJOGMOYVUISLI-UHFFFAOYSA-N 1 1 356.853 4.585 40 0 FJABMO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(C)cc1 ZINC000044935707 570539087 /nfs/dbraw/zinc/53/90/87/570539087.db2.gz QPKWTDWYEPBHIU-RBBKRZOGSA-N 1 1 368.496 4.614 40 0 FJABMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(F)cc1 ZINC000044933997 570539246 /nfs/dbraw/zinc/53/92/46/570539246.db2.gz VMPBYCBCKDQCOV-YJBOKZPZSA-N 1 1 374.887 4.569 40 0 FJABMO OCc1ccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)cc1 ZINC000072348542 570546175 /nfs/dbraw/zinc/54/61/75/570546175.db2.gz WPLCXVSYRNPXHX-JOCHJYFZSA-N 1 1 358.485 4.621 40 0 FJABMO CCCCOc1ccc2[nH]c(C)c(C[N@@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000004422597 570590717 /nfs/dbraw/zinc/59/07/17/570590717.db2.gz HZNWJHUBKIPJHL-UHFFFAOYSA-N 1 1 356.510 4.780 40 0 FJABMO COc1ccc(-c2[nH+]c3ccccn3c2NCc2ccccc2)cc1OC ZINC000004848426 570669916 /nfs/dbraw/zinc/66/99/16/570669916.db2.gz ISIIUCPKWWJWAM-UHFFFAOYSA-N 1 1 359.429 4.631 40 0 FJABMO O=C(Nc1cccc(F)c1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000004883258 570672235 /nfs/dbraw/zinc/67/22/35/570672235.db2.gz VPDDYYRSEVJSKU-AYHJJNSGSA-N 1 1 373.497 4.594 40 0 FJABMO COc1ccc(C[NH+]2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000005625622 570679835 /nfs/dbraw/zinc/67/98/35/570679835.db2.gz IJRSEIDLNQDTRP-UHFFFAOYSA-N 1 1 355.869 4.605 40 0 FJABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000036092678 570693585 /nfs/dbraw/zinc/69/35/85/570693585.db2.gz RJQBZQVPLDKKEY-AVRDEDQJSA-N 1 1 350.506 4.800 40 0 FJABMO Cc1ccc2cc(CNc3ccc([N@@H+]4CCC[C@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000012088284 570717498 /nfs/dbraw/zinc/71/74/98/570717498.db2.gz JFDHRGYDLAWNRQ-KRWDZBQOSA-N 1 1 361.489 4.685 40 0 FJABMO Cc1ccc2cc(CNc3ccc([N@H+]4CCC[C@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000012088284 570717502 /nfs/dbraw/zinc/71/75/02/570717502.db2.gz JFDHRGYDLAWNRQ-KRWDZBQOSA-N 1 1 361.489 4.685 40 0 FJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccncc3)on2)cc1 ZINC000012120298 570720893 /nfs/dbraw/zinc/72/08/93/570720893.db2.gz DBRFBDGGQNCFGX-NRFANRHFSA-N 1 1 363.461 4.863 40 0 FJABMO COc1ccccc1/C=C/C[NH2+][C@@H](Cc1ccsc1)c1nccs1 ZINC000012330132 570737133 /nfs/dbraw/zinc/73/71/33/570737133.db2.gz MPNZBCHGDHFMNZ-YXMMZVCTSA-N 1 1 356.516 4.800 40 0 FJABMO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000044856340 570867933 /nfs/dbraw/zinc/86/79/33/570867933.db2.gz VGIYDNIGQNEADS-RXVVDRJESA-N 1 1 368.496 4.532 40 0 FJABMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000044934020 570867949 /nfs/dbraw/zinc/86/79/49/570867949.db2.gz HCANGIHHYOOZER-YJBOKZPZSA-N 1 1 374.887 4.569 40 0 FJABMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000044934023 570867967 /nfs/dbraw/zinc/86/79/67/570867967.db2.gz HCANGIHHYOOZER-QAPCUYQASA-N 1 1 374.887 4.569 40 0 FJABMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(F)cc1 ZINC000020046910 570879607 /nfs/dbraw/zinc/87/96/07/570879607.db2.gz VLLIYTVYPXHALX-IRXDYDNUSA-N 1 1 354.469 4.549 40 0 FJABMO Fc1ccc([C@@H]2COC[C@H]2[N@H+](Cc2ccncc2)CC2CCCCC2)cc1 ZINC000019336210 570886209 /nfs/dbraw/zinc/88/62/09/570886209.db2.gz HUJITOPTMOWIIP-XZOQPEGZSA-N 1 1 368.496 4.786 40 0 FJABMO COc1cccc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)c(C)s2)c1 ZINC000019559910 570893069 /nfs/dbraw/zinc/89/30/69/570893069.db2.gz WKCNQITWJZWMEK-GOSISDBHSA-N 1 1 358.532 4.904 40 0 FJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(C)c(Cl)c1 ZINC000225449640 571036065 /nfs/dbraw/zinc/03/60/65/571036065.db2.gz IPWLZUYNJOBRJW-UHFFFAOYSA-N 1 1 370.909 4.629 40 0 FJABMO c1cc(C[N@H+]2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)cs1 ZINC000306134600 571038948 /nfs/dbraw/zinc/03/89/48/571038948.db2.gz NTGPSMZHEIIJES-LJQANCHMSA-N 1 1 360.486 4.795 40 0 FJABMO Cc1cc(C)cc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225574626 571046761 /nfs/dbraw/zinc/04/67/61/571046761.db2.gz IQDXSYSLKICGIO-UHFFFAOYSA-N 1 1 374.887 4.947 40 0 FJABMO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030945381 571053137 /nfs/dbraw/zinc/05/31/37/571053137.db2.gz SSAYPDYFGVYSCS-OAHLLOKOSA-N 1 1 363.288 4.844 40 0 FJABMO C[N@H+]1CCc2ccccc2[C@H]1Cc1cc(OCc2ccccc2)ccc1N ZINC000031938933 571056566 /nfs/dbraw/zinc/05/65/66/571056566.db2.gz GWIOQTCSMPBYMC-XMMPIXPASA-N 1 1 358.485 4.620 40 0 FJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)C1 ZINC000038771601 571086553 /nfs/dbraw/zinc/08/65/53/571086553.db2.gz UCSMGGQRCOVYRA-TVGZPFHWSA-N 1 1 366.549 4.617 40 0 FJABMO O=C(NC1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832547 571086586 /nfs/dbraw/zinc/08/65/86/571086586.db2.gz XTICFKZJQJYKHG-HNNXBMFYSA-N 1 1 369.336 4.654 40 0 FJABMO O=C(NC1CCCCC1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832547 571086592 /nfs/dbraw/zinc/08/65/92/571086592.db2.gz XTICFKZJQJYKHG-HNNXBMFYSA-N 1 1 369.336 4.654 40 0 FJABMO Cc1cc(C)cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000038833522 571087058 /nfs/dbraw/zinc/08/70/58/571087058.db2.gz AYMHZBSIZJSNHI-GOSISDBHSA-N 1 1 356.897 4.808 40 0 FJABMO Cc1ccnc(-n2cccc2C[N@H+](Cc2ccccc2)Cc2ccncc2)c1 ZINC000057797070 571122569 /nfs/dbraw/zinc/12/25/69/571122569.db2.gz DNVYIJZDEAENBM-UHFFFAOYSA-N 1 1 368.484 4.778 40 0 FJABMO Cc1ccnc(-n2cccc2C[N@@H+](Cc2ccccc2)Cc2ccncc2)c1 ZINC000057797070 571122570 /nfs/dbraw/zinc/12/25/70/571122570.db2.gz DNVYIJZDEAENBM-UHFFFAOYSA-N 1 1 368.484 4.778 40 0 FJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000260808260 571123555 /nfs/dbraw/zinc/12/35/55/571123555.db2.gz HZZQAQSUADGSQR-PMACEKPBSA-N 1 1 374.569 4.657 40 0 FJABMO COc1cccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348842 571180158 /nfs/dbraw/zinc/18/01/58/571180158.db2.gz GXDYPEKTNDEOIE-HXUWFJFHSA-N 1 1 359.473 4.532 40 0 FJABMO COc1cccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348806 571180243 /nfs/dbraw/zinc/18/02/43/571180243.db2.gz PKQRDXMJEWTRQN-HXUWFJFHSA-N 1 1 359.473 4.532 40 0 FJABMO Fc1ccc(Cc2cccc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)cc1 ZINC000072348819 571180349 /nfs/dbraw/zinc/18/03/49/571180349.db2.gz MBVYXOCYROPMRH-FQEVSTJZSA-N 1 1 361.464 4.586 40 0 FJABMO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072358350 571183508 /nfs/dbraw/zinc/18/35/08/571183508.db2.gz OCGAJTNBGDKYBB-LJQANCHMSA-N 1 1 359.473 4.532 40 0 FJABMO Clc1cccc(-c2cncc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000072359406 571184112 /nfs/dbraw/zinc/18/41/12/571184112.db2.gz OTPHLUHBQKVFDB-SFHVURJKSA-N 1 1 364.880 4.572 40 0 FJABMO Cc1ccccc1-c1noc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)n1 ZINC000072369941 571185115 /nfs/dbraw/zinc/18/51/15/571185115.db2.gz OTGWGOKLQZVOLD-MRXNPFEDSA-N 1 1 353.853 4.688 40 0 FJABMO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000072379092 571187701 /nfs/dbraw/zinc/18/77/01/571187701.db2.gz UIXFWAQRGTULBJ-FQEVSTJZSA-N 1 1 360.505 4.770 40 0 FJABMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390034 571189621 /nfs/dbraw/zinc/18/96/21/571189621.db2.gz AOKLXMXIVVYTDV-LJQANCHMSA-N 1 1 362.477 4.635 40 0 FJABMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(F)cc1 ZINC000252207652 571291472 /nfs/dbraw/zinc/29/14/72/571291472.db2.gz VLLIYTVYPXHALX-DLBZAZTESA-N 1 1 354.469 4.549 40 0 FJABMO Fc1ccc(OCCc2cc([C@@H]3CCC[N@H+]3Cc3ccccc3)[nH]n2)cc1 ZINC000019743199 571327206 /nfs/dbraw/zinc/32/72/06/571327206.db2.gz FWHQUNQCWJUQRQ-QFIPXVFZSA-N 1 1 365.452 4.507 40 0 FJABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3cncc(Nc4ncccc4C)n3)C2)c1 ZINC000257228476 223028945 /nfs/dbraw/zinc/02/89/45/223028945.db2.gz FUAPRVVZKLARCY-HXUWFJFHSA-N 1 1 373.504 4.612 40 0 FJABMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000019498367 220263506 /nfs/dbraw/zinc/26/35/06/220263506.db2.gz ZBUWOMBQAVWIHY-INIZCTEOSA-N 1 1 350.487 4.841 40 0 FJABMO Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccs2)cc1 ZINC000004883186 207058794 /nfs/dbraw/zinc/05/87/94/207058794.db2.gz XXVGWFVZUKVJCY-YQQQUEKLSA-N 1 1 369.534 4.764 40 0 FJABMO CCOc1ccc(C[N@H+](C)[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000007781806 207207494 /nfs/dbraw/zinc/20/74/94/207207494.db2.gz NBEOWDPPBHSBLZ-MRXNPFEDSA-N 1 1 351.450 4.637 40 0 FJABMO CCOc1ccc(C[N@@H+](C)[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000007781806 207207499 /nfs/dbraw/zinc/20/74/99/207207499.db2.gz NBEOWDPPBHSBLZ-MRXNPFEDSA-N 1 1 351.450 4.637 40 0 FJABMO Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038849512 208207477 /nfs/dbraw/zinc/20/74/77/208207477.db2.gz XYKMIDWYWHQLQA-MRXNPFEDSA-N 1 1 360.860 4.638 40 0 FJABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038834685 208204918 /nfs/dbraw/zinc/20/49/18/208204918.db2.gz GSDRKUAKNAIHIF-INIZCTEOSA-N 1 1 362.395 4.556 40 0 FJABMO S=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)Nc1ccccc1 ZINC000040874670 208272176 /nfs/dbraw/zinc/27/21/76/208272176.db2.gz PSMMGWRJWWQETD-UHFFFAOYSA-N 1 1 370.909 4.677 40 0 FJABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc(F)c(F)c2)s1 ZINC000043277874 208305949 /nfs/dbraw/zinc/30/59/49/208305949.db2.gz FUUNLLKLLUTHDS-UHFFFAOYSA-N 1 1 361.461 4.624 40 0 FJABMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044933358 208321377 /nfs/dbraw/zinc/32/13/77/208321377.db2.gz SDFFYIOXHPJVSZ-YLJYHZDGSA-N 1 1 370.924 4.738 40 0 FJABMO Cc1nc([C@@H]2CCCC[N@H+]2C(C)C)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019754191 220293669 /nfs/dbraw/zinc/29/36/69/220293669.db2.gz HJBWHAUGLAXRLQ-SFHVURJKSA-N 1 1 372.900 4.626 40 0 FJABMO Cc1nc([C@@H]2CCCC[N@@H+]2C(C)C)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019754191 220293673 /nfs/dbraw/zinc/29/36/73/220293673.db2.gz HJBWHAUGLAXRLQ-SFHVURJKSA-N 1 1 372.900 4.626 40 0 FJABMO Cc1nc(NCc2ccccc2)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000328966930 132371946 /nfs/dbraw/zinc/37/19/46/132371946.db2.gz COZNPHBCYNYANX-UHFFFAOYSA-N 1 1 358.489 4.738 40 0 FJABMO CC(C)c1nc(NC2CCCC2)cc(N2Cc3ccccc3C[C@@H]2C)[nH+]1 ZINC000329068613 132373221 /nfs/dbraw/zinc/37/32/21/132373221.db2.gz YRHGGXGKULBSDU-INIZCTEOSA-N 1 1 350.510 4.906 40 0 FJABMO CCOc1ccc(N(CC(=O)c2ccc(F)cc2)C2=[NH+]CCCCC2)cc1 ZINC000006870358 263347948 /nfs/dbraw/zinc/34/79/48/263347948.db2.gz BZSNJJNNOXBBLF-UHFFFAOYSA-N 1 1 368.452 4.886 40 0 FJABMO CCOc1ccc(C(=O)CN(c2ccccc2)C2=[NH+]CCCCC2)cc1 ZINC000006870332 263347992 /nfs/dbraw/zinc/34/79/92/263347992.db2.gz IISWBBQOGHRDBQ-UHFFFAOYSA-N 1 1 350.462 4.747 40 0 FJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)C1 ZINC000020110912 524091800 /nfs/dbraw/zinc/09/18/00/524091800.db2.gz PTAQECLCLJMBHO-INIZCTEOSA-N 1 1 356.897 4.502 40 0 FJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSC3CCCCC3)cc2)C1 ZINC000020050335 524233673 /nfs/dbraw/zinc/23/36/73/524233673.db2.gz SNFSPZPCYKAFEU-GOSISDBHSA-N 1 1 374.594 4.714 40 0 FJABMO Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[N@@H+](C)Cc3ccccc3)C=C2C)o1 ZINC000035442614 560079756 /nfs/dbraw/zinc/07/97/56/560079756.db2.gz HZUFJHNPEQMTJR-FKBYEOEOSA-N 1 1 367.537 4.907 40 0 biogenic,in-vitro FJABMO CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072214368 570529984 /nfs/dbraw/zinc/52/99/84/570529984.db2.gz SGRBOVHLIJWLDU-GOSISDBHSA-N 1 1 353.466 4.766 40 0 FJABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215342 570530825 /nfs/dbraw/zinc/53/08/25/570530825.db2.gz HHUANXNQLOALAU-GOSISDBHSA-N 1 1 359.514 4.921 40 0 FJABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215328 570530961 /nfs/dbraw/zinc/53/09/61/570530961.db2.gz ZJEUZEFGBGBXOD-SFHVURJKSA-N 1 1 359.514 4.923 40 0 FJABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215327 570531103 /nfs/dbraw/zinc/53/11/03/570531103.db2.gz ZJEUZEFGBGBXOD-GOSISDBHSA-N 1 1 359.514 4.923 40 0 FJABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215402 570531528 /nfs/dbraw/zinc/53/15/28/570531528.db2.gz JXJLCIGWNFFHQO-GOSISDBHSA-N 1 1 359.514 4.921 40 0 FJABMO Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044905819 570538687 /nfs/dbraw/zinc/53/86/87/570538687.db2.gz XZCUHMYUXOJJOH-QUCCMNQESA-N 1 1 368.496 4.532 40 0 FJABMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(F)cc1 ZINC000044934000 570539265 /nfs/dbraw/zinc/53/92/65/570539265.db2.gz VMPBYCBCKDQCOV-QAPCUYQASA-N 1 1 374.887 4.569 40 0 FJABMO Cc1ccccc1-c1noc([C@@H]2CC[N@@H+](Cc3cccc4cccnc43)C2)n1 ZINC000072369943 570546712 /nfs/dbraw/zinc/54/67/12/570546712.db2.gz GZONVEQPKWAKBS-LJQANCHMSA-N 1 1 370.456 4.583 40 0 FJABMO Cc1cc(C)cc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC(C)C)c1 ZINC000004856980 570671480 /nfs/dbraw/zinc/67/14/80/570671480.db2.gz ZGIWEUNNIIBBHF-IHWFROFDSA-N 1 1 359.583 4.631 40 0 FJABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCC1)c1cccc(Cl)c1 ZINC000004887811 570672490 /nfs/dbraw/zinc/67/24/90/570672490.db2.gz WGKOWAWOMPOYAV-CTXDPNEZSA-N 1 1 360.929 4.788 40 0 FJABMO CC(C)C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(Cl)cc1)C2 ZINC000004886520 570672575 /nfs/dbraw/zinc/67/25/75/570672575.db2.gz MFAPWULZOWUBMC-AYHJJNSGSA-N 1 1 365.974 4.668 40 0 FJABMO Cc1ccc(C)c2c(=O)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(C)[nH]c12 ZINC000005800608 570679401 /nfs/dbraw/zinc/67/94/01/570679401.db2.gz NAUAUTBUVZYDHK-SBUREZEXSA-N 1 1 352.522 4.854 40 0 FJABMO O=C(Nc1ccccc1)[C@@H]([NH2+]Cc1ccccc1)c1ccc(Cl)cc1 ZINC000408734025 570684178 /nfs/dbraw/zinc/68/41/78/570684178.db2.gz DDHHXHGKGIABDK-FQEVSTJZSA-N 1 1 350.849 4.810 40 0 FJABMO COc1ccc2c(c1)c(C(=O)C[N@H+]1C[C@@]3(C)C[C@@H]1CC(C)(C)C3)c(C)n2C ZINC000012658469 570815061 /nfs/dbraw/zinc/81/50/61/570815061.db2.gz NPEAVBVVTBDHLM-HJPURHCSSA-N 1 1 368.521 4.579 40 0 FJABMO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](C3CCCCC3)CC[C@H]21 ZINC000019081602 570880013 /nfs/dbraw/zinc/88/00/13/570880013.db2.gz OMNNJOJCBIYCCY-VAMGGRTRSA-N 1 1 374.594 4.743 40 0 FJABMO Cc1cc(-c2snnc2[C@@H]2CCC[N@H+](Cc3cc(C)sc3C)C2)on1 ZINC000019120740 570880433 /nfs/dbraw/zinc/88/04/33/570880433.db2.gz KLEZSDSQLDNYOJ-CQSZACIVSA-N 1 1 374.535 4.559 40 0 FJABMO COc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2ccc(C)cn2)c(OC)c1 ZINC000019215501 570881760 /nfs/dbraw/zinc/88/17/60/570881760.db2.gz VYPSOFCJZWKCJN-FQEVSTJZSA-N 1 1 368.502 4.542 40 0 FJABMO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+](CCCc4ccccc4)C3)o2)s1 ZINC000019217598 570882292 /nfs/dbraw/zinc/88/22/92/570882292.db2.gz HBBAPVCHBWCYKO-SFHVURJKSA-N 1 1 367.518 4.919 40 0 FJABMO CC[NH+](CC)CCN[C@@H](Cc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000019364995 570887562 /nfs/dbraw/zinc/88/75/62/570887562.db2.gz FXRALHNHAFKMSP-DEOSSOPVSA-N 1 1 350.550 4.781 40 0 FJABMO CC(C)c1ncc(C[N@@H+](CCc2ccccc2)Cc2cccs2)cn1 ZINC000019453916 570889093 /nfs/dbraw/zinc/88/90/93/570889093.db2.gz TYYAUMDAQMPACM-UHFFFAOYSA-N 1 1 351.519 4.906 40 0 FJABMO Cc1nn(C)cc1C[N@@H+]1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 ZINC000019583855 570895065 /nfs/dbraw/zinc/89/50/65/570895065.db2.gz VZJTUEDUXLALDI-FQEVSTJZSA-N 1 1 368.456 4.640 40 0 FJABMO Cc1nn(C)cc1C[N@H+]1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 ZINC000019583855 570895069 /nfs/dbraw/zinc/89/50/69/570895069.db2.gz VZJTUEDUXLALDI-FQEVSTJZSA-N 1 1 368.456 4.640 40 0 FJABMO CCC[C@H](C[N@@H+](CCN(C)C)Cc1ccccc1)c1ccc(OC)cc1 ZINC000022870988 570951764 /nfs/dbraw/zinc/95/17/64/570951764.db2.gz UEQHUGUPZTYFLZ-JOCHJYFZSA-N 1 1 354.538 4.643 40 0 FJABMO CCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225575862 571046696 /nfs/dbraw/zinc/04/66/96/571046696.db2.gz OAQIBEHIIDYSQM-UHFFFAOYSA-N 1 1 374.887 4.892 40 0 FJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000225581131 571047073 /nfs/dbraw/zinc/04/70/73/571047073.db2.gz RBAMYLOSANBLNK-MRXNPFEDSA-N 1 1 373.488 4.646 40 0 FJABMO CCOc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000030754329 571049495 /nfs/dbraw/zinc/04/94/95/571049495.db2.gz UEIQNXXOAOODSI-KRWDZBQOSA-N 1 1 352.478 4.570 40 0 FJABMO O=C([C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)N1CCCc2ccccc21 ZINC000030946735 571053181 /nfs/dbraw/zinc/05/31/81/571053181.db2.gz DKEPWIHUFPICPB-LJQANCHMSA-N 1 1 368.908 4.531 40 0 FJABMO O=C([C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)N1CCCc2ccccc21 ZINC000030946737 571053495 /nfs/dbraw/zinc/05/34/95/571053495.db2.gz DKEPWIHUFPICPB-IBGZPJMESA-N 1 1 368.908 4.531 40 0 FJABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1C ZINC000038833585 571087112 /nfs/dbraw/zinc/08/71/12/571087112.db2.gz VYSOUZUDKWQTDK-GOSISDBHSA-N 1 1 356.897 4.808 40 0 FJABMO CCOc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038834279 571087189 /nfs/dbraw/zinc/08/71/89/571087189.db2.gz UKWHYFIOAFQIDD-KRWDZBQOSA-N 1 1 372.896 4.589 40 0 FJABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1C ZINC000038833590 571087315 /nfs/dbraw/zinc/08/73/15/571087315.db2.gz ACEWWXCHRVKIBM-SFHVURJKSA-N 1 1 356.897 4.808 40 0 FJABMO O=C([C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)N1CCCCCC1 ZINC000038835759 571087600 /nfs/dbraw/zinc/08/76/00/571087600.db2.gz CODTZFPFBJMNDI-OAHLLOKOSA-N 1 1 369.336 4.608 40 0 FJABMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1C ZINC000038835183 571087864 /nfs/dbraw/zinc/08/78/64/571087864.db2.gz WCXDSZABORURRW-SFHVURJKSA-N 1 1 356.897 4.808 40 0 FJABMO CC[C@@H](C)Nc1nc(N2Cc3ccccc3CC2(C)C)cc(C(C)C)[nH+]1 ZINC000328989102 571106306 /nfs/dbraw/zinc/10/63/06/571106306.db2.gz IIWHDARMTWBMSX-MRXNPFEDSA-N 1 1 352.526 4.574 40 0 FJABMO Cc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCC(C)CC4)cc3)cc2c1 ZINC000013563020 571108346 /nfs/dbraw/zinc/10/83/46/571108346.db2.gz MXAFJSJFVQBMPD-UHFFFAOYSA-N 1 1 361.489 4.685 40 0 FJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000260808261 571123737 /nfs/dbraw/zinc/12/37/37/571123737.db2.gz HZZQAQSUADGSQR-VQTJNVASSA-N 1 1 374.569 4.657 40 0 FJABMO Cc1cccc(Nc2ccc([C@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)n1 ZINC000257212626 571150433 /nfs/dbraw/zinc/15/04/33/571150433.db2.gz CEGZWFPUGTVPMC-HXUWFJFHSA-N 1 1 359.477 4.651 40 0 FJABMO Cc1cccc(Nc2ccc([C@H]3CCCC[N@H+]3Cc3cccnc3)cn2)n1 ZINC000257212626 571150436 /nfs/dbraw/zinc/15/04/36/571150436.db2.gz CEGZWFPUGTVPMC-HXUWFJFHSA-N 1 1 359.477 4.651 40 0 FJABMO COc1cccc(-c2ccc([C@@H]3CCCC[N@H+]3Cc3ccccn3)cn2)c1 ZINC000257299473 571159586 /nfs/dbraw/zinc/15/95/86/571159586.db2.gz RQFAEKLDAGZNSO-QHCPKHFHSA-N 1 1 359.473 4.879 40 0 FJABMO Fc1ccc(Cc2cccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348945 571180500 /nfs/dbraw/zinc/18/05/00/571180500.db2.gz XXQZYXVEXHIYBX-IBGZPJMESA-N 1 1 361.464 4.586 40 0 FJABMO COc1ccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)cc1 ZINC000072348931 571180532 /nfs/dbraw/zinc/18/05/32/571180532.db2.gz KKVSWUGRTVSHIQ-LJQANCHMSA-N 1 1 359.473 4.532 40 0 FJABMO Fc1cccc(Cc2cccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348948 571180598 /nfs/dbraw/zinc/18/05/98/571180598.db2.gz HWQIYSNDAWXHKB-IBGZPJMESA-N 1 1 361.464 4.586 40 0 FJABMO Cn1ccnc1C[N@H+]1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072350007 571181409 /nfs/dbraw/zinc/18/14/09/571181409.db2.gz UGEBJZDCYIRNSA-QGZVFWFLSA-N 1 1 366.896 4.515 40 0 FJABMO Clc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccccn3)C2)c1 ZINC000072358619 571183481 /nfs/dbraw/zinc/18/34/81/571183481.db2.gz LSJREMGATLVNRW-KRWDZBQOSA-N 1 1 364.880 4.572 40 0 FJABMO Clc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccncc3)C2)c1 ZINC000072358566 571183497 /nfs/dbraw/zinc/18/34/97/571183497.db2.gz UNZIMRZJURTYMV-SFHVURJKSA-N 1 1 364.880 4.572 40 0 FJABMO Clc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccncc3)C2)c1 ZINC000072358565 571183609 /nfs/dbraw/zinc/18/36/09/571183609.db2.gz UNZIMRZJURTYMV-GOSISDBHSA-N 1 1 364.880 4.572 40 0 FJABMO FC(F)(F)c1cccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2)c1 ZINC000072369948 571185130 /nfs/dbraw/zinc/18/51/30/571185130.db2.gz NSDDVFNXBHCBQY-MRXNPFEDSA-N 1 1 373.378 4.745 40 0 FJABMO Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN2C(=O)CC2CCCC2)[nH+]1 ZINC000072372554 571185433 /nfs/dbraw/zinc/18/54/33/571185433.db2.gz RDHIOVSYISYHFB-FQEVSTJZSA-N 1 1 364.493 4.772 40 0 FJABMO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@H+]3Cc3ccccc3C)n2)n1 ZINC000072375265 571185639 /nfs/dbraw/zinc/18/56/39/571185639.db2.gz OILZHIHCIHHKQN-OAQYLSRUSA-N 1 1 373.504 4.878 40 0 FJABMO c1csc(Nc2cccc([C@H]3CCC[N@@H+]3CCc3ccccc3)n2)n1 ZINC000072375141 571185804 /nfs/dbraw/zinc/18/58/04/571185804.db2.gz QPMGTRIEMHGROA-GOSISDBHSA-N 1 1 350.491 4.661 40 0 FJABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000072379111 571187820 /nfs/dbraw/zinc/18/78/20/571187820.db2.gz GTESYNOVIUNUHX-OAQYLSRUSA-N 1 1 374.532 4.642 40 0 FJABMO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+](Cc4cccc(C)c4)C3)o2)s1 ZINC000072390103 571189603 /nfs/dbraw/zinc/18/96/03/571189603.db2.gz JFQPWEKUHJUWAQ-KRWDZBQOSA-N 1 1 353.491 4.795 40 0 FJABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+](Cc4cccc(C)c4)C3)o2)s1 ZINC000072390104 571189640 /nfs/dbraw/zinc/18/96/40/571189640.db2.gz JFQPWEKUHJUWAQ-QGZVFWFLSA-N 1 1 353.491 4.795 40 0 FJABMO O=C1CC[C@@]2(CCC[N@@H+](CC3CCCCC3)CC2)N1Cc1ccccc1 ZINC000585100866 571222483 /nfs/dbraw/zinc/22/24/83/571222483.db2.gz ZRKPUUVINLJEGZ-HSZRJFAPSA-N 1 1 354.538 4.614 40 0 FJABMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038859337 571306241 /nfs/dbraw/zinc/30/62/41/571306241.db2.gz PCUPHPKLQRMQLM-KBPBESRZSA-N 1 1 357.325 4.510 40 0 FJABMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038859337 571306242 /nfs/dbraw/zinc/30/62/42/571306242.db2.gz PCUPHPKLQRMQLM-KBPBESRZSA-N 1 1 357.325 4.510 40 0 FJABMO Fc1ccc(OCCc2cc([C@H]3CCC[N@H+]3Cc3ccccc3)[nH]n2)cc1 ZINC000019743201 571327263 /nfs/dbraw/zinc/32/72/63/571327263.db2.gz FWHQUNQCWJUQRQ-JOCHJYFZSA-N 1 1 365.452 4.507 40 0 FJABMO Oc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCC2)cc1 ZINC000000904229 219338520 /nfs/dbraw/zinc/33/85/20/219338520.db2.gz GBDDAFQJPLBODG-UHFFFAOYSA-N 1 1 372.266 4.824 40 0 FJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000225335765 222834487 /nfs/dbraw/zinc/83/44/87/222834487.db2.gz HKYHNDGHWXBEEV-MRXNPFEDSA-N 1 1 371.352 4.697 40 0 FJABMO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCC2)ccc1O ZINC000000904192 209382319 /nfs/dbraw/zinc/38/23/19/209382319.db2.gz KXDLYOBNJXDGGS-UHFFFAOYSA-N 1 1 357.841 4.723 40 0 FJABMO C[N@H+]([C@H](c1nnnn1C1CCCCC1)c1ccc(F)cc1)C1CCCCC1 ZINC000000883956 209379896 /nfs/dbraw/zinc/37/98/96/209379896.db2.gz SOKMNHUOJCZRKE-FQEVSTJZSA-N 1 1 371.504 4.671 40 0 FJABMO C[N@@H+]([C@H](c1nnnn1C1CCCCC1)c1ccc(F)cc1)C1CCCCC1 ZINC000000883956 209379901 /nfs/dbraw/zinc/37/99/01/209379901.db2.gz SOKMNHUOJCZRKE-FQEVSTJZSA-N 1 1 371.504 4.671 40 0 FJABMO Cc1ccccc1C[N@H+]1CCC[C@]12CCCN(C(=O)Nc1ccccc1)C2 ZINC000096214634 209136887 /nfs/dbraw/zinc/13/68/87/209136887.db2.gz XACGGAMDZYBJDK-QHCPKHFHSA-N 1 1 363.505 4.658 40 0 FJABMO Cc1cc([C@H]2CCCCC[N@@H+]2C[C@@H](C)Cc2ccc3c(c2)OCO3)on1 ZINC000019120201 220238096 /nfs/dbraw/zinc/23/80/96/220238096.db2.gz OSKRHTGOPLSZQM-MAUKXSAKSA-N 1 1 356.466 4.508 40 0 FJABMO CC(C)C(=O)N1CC[C@]2(CCC[N@H+]2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096071046 209107457 /nfs/dbraw/zinc/10/74/57/209107457.db2.gz WPHMVSZTCBYAIT-XMMPIXPASA-N 1 1 362.517 4.577 40 0 FJABMO CCCc1ncc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)c(C)s2)cn1 ZINC000019525778 220265550 /nfs/dbraw/zinc/26/55/50/220265550.db2.gz MITXAXIFZZIIAZ-QGZVFWFLSA-N 1 1 372.563 4.638 40 0 FJABMO Cc1ccccc1-c1ncc(C[N@H+](C)Cc2cccc3ncccc23)cn1 ZINC000012191750 207346138 /nfs/dbraw/zinc/34/61/38/207346138.db2.gz RQUNDALRYKSCGJ-UHFFFAOYSA-N 1 1 354.457 4.632 40 0 FJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3cccnc3)no2)cc1 ZINC000012143933 207342137 /nfs/dbraw/zinc/34/21/37/207342137.db2.gz SFIAZIGJMVXTNR-OAQYLSRUSA-N 1 1 363.461 4.863 40 0 FJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3cccnc3)no2)cc1 ZINC000012143933 207342141 /nfs/dbraw/zinc/34/21/41/207342141.db2.gz SFIAZIGJMVXTNR-OAQYLSRUSA-N 1 1 363.461 4.863 40 0 FJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccncc3)no2)cc1 ZINC000012143935 207342396 /nfs/dbraw/zinc/34/23/96/207342396.db2.gz WERIJQCVTFZTIU-OAQYLSRUSA-N 1 1 363.461 4.863 40 0 FJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccncc3)no2)cc1 ZINC000012143935 207342399 /nfs/dbraw/zinc/34/23/99/207342399.db2.gz WERIJQCVTFZTIU-OAQYLSRUSA-N 1 1 363.461 4.863 40 0 FJABMO CCOc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000030754327 208003734 /nfs/dbraw/zinc/00/37/34/208003734.db2.gz UEIQNXXOAOODSI-QGZVFWFLSA-N 1 1 352.478 4.570 40 0 FJABMO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038834070 208206145 /nfs/dbraw/zinc/20/61/45/208206145.db2.gz QLJFMYSSRIUWDN-IBGZPJMESA-N 1 1 362.448 4.830 40 0 FJABMO CCCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038858880 208208256 /nfs/dbraw/zinc/20/82/56/208208256.db2.gz JMQRGRWARODCCG-HNNXBMFYSA-N 1 1 357.325 4.512 40 0 FJABMO CCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038858880 208208258 /nfs/dbraw/zinc/20/82/58/208208258.db2.gz JMQRGRWARODCCG-HNNXBMFYSA-N 1 1 357.325 4.512 40 0 FJABMO O=C(NC1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832548 208205481 /nfs/dbraw/zinc/20/54/81/208205481.db2.gz XTICFKZJQJYKHG-OAHLLOKOSA-N 1 1 369.336 4.654 40 0 FJABMO O=C(NC1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832548 208205482 /nfs/dbraw/zinc/20/54/82/208205482.db2.gz XTICFKZJQJYKHG-OAHLLOKOSA-N 1 1 369.336 4.654 40 0 FJABMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cnn(C3CCCCC3)c2)cc1OC ZINC000019658049 220283256 /nfs/dbraw/zinc/28/32/56/220283256.db2.gz YLPSMKBJTDRUJL-FQEVSTJZSA-N 1 1 369.509 4.743 40 0 FJABMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cnn(C3CCCCC3)c2)cc1OC ZINC000019658049 220283259 /nfs/dbraw/zinc/28/32/59/220283259.db2.gz YLPSMKBJTDRUJL-FQEVSTJZSA-N 1 1 369.509 4.743 40 0 FJABMO CCn1ncc(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccccc3)cc(C)n2)c1C ZINC000019691980 220285086 /nfs/dbraw/zinc/28/50/86/220285086.db2.gz YSSBZLGZXASMKB-XMMPIXPASA-N 1 1 374.532 4.843 40 0 FJABMO Cc1c(C[N@H+]2CCC[C@@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)cnn1C ZINC000019690927 220286429 /nfs/dbraw/zinc/28/64/29/220286429.db2.gz QWDCITLXTJCYGZ-XMMPIXPASA-N 1 1 374.532 4.668 40 0 FJABMO Fc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000072358513 208837961 /nfs/dbraw/zinc/83/79/61/208837961.db2.gz WGKFGWPNSKUWLL-FQEVSTJZSA-N 1 1 361.464 4.705 40 0 FJABMO O=C(Nc1ccc(Cl)cc1)[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000055301137 221066363 /nfs/dbraw/zinc/06/63/63/221066363.db2.gz JGWHUIPFOFUBJC-FQEVSTJZSA-N 1 1 350.849 4.810 40 0 FJABMO C[C@H]1Cc2ccccc2CN1c1cc(NCc2ccccc2)[nH+]c(C2CC2)n1 ZINC000329029106 132372727 /nfs/dbraw/zinc/37/27/27/132372727.db2.gz PXKDRJAIYJQIAJ-KRWDZBQOSA-N 1 1 370.500 4.917 40 0 FJABMO C[C@H]1Cc2ccccc2CN1c1cc(NCc2ccccc2)nc(C2CC2)[nH+]1 ZINC000329029106 132372728 /nfs/dbraw/zinc/37/27/28/132372728.db2.gz PXKDRJAIYJQIAJ-KRWDZBQOSA-N 1 1 370.500 4.917 40 0 FJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSC3CCCCC3)cc2)C1 ZINC000020050339 524091945 /nfs/dbraw/zinc/09/19/45/524091945.db2.gz SNFSPZPCYKAFEU-SFHVURJKSA-N 1 1 374.594 4.714 40 0 FJABMO Fc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)[N@H+]4CCC[C@]34C2)cc1 ZINC000247542651 526334794 /nfs/dbraw/zinc/33/47/94/526334794.db2.gz SVFQQPZSZOXLGQ-NYVOZVTQSA-N 1 1 370.899 4.891 40 0 FJABMO Fc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)N4CCC[C@]34C2)cc1 ZINC000247542651 526334800 /nfs/dbraw/zinc/33/48/00/526334800.db2.gz SVFQQPZSZOXLGQ-NYVOZVTQSA-N 1 1 370.899 4.891 40 0 FJABMO Fc1ccc(C[N@H+]2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)N4CCC[C@]34C2)cc1 ZINC000247542651 526334805 /nfs/dbraw/zinc/33/48/05/526334805.db2.gz SVFQQPZSZOXLGQ-NYVOZVTQSA-N 1 1 370.899 4.891 40 0 FJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000216382620 527370921 /nfs/dbraw/zinc/37/09/21/527370921.db2.gz MOVOPWVDTBRVAG-NTEUORMPSA-N 1 1 373.500 4.808 40 0 FJABMO CCC[N@H+]1CC[C@@]2(c3ccccc3)CCc3ncc(-c4ccccc4)n3C[C@@H]12 ZINC000306129143 528253837 /nfs/dbraw/zinc/25/38/37/528253837.db2.gz HVRMBGCKDGCSBG-ILBGXUMGSA-N 1 1 371.528 4.919 40 0 FJABMO COc1ccc(N(CC(=O)c2ccc(C)cc2C)C2=[NH+]CCCC2)cc1 ZINC000008410406 568312291 /nfs/dbraw/zinc/31/22/91/568312291.db2.gz IXMBOJIKVZRWJZ-UHFFFAOYSA-N 1 1 350.462 4.584 40 0 FJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000222676219 568552677 /nfs/dbraw/zinc/55/26/77/568552677.db2.gz HZZQAQSUADGSQR-WOJBJXKFSA-N 1 1 374.569 4.657 40 0 FJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000223006544 568590362 /nfs/dbraw/zinc/59/03/62/568590362.db2.gz CUMUELIOVZEDIW-KRWDZBQOSA-N 1 1 373.500 4.610 40 0 FJABMO O[C@](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)c1ccc(F)cc1 ZINC000001615854 570503171 /nfs/dbraw/zinc/50/31/71/570503171.db2.gz JOTQVNUKFKKTQB-SFYKDHMMSA-N 1 1 353.481 4.574 40 0 FJABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215388 570531381 /nfs/dbraw/zinc/53/13/81/570531381.db2.gz CFLZMGSGPJUNOT-SFHVURJKSA-N 1 1 359.514 4.923 40 0 FJABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215387 570531680 /nfs/dbraw/zinc/53/16/80/570531680.db2.gz CFLZMGSGPJUNOT-GOSISDBHSA-N 1 1 359.514 4.923 40 0 FJABMO CC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215519 570532032 /nfs/dbraw/zinc/53/20/32/570532032.db2.gz DSYQPTACRWJYBV-SFHVURJKSA-N 1 1 359.514 4.923 40 0 FJABMO Cc1[nH+]c(N2CCCCC2)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072219308 570534238 /nfs/dbraw/zinc/53/42/38/570534238.db2.gz IUOMTGZQYMUHRC-SFHVURJKSA-N 1 1 359.514 4.842 40 0 FJABMO Cc1[nH+]c(N2CCCCC2)ccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072219317 570534290 /nfs/dbraw/zinc/53/42/90/570534290.db2.gz RZHPWNUEVWFDHW-OAQYLSRUSA-N 1 1 363.505 4.748 40 0 FJABMO C[C@H]1C[N@@H+](CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)C(C)(C)C1 ZINC000004411229 570590161 /nfs/dbraw/zinc/59/01/61/570590161.db2.gz URSAPVYAZIFTPK-GIVPXCGWSA-N 1 1 355.522 4.790 40 0 FJABMO O=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccco1 ZINC000004883344 570612347 /nfs/dbraw/zinc/61/23/47/570612347.db2.gz DNZRJKXKGAXZLF-AYHJJNSGSA-N 1 1 373.884 4.640 40 0 FJABMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(Cl)cc1 ZINC000008406495 570681531 /nfs/dbraw/zinc/68/15/31/570681531.db2.gz RGHZERMEOHXXMS-UHFFFAOYSA-N 1 1 374.271 4.774 40 0 FJABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc4ccccc4cn3)C2)cc1OC ZINC000012222635 570729617 /nfs/dbraw/zinc/72/96/17/570729617.db2.gz SQZKYCVQJIPWMI-HXUWFJFHSA-N 1 1 362.473 4.632 40 0 FJABMO Fc1ccc(C[N@H+](Cc2cccnc2)Cc2ccnc3ccccc23)cc1 ZINC000013569165 570833088 /nfs/dbraw/zinc/83/30/88/570833088.db2.gz OQCCJSVQSYXQST-UHFFFAOYSA-N 1 1 357.432 4.971 40 0 FJABMO Fc1ccc(C[N@@H+](Cc2cccnc2)Cc2ccnc3ccccc23)cc1 ZINC000013569165 570833091 /nfs/dbraw/zinc/83/30/91/570833091.db2.gz OQCCJSVQSYXQST-UHFFFAOYSA-N 1 1 357.432 4.971 40 0 FJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000019288241 570884719 /nfs/dbraw/zinc/88/47/19/570884719.db2.gz OYQCOEMXIIIDTG-NRFANRHFSA-N 1 1 365.452 4.506 40 0 FJABMO CCCc1ncc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)c(C)s2)cn1 ZINC000019525777 570891606 /nfs/dbraw/zinc/89/16/06/570891606.db2.gz MITXAXIFZZIIAZ-KRWDZBQOSA-N 1 1 372.563 4.638 40 0 FJABMO C[NH2+]C1CCC2(CC1)CN(Cc1cccc(Cl)c1)Cc1ccccc1O2 ZINC000019591987 570895800 /nfs/dbraw/zinc/89/58/00/570895800.db2.gz SHJBGOGYBQVYTL-UHFFFAOYSA-N 1 1 370.924 4.635 40 0 FJABMO COc1cccc([C@H]2CCC[N@@H+]2Cc2c(C)nc3ccc(Cl)cn32)c1 ZINC000019715703 570899790 /nfs/dbraw/zinc/89/97/90/570899790.db2.gz WHSYIMZOINRODI-GOSISDBHSA-N 1 1 355.869 4.642 40 0 FJABMO COc1cccc([C@H]2CCC[N@H+]2Cc2c(C)nc3ccc(Cl)cn32)c1 ZINC000019715703 570899793 /nfs/dbraw/zinc/89/97/93/570899793.db2.gz WHSYIMZOINRODI-GOSISDBHSA-N 1 1 355.869 4.642 40 0 FJABMO COc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1Cl ZINC000020495902 570918602 /nfs/dbraw/zinc/91/86/02/570918602.db2.gz OYKOUZYVLROMCQ-OAHLLOKOSA-N 1 1 372.896 4.833 40 0 FJABMO CC[NH+](CC)CCN[C@H](Cc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000022871029 570951447 /nfs/dbraw/zinc/95/14/47/570951447.db2.gz FXRALHNHAFKMSP-XMMPIXPASA-N 1 1 350.550 4.781 40 0 FJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000224977855 571008398 /nfs/dbraw/zinc/00/83/98/571008398.db2.gz ZGFKXMGJHQKLIZ-QHCPKHFHSA-N 1 1 364.533 4.667 40 0 FJABMO c1csc(-c2ccc3c([C@@H]4CCCN4Cc4ccccn4)[nH+]cn3c2)c1 ZINC000306134943 571039160 /nfs/dbraw/zinc/03/91/60/571039160.db2.gz OCBYYNYVKMUIAC-SFHVURJKSA-N 1 1 360.486 4.795 40 0 FJABMO c1csc(-c2ccc3c([C@@H]4CCC[N@H+]4Cc4ccccn4)ncn3c2)c1 ZINC000306134943 571039164 /nfs/dbraw/zinc/03/91/64/571039164.db2.gz OCBYYNYVKMUIAC-SFHVURJKSA-N 1 1 360.486 4.795 40 0 FJABMO c1csc(-c2ccc3c([C@@H]4CCC[N@@H+]4Cc4ccccn4)ncn3c2)c1 ZINC000306134943 571039166 /nfs/dbraw/zinc/03/91/66/571039166.db2.gz OCBYYNYVKMUIAC-SFHVURJKSA-N 1 1 360.486 4.795 40 0 FJABMO C[C@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 ZINC000225597378 571048269 /nfs/dbraw/zinc/04/82/69/571048269.db2.gz DDCMYQBBIRAXAD-SFHVURJKSA-N 1 1 358.526 4.706 40 0 FJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)C1 ZINC000030754000 571049433 /nfs/dbraw/zinc/04/94/33/571049433.db2.gz DWLPAZDLNKXQBO-KRWDZBQOSA-N 1 1 370.924 4.844 40 0 FJABMO CSc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030938033 571052565 /nfs/dbraw/zinc/05/25/65/571052565.db2.gz OJLFISNVSAMYFH-MRXNPFEDSA-N 1 1 374.937 4.913 40 0 FJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000030938765 571052863 /nfs/dbraw/zinc/05/28/63/571052863.db2.gz DIZIEWSAIDLIQL-UHFFFAOYSA-N 1 1 360.244 4.799 40 0 FJABMO O=C(NC1CCCCCCC1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000030944018 571053237 /nfs/dbraw/zinc/05/32/37/571053237.db2.gz AFOYZJURLHQKKB-GOSISDBHSA-N 1 1 362.945 4.781 40 0 FJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(C(C)C)c(OC)cc1C ZINC000225666445 571053938 /nfs/dbraw/zinc/05/39/38/571053938.db2.gz VEQGGFVNRDNFAF-SFHVURJKSA-N 1 1 360.542 4.511 40 0 FJABMO COc1ccc(CC[N@@H+](C)C(c2ccccc2)c2ccccc2)cc1OC ZINC000031748902 571055365 /nfs/dbraw/zinc/05/53/65/571055365.db2.gz MVEWDFBCXNEXIU-UHFFFAOYSA-N 1 1 361.485 4.968 40 0 FJABMO CCC[NH+](CCC)CN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O ZINC000034848976 571074951 /nfs/dbraw/zinc/07/49/51/571074951.db2.gz GPWPEXSFGDAVJX-QGOAFFKASA-N 1 1 360.523 4.926 40 0 FJABMO Fc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cccc2cccnc21 ZINC000043277832 571100268 /nfs/dbraw/zinc/10/02/68/571100268.db2.gz WTTJGPMJIMQWDA-UHFFFAOYSA-N 1 1 374.463 4.663 40 0 FJABMO CN(C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)C1CCCCC1 ZINC000044940396 571105346 /nfs/dbraw/zinc/10/53/46/571105346.db2.gz XYGKHGMLMKSJMF-UHFFFAOYSA-N 1 1 362.517 4.650 40 0 FJABMO CCc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000260836847 571124238 /nfs/dbraw/zinc/12/42/38/571124238.db2.gz AIDUKOIYYZHCTM-RBUKOAKNSA-N 1 1 364.533 4.972 40 0 FJABMO Cc1ccccc1C(=O)Nc1cc([NH+]2C[C@H](C)C[C@@H](C)C2)c(C)cc1N ZINC000216866405 571149521 /nfs/dbraw/zinc/14/95/21/571149521.db2.gz WUQMNXDSSCVRBA-HUUCEWRRSA-N 1 1 351.494 4.620 40 0 FJABMO COc1cccc(-c2ccc([C@@H]3CCCC[N@H+]3Cc3cccnc3)cn2)c1 ZINC000257307915 571160417 /nfs/dbraw/zinc/16/04/17/571160417.db2.gz TURBVJZZTWMRSB-QHCPKHFHSA-N 1 1 359.473 4.879 40 0 FJABMO Cc1cccc(Cc2cccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348940 571180669 /nfs/dbraw/zinc/18/06/69/571180669.db2.gz RVGUDWXUKDQVCZ-NRFANRHFSA-N 1 1 357.501 4.755 40 0 FJABMO CCc1ncc(C[N@H+]2CCC[C@@H](c3cccc(-c4cccc(C)c4)n3)C2)cn1 ZINC000072350244 571181688 /nfs/dbraw/zinc/18/16/88/571181688.db2.gz BTVVVSKNMTUODX-OAQYLSRUSA-N 1 1 372.516 4.789 40 0 FJABMO CCn1ccnc1C[N@H+]1CCC[C@@H](c2cccc(-c3cccc(C)c3)n2)C1 ZINC000072350272 571181761 /nfs/dbraw/zinc/18/17/61/571181761.db2.gz DHVLRAOLWHQFCX-HXUWFJFHSA-N 1 1 360.505 4.653 40 0 FJABMO CCn1ccnc1C[N@H+]1CCC[C@H](c2cccc(-c3cccc(C)c3)n2)C1 ZINC000072350271 571181764 /nfs/dbraw/zinc/18/17/64/571181764.db2.gz DHVLRAOLWHQFCX-FQEVSTJZSA-N 1 1 360.505 4.653 40 0 FJABMO CNc1ncccc1C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccc(C)cc2)n1 ZINC000072358219 571183272 /nfs/dbraw/zinc/18/32/72/571183272.db2.gz LRJMSFYMMJDXQZ-HSZRJFAPSA-N 1 1 372.516 4.755 40 0 FJABMO CNc1ncccc1C[N@H+]1CCC[C@H]1c1cccc(Cc2ccc(C)cc2)n1 ZINC000072358218 571183284 /nfs/dbraw/zinc/18/32/84/571183284.db2.gz LRJMSFYMMJDXQZ-QHCPKHFHSA-N 1 1 372.516 4.755 40 0 FJABMO Clc1ccccc1OCCc1cc([C@H]2CC[N@H+](C3CCCCC3)C2)[nH]n1 ZINC000072371190 571185354 /nfs/dbraw/zinc/18/53/54/571185354.db2.gz FHOMKGOCASADOD-INIZCTEOSA-N 1 1 373.928 4.807 40 0 FJABMO Clc1ccccc1OCCc1cc([C@H]2CC[N@@H+](C3CCCCC3)C2)n[nH]1 ZINC000072371190 571185357 /nfs/dbraw/zinc/18/53/57/571185357.db2.gz FHOMKGOCASADOD-INIZCTEOSA-N 1 1 373.928 4.807 40 0 FJABMO Clc1ccccc1OCCc1cc([C@H]2CC[N@H+](C3CCCCC3)C2)n[nH]1 ZINC000072371190 571185360 /nfs/dbraw/zinc/18/53/60/571185360.db2.gz FHOMKGOCASADOD-INIZCTEOSA-N 1 1 373.928 4.807 40 0 FJABMO Clc1ccccc1OCCc1cc([C@@H]2CC[N@H+](C3CCCCC3)C2)[nH]n1 ZINC000072371189 571185426 /nfs/dbraw/zinc/18/54/26/571185426.db2.gz FHOMKGOCASADOD-MRXNPFEDSA-N 1 1 373.928 4.807 40 0 FJABMO Clc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](C3CCCCC3)C2)n[nH]1 ZINC000072371189 571185427 /nfs/dbraw/zinc/18/54/27/571185427.db2.gz FHOMKGOCASADOD-MRXNPFEDSA-N 1 1 373.928 4.807 40 0 FJABMO Clc1ccccc1OCCc1cc([C@@H]2CC[N@H+](C3CCCCC3)C2)n[nH]1 ZINC000072371189 571185428 /nfs/dbraw/zinc/18/54/28/571185428.db2.gz FHOMKGOCASADOD-MRXNPFEDSA-N 1 1 373.928 4.807 40 0 FJABMO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377601 571186581 /nfs/dbraw/zinc/18/65/81/571186581.db2.gz XOKPIUQNKKGASG-GOSISDBHSA-N 1 1 365.868 4.606 40 0 FJABMO Clc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377601 571186582 /nfs/dbraw/zinc/18/65/82/571186582.db2.gz XOKPIUQNKKGASG-GOSISDBHSA-N 1 1 365.868 4.606 40 0 FJABMO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@H+]2CCc2ccccc2)n1 ZINC000072379126 571187617 /nfs/dbraw/zinc/18/76/17/571187617.db2.gz NPYUVONJKATYQF-NRFANRHFSA-N 1 1 360.505 4.770 40 0 FJABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)o2)s1 ZINC000072390091 571189528 /nfs/dbraw/zinc/18/95/28/571189528.db2.gz HMUYDNZUYYWMCB-OAHLLOKOSA-N 1 1 357.454 4.625 40 0 FJABMO O=C1CC[C@]2(CCC[N@@H+](CC3CCCCC3)CC2)N1Cc1ccc(F)cc1 ZINC000585100813 571222315 /nfs/dbraw/zinc/22/23/15/571222315.db2.gz XQAMRYKFBMSMCA-QHCPKHFHSA-N 1 1 372.528 4.753 40 0 FJABMO Fc1ccccc1OCCc1cc([C@@H]2CCC[N@H+]2Cc2ccccc2)[nH]n1 ZINC000019743203 571327234 /nfs/dbraw/zinc/32/72/34/571327234.db2.gz WUMMXRZWFPLKDK-NRFANRHFSA-N 1 1 365.452 4.507 40 0 FJABMO COc1ccc(Cc2ccc([C@H]3CCCC[N@H+]3Cc3cccnc3)cn2)cc1 ZINC000257337128 210002880 /nfs/dbraw/zinc/00/28/80/210002880.db2.gz YRNLETZYFZALRJ-XMMPIXPASA-N 1 1 373.500 4.803 40 0 FJABMO Cc1cccc(Nc2ccc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)cn2)n1 ZINC000257212625 223022408 /nfs/dbraw/zinc/02/24/08/223022408.db2.gz CEGZWFPUGTVPMC-FQEVSTJZSA-N 1 1 359.477 4.651 40 0 FJABMO Cc1cccc(Nc2ccc([C@@H]3CCCC[N@H+]3Cc3cccnc3)cn2)n1 ZINC000257212625 223022415 /nfs/dbraw/zinc/02/24/15/223022415.db2.gz CEGZWFPUGTVPMC-FQEVSTJZSA-N 1 1 359.477 4.651 40 0 FJABMO Cc1cccnc1Nc1ccc([C@@H]2CCCC[N@H+]2Cc2ccncc2)cn1 ZINC000257330005 223067697 /nfs/dbraw/zinc/06/76/97/223067697.db2.gz XMJTZQNBGMPHLX-FQEVSTJZSA-N 1 1 359.477 4.651 40 0 FJABMO COc1ccc(N(CC(=O)c2ccc(C)cc2)C2=[NH+]CCCCC2)cc1 ZINC000008411400 219862163 /nfs/dbraw/zinc/86/21/63/219862163.db2.gz OQGOSVUBKOEIKS-UHFFFAOYSA-N 1 1 350.462 4.665 40 0 FJABMO COc1cccc(-c2[nH+]c3ccccn3c2NC2CCCCC2)c1OC ZINC000000881948 209380641 /nfs/dbraw/zinc/38/06/41/209380641.db2.gz KFOGSSGGYQRJGX-UHFFFAOYSA-N 1 1 351.450 4.763 40 0 FJABMO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(Cl)cc2)cc1 ZINC000013570223 220075350 /nfs/dbraw/zinc/07/53/50/220075350.db2.gz RSFSQORBAWQGDD-UHFFFAOYSA-N 1 1 352.865 4.946 40 0 FJABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(Cl)cc2)cc1 ZINC000013570223 220075352 /nfs/dbraw/zinc/07/53/52/220075352.db2.gz RSFSQORBAWQGDD-UHFFFAOYSA-N 1 1 352.865 4.946 40 0 FJABMO Cc1ccc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c(C)c1 ZINC000016780789 220193775 /nfs/dbraw/zinc/19/37/75/220193775.db2.gz BMJRCDLYKBZUHW-UHFFFAOYSA-N 1 1 358.485 4.944 40 0 FJABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000019081791 220235333 /nfs/dbraw/zinc/23/53/33/220235333.db2.gz RFSHXPJKQABFBM-TZIWHRDSSA-N 1 1 371.569 4.577 40 0 FJABMO COc1ccc(C[NH2+][C@H](Cc2ccsc2)c2ccc(C)cn2)c(OC)c1 ZINC000019215503 220239025 /nfs/dbraw/zinc/23/90/25/220239025.db2.gz VYPSOFCJZWKCJN-HXUWFJFHSA-N 1 1 368.502 4.542 40 0 FJABMO Fc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccccn3)on2)cc1 ZINC000019401750 220254643 /nfs/dbraw/zinc/25/46/43/220254643.db2.gz PYVAGUSBPVQRTI-FQEVSTJZSA-N 1 1 351.425 4.993 40 0 FJABMO CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)cn1 ZINC000019524926 220266097 /nfs/dbraw/zinc/26/60/97/220266097.db2.gz SZJGTOQIJJXEJG-HXUWFJFHSA-N 1 1 368.456 4.814 40 0 FJABMO CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)cn1 ZINC000019524926 220266101 /nfs/dbraw/zinc/26/61/01/220266101.db2.gz SZJGTOQIJJXEJG-HXUWFJFHSA-N 1 1 368.456 4.814 40 0 FJABMO COc1ccc(C(=O)CN(c2cc(C)ccc2C)C2=[NH+]CCCC2)cc1 ZINC000008410748 207232704 /nfs/dbraw/zinc/23/27/04/207232704.db2.gz SWACHULFUXNVBJ-UHFFFAOYSA-N 1 1 350.462 4.584 40 0 FJABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038834686 208206046 /nfs/dbraw/zinc/20/60/46/208206046.db2.gz GSDRKUAKNAIHIF-MRXNPFEDSA-N 1 1 362.395 4.556 40 0 FJABMO CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038834337 208206089 /nfs/dbraw/zinc/20/60/89/208206089.db2.gz JOIQHIGMNHQIGG-KRWDZBQOSA-N 1 1 372.896 4.589 40 0 FJABMO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000038856094 208208610 /nfs/dbraw/zinc/20/86/10/208208610.db2.gz APPGOWJQSGFYEY-IBGZPJMESA-N 1 1 354.469 4.602 40 0 FJABMO Cc1cccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000044909775 208322282 /nfs/dbraw/zinc/32/22/82/208322282.db2.gz LHDJCKWCWOVCLB-HXUWFJFHSA-N 1 1 364.533 4.590 40 0 FJABMO FC(F)(F)c1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000049169370 221019969 /nfs/dbraw/zinc/01/99/69/221019969.db2.gz AZSGIFKRWWNZCD-INIZCTEOSA-N 1 1 373.378 4.745 40 0 biogenic,in-vitro FJABMO COc1cccc(-c2ccc([C@H]3CCCC[N@H+]3Cc3cccnc3)cn2)c1 ZINC000257307914 533370919 /nfs/dbraw/zinc/37/09/19/533370919.db2.gz TURBVJZZTWMRSB-HSZRJFAPSA-N 1 1 359.473 4.879 40 0 FJABMO Cc1ccc(C(=O)Nc2cc([NH+]3C[C@@H](C)C[C@H](C)C3)c(C)cc2N)cc1 ZINC000216867636 132271755 /nfs/dbraw/zinc/27/17/55/132271755.db2.gz BWMNABFPYPLVMU-HOTGVXAUSA-N 1 1 351.494 4.620 40 0 FJABMO COc1ccc(Cc2ccc([C@@H]3CCCC[N@H+]3Cc3cccnc3)cn2)cc1 ZINC000257337127 533810778 /nfs/dbraw/zinc/81/07/78/533810778.db2.gz YRNLETZYFZALRJ-DEOSSOPVSA-N 1 1 373.500 4.803 40 0 FJABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000020035936 522530631 /nfs/dbraw/zinc/53/06/31/522530631.db2.gz RJQBZQVPLDKKEY-GCJKJVERSA-N 1 1 350.506 4.800 40 0 FJABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000020035932 522782865 /nfs/dbraw/zinc/78/28/65/522782865.db2.gz RJQBZQVPLDKKEY-XMSQKQJNSA-N 1 1 350.506 4.800 40 0 FJABMO CCC[N@H+]1CC[C@@]2(c3ccccc3)CCc3ncc(-c4ccccc4)n3C[C@H]12 ZINC000306129145 528254273 /nfs/dbraw/zinc/25/42/73/528254273.db2.gz HVRMBGCKDGCSBG-UKILVPOCSA-N 1 1 371.528 4.919 40 0 FJABMO O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](CC2CCCCC2)C1 ZINC000004237301 560197770 /nfs/dbraw/zinc/19/77/70/560197770.db2.gz AZMNYINCINXNEI-ZWKOTPCHSA-N 1 1 368.546 4.576 40 0 biogenic,in-vitro FJABMO O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](C2CCCCC2)CC1 ZINC000585282122 570492677 /nfs/dbraw/zinc/49/26/77/570492677.db2.gz XYCXQULBTLTYPH-LJQANCHMSA-N 1 1 372.336 4.922 40 0 FJABMO Clc1ccccc1CN(Cc1ccccc1Cl)CC1CC[NH2+]CC1 ZINC000072203327 570527238 /nfs/dbraw/zinc/52/72/38/570527238.db2.gz AWCYZCAEUQVFBJ-UHFFFAOYSA-N 1 1 363.332 4.995 40 0 FJABMO CC(C)(C)OC(=O)Nc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214308 570530038 /nfs/dbraw/zinc/53/00/38/570530038.db2.gz ZNEMIIZGZRDHHN-GOSISDBHSA-N 1 1 353.466 4.766 40 0 FJABMO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214428 570530144 /nfs/dbraw/zinc/53/01/44/570530144.db2.gz YFKHCEBUNWUNAQ-LJQANCHMSA-N 1 1 367.493 4.790 40 0 FJABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215386 570531659 /nfs/dbraw/zinc/53/16/59/570531659.db2.gz FNJJITFJKSYNPR-SFHVURJKSA-N 1 1 359.514 4.778 40 0 FJABMO Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044905820 570538698 /nfs/dbraw/zinc/53/86/98/570538698.db2.gz XZCUHMYUXOJJOH-ICSRJNTNSA-N 1 1 368.496 4.532 40 0 FJABMO c1csc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000034086981 570648164 /nfs/dbraw/zinc/64/81/64/570648164.db2.gz UXYJZCLJPYUZCM-GOTSBHOMSA-N 1 1 362.542 4.896 40 0 FJABMO c1csc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000034086981 570648168 /nfs/dbraw/zinc/64/81/68/570648168.db2.gz UXYJZCLJPYUZCM-GOTSBHOMSA-N 1 1 362.542 4.896 40 0 FJABMO c1csc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000034086981 570648173 /nfs/dbraw/zinc/64/81/73/570648173.db2.gz UXYJZCLJPYUZCM-GOTSBHOMSA-N 1 1 362.542 4.896 40 0 FJABMO COc1ccc(-c2[nH+]c3ccc(C)cn3c2NCc2ccccc2)cc1OC ZINC000004848455 570669886 /nfs/dbraw/zinc/66/98/86/570669886.db2.gz BARIGRGUFRRRMV-UHFFFAOYSA-N 1 1 373.456 4.939 40 0 FJABMO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CCCC2)c1C ZINC000004857145 570671528 /nfs/dbraw/zinc/67/15/28/570671528.db2.gz ZLDIGORJNNGUCY-CTXDPNEZSA-N 1 1 371.594 4.918 40 0 FJABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(Cl)c1 ZINC000004887914 570672525 /nfs/dbraw/zinc/67/25/25/570672525.db2.gz FUBOBDOVQPLINL-SEJPIABJSA-N 1 1 368.908 4.656 40 0 FJABMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000004886719 570672624 /nfs/dbraw/zinc/67/26/24/570672624.db2.gz KIDOFKNTYRTJQS-GOOCMWNKSA-N 1 1 369.431 4.622 40 0 FJABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000036092679 570693816 /nfs/dbraw/zinc/69/38/16/570693816.db2.gz RJQBZQVPLDKKEY-PGRDOPGGSA-N 1 1 350.506 4.800 40 0 FJABMO Fc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccncc3)no2)cc1 ZINC000012143943 570722253 /nfs/dbraw/zinc/72/22/53/570722253.db2.gz DEGWBCZCEAMJND-HXUWFJFHSA-N 1 1 351.425 4.993 40 0 FJABMO Fc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccncc3)no2)cc1 ZINC000012143943 570722255 /nfs/dbraw/zinc/72/22/55/570722255.db2.gz DEGWBCZCEAMJND-HXUWFJFHSA-N 1 1 351.425 4.993 40 0 FJABMO Cc1cccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000009063649 570797643 /nfs/dbraw/zinc/79/76/43/570797643.db2.gz AGVDWMXHAFTNFY-UHFFFAOYSA-N 1 1 360.860 4.638 40 0 FJABMO COc1ccc(C[N@H+](Cc2ccncc2)CC2CCCCC2)cc1OC ZINC000013989881 570840692 /nfs/dbraw/zinc/84/06/92/570840692.db2.gz GLJALXZUNULHFX-UHFFFAOYSA-N 1 1 354.494 4.681 40 0 FJABMO Cc1[nH]c2ccc(F)cc2c1[C@@H](O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000019581400 570894970 /nfs/dbraw/zinc/89/49/70/570894970.db2.gz MSHAKHSQENXAFY-NRFANRHFSA-N 1 1 368.427 4.577 40 0 FJABMO CSc1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000022509186 570944746 /nfs/dbraw/zinc/94/47/46/570944746.db2.gz ILHDFWUIKITQQF-INIZCTEOSA-N 1 1 354.519 4.893 40 0 FJABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2cccc(F)c2)cc1 ZINC000005155764 570951526 /nfs/dbraw/zinc/95/15/26/570951526.db2.gz UVOCKBWJADXADZ-VJBWXMMDSA-N 1 1 369.480 4.703 40 0 FJABMO O=C(Nc1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221090 571027709 /nfs/dbraw/zinc/02/77/09/571027709.db2.gz MRKUUMRIUUNSFV-OAHLLOKOSA-N 1 1 363.288 4.844 40 0 FJABMO O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220437 571027958 /nfs/dbraw/zinc/02/79/58/571027958.db2.gz OMQNMTDKAPLOMB-LJQANCHMSA-N 1 1 360.929 4.559 40 0 FJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NC(C)(C)Cc3ccccc3)cc2)C1 ZINC000225474775 571038255 /nfs/dbraw/zinc/03/82/55/571038255.db2.gz WNWDGTRCUQUDKH-LJQANCHMSA-N 1 1 364.533 4.670 40 0 FJABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c(C)c1 ZINC000225574496 571046629 /nfs/dbraw/zinc/04/66/29/571046629.db2.gz LMFAKVWWQUXUCG-UHFFFAOYSA-N 1 1 374.887 4.947 40 0 FJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(C(C)C)c(OC)cc1C ZINC000225666417 571053934 /nfs/dbraw/zinc/05/39/34/571053934.db2.gz VEQGGFVNRDNFAF-GOSISDBHSA-N 1 1 360.542 4.511 40 0 FJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)C1 ZINC000038771602 571086543 /nfs/dbraw/zinc/08/65/43/571086543.db2.gz UCSMGGQRCOVYRA-XXAPSYRMSA-N 1 1 366.549 4.617 40 0 FJABMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833134 571086829 /nfs/dbraw/zinc/08/68/29/571086829.db2.gz SWFXAWZOPBULHB-AWEZNQCLSA-N 1 1 363.288 4.844 40 0 FJABMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038833134 571086830 /nfs/dbraw/zinc/08/68/30/571086830.db2.gz SWFXAWZOPBULHB-AWEZNQCLSA-N 1 1 363.288 4.844 40 0 FJABMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038834996 571087069 /nfs/dbraw/zinc/08/70/69/571087069.db2.gz HNALCLVCBOHNMI-HNNXBMFYSA-N 1 1 363.288 4.844 40 0 FJABMO CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038833642 571087091 /nfs/dbraw/zinc/08/70/91/571087091.db2.gz KEAGTACVHNMEKE-GOSISDBHSA-N 1 1 356.897 4.753 40 0 FJABMO Cc1cc(C)cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000038833523 571087236 /nfs/dbraw/zinc/08/72/36/571087236.db2.gz AYMHZBSIZJSNHI-SFHVURJKSA-N 1 1 356.897 4.808 40 0 FJABMO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038833457 571087341 /nfs/dbraw/zinc/08/73/41/571087341.db2.gz DLIURSFFQPDCRL-GOSISDBHSA-N 1 1 356.897 4.808 40 0 FJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000038860493 571088184 /nfs/dbraw/zinc/08/81/84/571088184.db2.gz JFTFDHDKQYXONA-UHFFFAOYSA-N 1 1 359.351 4.511 40 0 FJABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cc(F)cc(F)c2)s1 ZINC000043277880 571099949 /nfs/dbraw/zinc/09/99/49/571099949.db2.gz VRSSHANGCURSTQ-UHFFFAOYSA-N 1 1 361.461 4.624 40 0 FJABMO Cc1cccnc1-n1cccc1C[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC000057797089 571122580 /nfs/dbraw/zinc/12/25/80/571122580.db2.gz COCCGWGAWOUHMI-UHFFFAOYSA-N 1 1 368.484 4.778 40 0 FJABMO Cc1cccnc1-n1cccc1C[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC000057797089 571122581 /nfs/dbraw/zinc/12/25/81/571122581.db2.gz COCCGWGAWOUHMI-UHFFFAOYSA-N 1 1 368.484 4.778 40 0 FJABMO CCc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000260836844 571124270 /nfs/dbraw/zinc/12/42/70/571124270.db2.gz AIDUKOIYYZHCTM-OALUTQOASA-N 1 1 364.533 4.972 40 0 FJABMO Fc1cccc(Cc2ccc([C@@H]3CCCC[N@@H+]3Cc3ccccn3)cn2)c1 ZINC000257210602 571150617 /nfs/dbraw/zinc/15/06/17/571150617.db2.gz BVIGFVIALWBCKR-QHCPKHFHSA-N 1 1 361.464 4.934 40 0 FJABMO Fc1cccc(Cc2ccc([C@@H]3CCCC[N@H+]3Cc3ccccn3)cn2)c1 ZINC000257210602 571150620 /nfs/dbraw/zinc/15/06/20/571150620.db2.gz BVIGFVIALWBCKR-QHCPKHFHSA-N 1 1 361.464 4.934 40 0 FJABMO Cc1cccnc1Nc1ccc([C@H]2CCCC[N@@H+]2Cc2cccnc2)cn1 ZINC000257222961 571151774 /nfs/dbraw/zinc/15/17/74/571151774.db2.gz DVHMKQGTRVLBBN-HXUWFJFHSA-N 1 1 359.477 4.651 40 0 FJABMO Cc1cccnc1Nc1ccc([C@H]2CCCC[N@H+]2Cc2cccnc2)cn1 ZINC000257222961 571151775 /nfs/dbraw/zinc/15/17/75/571151775.db2.gz DVHMKQGTRVLBBN-HXUWFJFHSA-N 1 1 359.477 4.651 40 0 FJABMO Fc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348821 571180203 /nfs/dbraw/zinc/18/02/03/571180203.db2.gz XBLNONSDNSXGDJ-HXUWFJFHSA-N 1 1 361.464 4.586 40 0 FJABMO Fc1cccc(Cc2cccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348860 571180521 /nfs/dbraw/zinc/18/05/21/571180521.db2.gz KFGVDMXOURLCTK-FQEVSTJZSA-N 1 1 361.464 4.586 40 0 FJABMO Fc1ccccc1Cc1cccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072348943 571180606 /nfs/dbraw/zinc/18/06/06/571180606.db2.gz FPPQYDHVIICLTM-IBGZPJMESA-N 1 1 361.464 4.586 40 0 FJABMO COc1cccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348929 571180664 /nfs/dbraw/zinc/18/06/64/571180664.db2.gz QANGOWXZUMBYFP-LJQANCHMSA-N 1 1 359.473 4.532 40 0 FJABMO Cc1cc(Cc2ccccc2)cc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072356009 571182242 /nfs/dbraw/zinc/18/22/42/571182242.db2.gz YELBNIBNVOLEQM-HSZRJFAPSA-N 1 1 357.501 4.755 40 0 FJABMO Cc1cc(Cc2ccccc2)cc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072356021 571182469 /nfs/dbraw/zinc/18/24/69/571182469.db2.gz JIPHPLDEYRSMGI-JOCHJYFZSA-N 1 1 357.501 4.755 40 0 FJABMO Clc1ccccc1Cc1cccc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072358160 571183328 /nfs/dbraw/zinc/18/33/28/571183328.db2.gz XXUDICWLNLEGHV-NRFANRHFSA-N 1 1 356.897 4.642 40 0 FJABMO FC(F)(F)c1cccc(-c2noc([C@H]3CC[N@@H+](Cc4ccccc4)C3)n2)c1 ZINC000072369947 571185030 /nfs/dbraw/zinc/18/50/30/571185030.db2.gz NSDDVFNXBHCBQY-INIZCTEOSA-N 1 1 373.378 4.745 40 0 FJABMO CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1CC1CC1 ZINC000072370667 571185407 /nfs/dbraw/zinc/18/54/07/571185407.db2.gz TWGNXGZBMVMTCE-KRWDZBQOSA-N 1 1 370.562 4.800 40 0 FJABMO Cc1ccccc1C[N@H+]1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375268 571185722 /nfs/dbraw/zinc/18/57/22/571185722.db2.gz PMWOFRNAUCNAMR-SFHVURJKSA-N 1 1 350.491 4.927 40 0 FJABMO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3ccccc3C)n2)n1 ZINC000072375266 571185795 /nfs/dbraw/zinc/18/57/95/571185795.db2.gz OILZHIHCIHHKQN-NRFANRHFSA-N 1 1 373.504 4.878 40 0 FJABMO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000072376750 571186264 /nfs/dbraw/zinc/18/62/64/571186264.db2.gz FNXSINYEJKJKHM-FQEVSTJZSA-N 1 1 362.452 4.592 40 0 FJABMO Clc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377600 571186622 /nfs/dbraw/zinc/18/66/22/571186622.db2.gz XOKPIUQNKKGASG-SFHVURJKSA-N 1 1 365.868 4.606 40 0 FJABMO Clc1ccc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377600 571186624 /nfs/dbraw/zinc/18/66/24/571186624.db2.gz XOKPIUQNKKGASG-SFHVURJKSA-N 1 1 365.868 4.606 40 0 FJABMO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000072379073 571187448 /nfs/dbraw/zinc/18/74/48/571187448.db2.gz AZHMFIVJABZGPM-FQEVSTJZSA-N 1 1 364.468 4.867 40 0 FJABMO CC(C)c1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389983 571189264 /nfs/dbraw/zinc/18/92/64/571189264.db2.gz FZNMSZASNLAMLN-FQEVSTJZSA-N 1 1 362.477 4.635 40 0 FJABMO O=C1CC[C@@]2(CCC[N@@H+](CC3CCCCC3)CC2)N1CC1CCCCC1 ZINC000585100660 571221370 /nfs/dbraw/zinc/22/13/70/571221370.db2.gz SCJXRRBOIPFENT-HSZRJFAPSA-N 1 1 360.586 4.994 40 0 FJABMO O=C1CC[C@@]2(CCC[N@@H+](CCc3ccccc3)CC2)N1CC1CCCCC1 ZINC000585099955 571221862 /nfs/dbraw/zinc/22/18/62/571221862.db2.gz AUQYKOLSJRJCGD-XMMPIXPASA-N 1 1 368.565 4.657 40 0 FJABMO Cc1cc([C@H]2CCCCC[N@@H+]2C[C@H](C)Cc2ccc3c(c2)OCO3)no1 ZINC000019119368 571303802 /nfs/dbraw/zinc/30/38/02/571303802.db2.gz QKSRVUXJRJEXMU-DNVCBOLYSA-N 1 1 356.466 4.508 40 0 FJABMO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000044912828 571306325 /nfs/dbraw/zinc/30/63/25/571306325.db2.gz SVAWLAPZEJNREM-APWZRJJASA-N 1 1 368.908 4.530 40 0 FJABMO Cc1cccnc1Nc1ccc([C@H]2CCCC[N@H+]2Cc2ccncc2)cn1 ZINC000257330006 210000149 /nfs/dbraw/zinc/00/01/49/210000149.db2.gz XMJTZQNBGMPHLX-HXUWFJFHSA-N 1 1 359.477 4.651 40 0 FJABMO CC(C)(C)Nc1c(-c2ccc(O)cc2)[nH+]c2ccc(Br)cn21 ZINC000000904227 219338634 /nfs/dbraw/zinc/33/86/34/219338634.db2.gz IOCQLEKOJAZBCO-UHFFFAOYSA-N 1 1 360.255 4.680 40 0 FJABMO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225574541 222851623 /nfs/dbraw/zinc/85/16/23/222851623.db2.gz ZVECYHWUFMMQTH-UHFFFAOYSA-N 1 1 374.887 4.947 40 0 FJABMO Cc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225574580 222851776 /nfs/dbraw/zinc/85/17/76/222851776.db2.gz DYYPXPGIQLIALC-UHFFFAOYSA-N 1 1 374.887 4.947 40 0 FJABMO CCC(C)(C)Nc1c(-c2ccc(OC)c(OC)c2)[nH+]c2cccc(C)n21 ZINC000004848466 209426824 /nfs/dbraw/zinc/42/68/24/209426824.db2.gz LPTSTJIZXARAJR-UHFFFAOYSA-N 1 1 353.466 4.927 40 0 FJABMO COc1ccc(-c2[nH+]c3ccc(C)cn3c2NC2CCCCC2)cc1O ZINC000000881952 209380376 /nfs/dbraw/zinc/38/03/76/209380376.db2.gz MIJCIQPBQGXVQX-UHFFFAOYSA-N 1 1 351.450 4.769 40 0 FJABMO c1csc(-c2ccc3c([C@H]4CCC[N@H+]4Cc4ccncc4)ncn3c2)c1 ZINC000306137089 223111278 /nfs/dbraw/zinc/11/12/78/223111278.db2.gz QLHQXDAOQNYOJP-GOSISDBHSA-N 1 1 360.486 4.795 40 0 FJABMO c1csc(-c2ccc3c([C@H]4CCC[N@@H+]4Cc4ccncc4)ncn3c2)c1 ZINC000306137089 223111281 /nfs/dbraw/zinc/11/12/81/223111281.db2.gz QLHQXDAOQNYOJP-GOSISDBHSA-N 1 1 360.486 4.795 40 0 FJABMO c1csc(-c2ccc3c([C@H]4CCCN4Cc4ccncc4)[nH+]cn3c2)c1 ZINC000306137089 223111282 /nfs/dbraw/zinc/11/12/82/223111282.db2.gz QLHQXDAOQNYOJP-GOSISDBHSA-N 1 1 360.486 4.795 40 0 FJABMO CC(=Cc1ccccc1)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000019014335 220233130 /nfs/dbraw/zinc/23/31/30/220233130.db2.gz AQKGRTSCYROUEQ-YDILYMIDSA-N 1 1 351.465 4.744 40 0 FJABMO Cc1ccc(C[N@H+](Cc2cccn2-c2ccccn2)Cc2ccncc2)cc1 ZINC000019210175 220239574 /nfs/dbraw/zinc/23/95/74/220239574.db2.gz TXXMWVCFFSWUIL-UHFFFAOYSA-N 1 1 368.484 4.778 40 0 FJABMO Cc1ccc(C[N@@H+](Cc2cccn2-c2ccccn2)Cc2ccncc2)cc1 ZINC000019210175 220239577 /nfs/dbraw/zinc/23/95/77/220239577.db2.gz TXXMWVCFFSWUIL-UHFFFAOYSA-N 1 1 368.484 4.778 40 0 FJABMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1ccncc1C)CC2 ZINC000019239530 220243863 /nfs/dbraw/zinc/24/38/63/220243863.db2.gz JZBCRFNHIGSIIL-DEOSSOPVSA-N 1 1 374.484 4.555 40 0 FJABMO c1csc([C@@H](Cc2ccsc2)[NH2+]Cc2cccc3cccnc32)n1 ZINC000019347325 220251455 /nfs/dbraw/zinc/25/14/55/220251455.db2.gz VUKMOODEOZGLQC-QGZVFWFLSA-N 1 1 351.500 4.826 40 0 FJABMO CCC[C@@H](C[N@@H+](CCN(C)C)Cc1ccccc1)c1ccc(OC)cc1 ZINC000019366355 220253926 /nfs/dbraw/zinc/25/39/26/220253926.db2.gz UEQHUGUPZTYFLZ-QFIPXVFZSA-N 1 1 354.538 4.643 40 0 FJABMO c1cc(C[N@@H+]2CCC[C@H]2c2nnc(-c3nccc4ccccc43)o2)cs1 ZINC000019376494 220255373 /nfs/dbraw/zinc/25/53/73/220255373.db2.gz QOGAPZHZDLSZJD-KRWDZBQOSA-N 1 1 362.458 4.683 40 0 FJABMO c1cc(C[N@H+]2CCC[C@H]2c2nnc(-c3nccc4ccccc43)o2)cs1 ZINC000019376494 220255378 /nfs/dbraw/zinc/25/53/78/220255378.db2.gz QOGAPZHZDLSZJD-KRWDZBQOSA-N 1 1 362.458 4.683 40 0 FJABMO CCc1ccc(C[N@H+]2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)cc1 ZINC000019522880 220265675 /nfs/dbraw/zinc/26/56/75/220265675.db2.gz IPFPYMLCZPQCPM-LJQANCHMSA-N 1 1 350.466 4.663 40 0 FJABMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000005164652 207084416 /nfs/dbraw/zinc/08/44/16/207084416.db2.gz HMOJGKUPOBIJBW-TZRRMPRUSA-N 1 1 365.517 4.872 40 0 FJABMO O=C(Nc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000035289452 207115528 /nfs/dbraw/zinc/11/55/28/207115528.db2.gz LYTJUAPBQQFQRY-AYHJJNSGSA-N 1 1 369.896 4.657 40 0 FJABMO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038833711 208206651 /nfs/dbraw/zinc/20/66/51/208206651.db2.gz DUAQDBYMTMKOTO-LJQANCHMSA-N 1 1 354.469 4.800 40 0 FJABMO CCc1cccc(CC)c1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038856216 208208070 /nfs/dbraw/zinc/20/80/70/208208070.db2.gz QNFDNAPVAVCKIE-FQEVSTJZSA-N 1 1 368.496 4.801 40 0 FJABMO CCOc1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000038834318 208205212 /nfs/dbraw/zinc/20/52/12/208205212.db2.gz YPECPTAEEFQRBL-QGZVFWFLSA-N 1 1 352.478 4.570 40 0 FJABMO CCOc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044911198 208322603 /nfs/dbraw/zinc/32/26/03/208322603.db2.gz OJLGYLLGVRDTBV-QGZVFWFLSA-N 1 1 372.896 4.589 40 0 FJABMO Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044905817 208323137 /nfs/dbraw/zinc/32/31/37/208323137.db2.gz XZCUHMYUXOJJOH-AZUAARDMSA-N 1 1 368.496 4.532 40 0 FJABMO Cc1ccc(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000020357436 220324067 /nfs/dbraw/zinc/32/40/67/220324067.db2.gz YJWADOTYZKBFIE-UHFFFAOYSA-N 1 1 368.480 4.523 40 0 FJABMO Cn1c2ccccc2nc1[C@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000049171219 221021109 /nfs/dbraw/zinc/02/11/09/221021109.db2.gz DNINZFNHGMOOCT-FQEVSTJZSA-N 1 1 368.484 4.625 40 0 biogenic,in-vitro FJABMO Cc1cccc(C(=O)Nc2cc([N@@H+]3C[C@H](C)C[C@H](C)C3)c(C)cc2N)c1 ZINC000216866950 132271510 /nfs/dbraw/zinc/27/15/10/132271510.db2.gz UGDWBJPHNRRQPD-IYBDPMFKSA-N 1 1 351.494 4.620 40 0 FJABMO Cc1cccc(C(=O)Nc2cc([N@H+]3C[C@H](C)C[C@H](C)C3)c(C)cc2N)c1 ZINC000216866950 132271511 /nfs/dbraw/zinc/27/15/11/132271511.db2.gz UGDWBJPHNRRQPD-IYBDPMFKSA-N 1 1 351.494 4.620 40 0 FJABMO Cc1cccc(C(=O)Nc2cc([NH+]3C[C@@H](C)C[C@H](C)C3)c(C)cc2N)c1 ZINC000216866977 132271631 /nfs/dbraw/zinc/27/16/31/132271631.db2.gz UGDWBJPHNRRQPD-HOTGVXAUSA-N 1 1 351.494 4.620 40 0 FJABMO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000328962044 132371736 /nfs/dbraw/zinc/37/17/36/132371736.db2.gz BGTKFUAJYUTBHE-OAHLLOKOSA-N 1 1 350.510 4.862 40 0 FJABMO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]c(C2CC2)n1 ZINC000328962044 132371737 /nfs/dbraw/zinc/37/17/37/132371737.db2.gz BGTKFUAJYUTBHE-OAHLLOKOSA-N 1 1 350.510 4.862 40 0 FJABMO CC(C)c1cc(N2Cc3ccccc3CC2(C)C)nc(NC2CCCC2)[nH+]1 ZINC000328977181 132372051 /nfs/dbraw/zinc/37/20/51/132372051.db2.gz FRVOFMOFXPXXHJ-UHFFFAOYSA-N 1 1 364.537 4.718 40 0 FJABMO CC[C@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C2CC2)[nH+]1 ZINC000329005288 132372249 /nfs/dbraw/zinc/37/22/49/132372249.db2.gz KXQMXERIPSXHGV-HNNXBMFYSA-N 1 1 350.510 4.906 40 0 FJABMO CC[C@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C2CC2)n1 ZINC000329005288 132372250 /nfs/dbraw/zinc/37/22/50/132372250.db2.gz KXQMXERIPSXHGV-HNNXBMFYSA-N 1 1 350.510 4.906 40 0 FJABMO CC[C@@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C2CC2)[nH+]1 ZINC000329005289 132372323 /nfs/dbraw/zinc/37/23/23/132372323.db2.gz KXQMXERIPSXHGV-OAHLLOKOSA-N 1 1 350.510 4.906 40 0 FJABMO CC[C@@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C2CC2)n1 ZINC000329005289 132372324 /nfs/dbraw/zinc/37/23/24/132372324.db2.gz KXQMXERIPSXHGV-OAHLLOKOSA-N 1 1 350.510 4.906 40 0 FJABMO Cc1nc(NC2CCCCC2)cc(N2Cc3ccccc3C(C)(C)C2)[nH+]1 ZINC000329023013 132372576 /nfs/dbraw/zinc/37/25/76/132372576.db2.gz OQGRCODUGFKZMY-UHFFFAOYSA-N 1 1 350.510 4.827 40 0 FJABMO Clc1cccc(CN2CCC[C@]23CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000096214651 222079847 /nfs/dbraw/zinc/07/98/47/222079847.db2.gz SIYWCZUMGLFFJI-QFIPXVFZSA-N 1 1 354.925 4.971 40 0 FJABMO Clc1cccc(C[N@@H+]2CCC[C@]23CCCN(Cc2ccccc2)C3)c1 ZINC000096214651 222079849 /nfs/dbraw/zinc/07/98/49/222079849.db2.gz SIYWCZUMGLFFJI-QFIPXVFZSA-N 1 1 354.925 4.971 40 0 FJABMO Clc1cccc(C[N@H+]2CCC[C@]23CCCN(Cc2ccccc2)C3)c1 ZINC000096214651 222079853 /nfs/dbraw/zinc/07/98/53/222079853.db2.gz SIYWCZUMGLFFJI-QFIPXVFZSA-N 1 1 354.925 4.971 40 0 FJABMO COc1ccc(C[NH2+][C@@H](Cc2cccs2)c2nccs2)c(C)c1C ZINC000019577412 263374200 /nfs/dbraw/zinc/37/42/00/263374200.db2.gz GFJUAOMHOCTTKM-KRWDZBQOSA-N 1 1 358.532 4.904 40 0 FJABMO COc1ccc(Cc2ccc([C@H]3CCCC[N@H+]3Cc3ccncc3)cn2)cc1 ZINC000257264889 533809290 /nfs/dbraw/zinc/80/92/90/533809290.db2.gz LWKBGBIOLKYXEO-XMMPIXPASA-N 1 1 373.500 4.803 40 0 FJABMO Fc1cccc(Cc2ccc([C@@H]3CCCC[N@H+]3Cc3cccnc3)cn2)c1 ZINC000257261066 534520113 /nfs/dbraw/zinc/52/01/13/534520113.db2.gz LFONACNQQXKNHX-QHCPKHFHSA-N 1 1 361.464 4.934 40 0 FJABMO c1csc(C[N@H+]2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 ZINC000306123359 534520971 /nfs/dbraw/zinc/52/09/71/534520971.db2.gz AKXDYIKPQILULJ-LJQANCHMSA-N 1 1 360.486 4.795 40 0 FJABMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000216277497 568116159 /nfs/dbraw/zinc/11/61/59/568116159.db2.gz GDTNVMDIOZZKDY-MOPGFXCFSA-N 1 1 350.506 4.718 40 0 FJABMO COc1ccc(CC[N@@H+](C)[C@@H](C)C2C3CC4CC(C3)CC2C4)cc1OC ZINC000001557578 570501767 /nfs/dbraw/zinc/50/17/67/570501767.db2.gz OYYPFWBWRHXFKJ-YJQWLVMKSA-N 1 1 357.538 4.639 40 0 FJABMO CC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215614 570527778 /nfs/dbraw/zinc/52/77/78/570527778.db2.gz KJXMQVPOIUMVRT-SFHVURJKSA-N 1 1 359.514 4.923 40 0 FJABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215385 570531548 /nfs/dbraw/zinc/53/15/48/570531548.db2.gz FNJJITFJKSYNPR-GOSISDBHSA-N 1 1 359.514 4.778 40 0 FJABMO CC(C)[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215501 570531583 /nfs/dbraw/zinc/53/15/83/570531583.db2.gz BRJSBHIDSZRVOO-GOSISDBHSA-N 1 1 359.514 4.921 40 0 FJABMO CC(C)[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215502 570531713 /nfs/dbraw/zinc/53/17/13/570531713.db2.gz BRJSBHIDSZRVOO-SFHVURJKSA-N 1 1 359.514 4.921 40 0 FJABMO C[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215577 570532087 /nfs/dbraw/zinc/53/20/87/570532087.db2.gz OLWOHLVAFVNJFR-GOSISDBHSA-N 1 1 359.514 4.923 40 0 FJABMO CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC000035292356 570638918 /nfs/dbraw/zinc/63/89/18/570638918.db2.gz AHSYATVYHAXTJO-JLYLLQBASA-N 1 1 371.525 4.535 40 0 FJABMO CC(C)n1c2ccccc2nc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000004858170 570671488 /nfs/dbraw/zinc/67/14/88/570671488.db2.gz IDOPHBARQHDXOC-UHFFFAOYSA-N 1 1 368.912 4.593 40 0 FJABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1)c1ccc(Cl)cc1 ZINC000004888081 570672768 /nfs/dbraw/zinc/67/27/68/570672768.db2.gz TUEOKNBERHQRRE-AYHJJNSGSA-N 1 1 374.937 4.717 40 0 FJABMO O=C(Nc1cccc(F)c1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000113934910 570826209 /nfs/dbraw/zinc/82/62/09/570826209.db2.gz ZLLMHWATGXPTTP-UHFFFAOYSA-N 1 1 360.432 4.636 40 0 FJABMO O=c1[nH]c2cc3c(cc2cc1CNc1ccc([NH+]2CCCCC2)cc1)CCC3 ZINC000013563477 570833612 /nfs/dbraw/zinc/83/36/12/570833612.db2.gz CCTXJMDRDXRLEE-UHFFFAOYSA-N 1 1 373.500 4.619 40 0 FJABMO COc1ccc(C[NH2+][C@@H](Cc2cccs2)c2nc(C)cs2)c(OC)c1 ZINC000019240087 570884028 /nfs/dbraw/zinc/88/40/28/570884028.db2.gz UKIMGGABLWNEOB-KRWDZBQOSA-N 1 1 374.531 4.604 40 0 FJABMO Fc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3cccnc3)on2)cc1 ZINC000019339158 570886082 /nfs/dbraw/zinc/88/60/82/570886082.db2.gz BKQDBMYLPSAGDU-HXUWFJFHSA-N 1 1 351.425 4.993 40 0 FJABMO CC(C)Oc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)c1 ZINC000019450793 570889115 /nfs/dbraw/zinc/88/91/15/570889115.db2.gz QJZDZHMJRVUOFQ-LIMIJEPZSA-N 1 1 369.480 4.628 40 0 FJABMO CCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220648 571027729 /nfs/dbraw/zinc/02/77/29/571027729.db2.gz RPILTHHQYJLIRL-GOSISDBHSA-N 1 1 356.897 4.753 40 0 FJABMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220840 571027924 /nfs/dbraw/zinc/02/79/24/571027924.db2.gz GGOGEQKTRJDWKH-KRWDZBQOSA-N 1 1 372.896 4.508 40 0 FJABMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030938639 571052730 /nfs/dbraw/zinc/05/27/30/571052730.db2.gz CNWAKTILVDNPGX-OAHLLOKOSA-N 1 1 363.288 4.844 40 0 FJABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c(C)c1 ZINC000038833338 571087082 /nfs/dbraw/zinc/08/70/82/571087082.db2.gz VZGCPNLIKRYNKH-SFHVURJKSA-N 1 1 356.897 4.808 40 0 FJABMO CCOc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038834282 571087224 /nfs/dbraw/zinc/08/72/24/571087224.db2.gz FERWOKBIOOTKRM-QGZVFWFLSA-N 1 1 372.896 4.589 40 0 FJABMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCCCCC1 ZINC000038835745 571087829 /nfs/dbraw/zinc/08/78/29/571087829.db2.gz KBNNEAXJUSVFJU-INIZCTEOSA-N 1 1 369.336 4.608 40 0 FJABMO Fc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccc2ncccc2c1 ZINC000043277829 571100089 /nfs/dbraw/zinc/10/00/89/571100089.db2.gz HAQBZLDIFJCXLW-UHFFFAOYSA-N 1 1 374.463 4.663 40 0 FJABMO Fc1cccc(Cc2cccc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072348822 571180303 /nfs/dbraw/zinc/18/03/03/571180303.db2.gz XBLNONSDNSXGDJ-FQEVSTJZSA-N 1 1 361.464 4.586 40 0 FJABMO Cn1ccnc1C[N@H+]1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072350006 571181386 /nfs/dbraw/zinc/18/13/86/571181386.db2.gz UGEBJZDCYIRNSA-KRWDZBQOSA-N 1 1 366.896 4.515 40 0 FJABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3nccnc3-c3ccccc3F)C2)cc1 ZINC000072358382 571183594 /nfs/dbraw/zinc/18/35/94/571183594.db2.gz FXUSMWKANQPVPF-QGZVFWFLSA-N 1 1 365.427 4.801 40 0 FJABMO Clc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(Nc2ncccn2)n1 ZINC000072375114 571185693 /nfs/dbraw/zinc/18/56/93/571185693.db2.gz JLLTYITXWHPEQA-SFHVURJKSA-N 1 1 365.868 4.606 40 0 FJABMO Clc1ccccc1C[N@H+]1CCC[C@H]1c1cccc(Nc2ncccn2)n1 ZINC000072375114 571185694 /nfs/dbraw/zinc/18/56/94/571185694.db2.gz JLLTYITXWHPEQA-SFHVURJKSA-N 1 1 365.868 4.606 40 0 FJABMO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000072379146 571187557 /nfs/dbraw/zinc/18/75/57/571187557.db2.gz XFJJRMOXXKMFIO-SFHVURJKSA-N 1 1 352.526 4.903 40 0 FJABMO O=C1CC[C@]2(CCC[N@@H+](CC3CCCCC3)CC2)N1CC1CCCCC1 ZINC000585100661 571221378 /nfs/dbraw/zinc/22/13/78/571221378.db2.gz SCJXRRBOIPFENT-QHCPKHFHSA-N 1 1 360.586 4.994 40 0 FJABMO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000015836722 571353381 /nfs/dbraw/zinc/35/33/81/571353381.db2.gz DNSRMGQVMZILBK-QGZVFWFLSA-N 1 1 361.869 4.703 40 0 FJABMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000015836722 571353382 /nfs/dbraw/zinc/35/33/82/571353382.db2.gz DNSRMGQVMZILBK-QGZVFWFLSA-N 1 1 361.869 4.703 40 0 FJABMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc(NC(=O)C3(C)CCCC3)cc2)C1 ZINC000225596981 209822828 /nfs/dbraw/zinc/82/28/28/209822828.db2.gz DAXQZTJSXTZCFM-HDICACEKSA-N 1 1 358.526 4.562 40 0 FJABMO Fc1ccc(Cc2ccc([C@H]3CCCC[N@H+]3Cc3cccnc3)cn2)cc1 ZINC000257252411 223038988 /nfs/dbraw/zinc/03/89/88/223038988.db2.gz JURWBQMIZAOBOE-HSZRJFAPSA-N 1 1 361.464 4.934 40 0 FJABMO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000257296860 223055414 /nfs/dbraw/zinc/05/54/14/223055414.db2.gz REQSIJQVUNWRST-KRWDZBQOSA-N 1 1 369.484 4.631 40 0 FJABMO Cc1ccccc1-c1noc([C@H]2CC[N@@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000257321955 223064491 /nfs/dbraw/zinc/06/44/91/223064491.db2.gz WEBHFOLIZHNEOU-SFHVURJKSA-N 1 1 370.456 4.583 40 0 FJABMO c1cc(CN[C@H]2CC3(CC[NH+](CC4CC4)CC3)Oc3ccccc32)cs1 ZINC000096242804 209143350 /nfs/dbraw/zinc/14/33/50/209143350.db2.gz BBBSZFDYLWUGKK-FQEVSTJZSA-N 1 1 368.546 4.606 40 0 FJABMO Fc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000013562959 220074332 /nfs/dbraw/zinc/07/43/32/220074332.db2.gz HSBAYIHQSCXMDL-ILBGXUMGSA-N 1 1 374.503 4.974 40 0 FJABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+](CCCc4ccccc4)C3)o2)s1 ZINC000019217594 220240961 /nfs/dbraw/zinc/24/09/61/220240961.db2.gz HBBAPVCHBWCYKO-GOSISDBHSA-N 1 1 367.518 4.919 40 0 FJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000019288239 220247367 /nfs/dbraw/zinc/24/73/67/220247367.db2.gz OYQCOEMXIIIDTG-OAQYLSRUSA-N 1 1 365.452 4.506 40 0 FJABMO Fc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3cccnc3)on2)cc1 ZINC000019339154 220251900 /nfs/dbraw/zinc/25/19/00/220251900.db2.gz BKQDBMYLPSAGDU-FQEVSTJZSA-N 1 1 351.425 4.993 40 0 FJABMO CCc1ccc(C[N@H+]2CCCC[C@H]2c2[nH]ncc2-c2cc(C)no2)cc1 ZINC000019522881 220265645 /nfs/dbraw/zinc/26/56/45/220265645.db2.gz IPFPYMLCZPQCPM-IBGZPJMESA-N 1 1 350.466 4.663 40 0 FJABMO Fc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccncc3)no2)cc1 ZINC000012143942 207342257 /nfs/dbraw/zinc/34/22/57/207342257.db2.gz DEGWBCZCEAMJND-FQEVSTJZSA-N 1 1 351.425 4.993 40 0 FJABMO Fc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccncc3)no2)cc1 ZINC000012143942 207342261 /nfs/dbraw/zinc/34/22/61/207342261.db2.gz DEGWBCZCEAMJND-FQEVSTJZSA-N 1 1 351.425 4.993 40 0 FJABMO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2ncccc23)c1OC1CCCC1 ZINC000012222691 207350585 /nfs/dbraw/zinc/35/05/85/207350585.db2.gz VBAZFRHWKXUWDK-LAUBAEHRSA-N 1 1 364.489 4.673 40 0 FJABMO COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2ncccc23)c1OC1CCCC1 ZINC000012222691 207350590 /nfs/dbraw/zinc/35/05/90/207350590.db2.gz VBAZFRHWKXUWDK-LAUBAEHRSA-N 1 1 364.489 4.673 40 0 FJABMO Cc1ccccc1OCCCn1c2ccccc2nc1C[NH+]1CCCCC1 ZINC000035167745 208119006 /nfs/dbraw/zinc/11/90/06/208119006.db2.gz OWKXUQKBCKDMMY-UHFFFAOYSA-N 1 1 363.505 4.800 40 0 FJABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1Cl ZINC000038849679 208208660 /nfs/dbraw/zinc/20/86/60/208208660.db2.gz VLQOQLBGIJBJLD-INIZCTEOSA-N 1 1 360.860 4.638 40 0 FJABMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1C ZINC000038835178 208205006 /nfs/dbraw/zinc/20/50/06/208205006.db2.gz LJTUGGUWKCUQJC-GOSISDBHSA-N 1 1 356.897 4.808 40 0 FJABMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833129 208205438 /nfs/dbraw/zinc/20/54/38/208205438.db2.gz IMAKLADTCYLRQC-OAHLLOKOSA-N 1 1 363.288 4.844 40 0 FJABMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833129 208205441 /nfs/dbraw/zinc/20/54/41/208205441.db2.gz IMAKLADTCYLRQC-OAHLLOKOSA-N 1 1 363.288 4.844 40 0 FJABMO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044934851 208321889 /nfs/dbraw/zinc/32/18/89/208321889.db2.gz YWLNRFLHNUCKAM-UYAOXDASSA-N 1 1 368.496 4.532 40 0 FJABMO CNc1cncc([C@@H]2CCC[N@H+]2Cc2ccccc2-c2ccccc2OC)n1 ZINC000257295138 533072118 /nfs/dbraw/zinc/07/21/18/533072118.db2.gz QXDIESUTBMCXKD-NRFANRHFSA-N 1 1 374.488 4.531 40 0 FJABMO CSc1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020043774 220310715 /nfs/dbraw/zinc/31/07/15/220310715.db2.gz HBKALLBXOQQKNQ-MRXNPFEDSA-N 1 1 354.519 4.893 40 0 FJABMO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1)c1ccc(C)cc1C ZINC000044856727 220962321 /nfs/dbraw/zinc/96/23/21/220962321.db2.gz UDVBVEAESNBZQT-QFIPXVFZSA-N 1 1 361.489 4.738 40 0 FJABMO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)o2)cc1 ZINC000049169893 221021042 /nfs/dbraw/zinc/02/10/42/221021042.db2.gz RTTKHPCFRKPFEI-KRWDZBQOSA-N 1 1 353.853 4.688 40 0 biogenic,in-vitro FJABMO CC(C)[NH+]1CCC2(CC1)C[C@@H](NCc1cccs1)c1ccccc1O2 ZINC000096242712 222097527 /nfs/dbraw/zinc/09/75/27/222097527.db2.gz MNJANUORIVAWED-LJQANCHMSA-N 1 1 356.535 4.605 40 0 FJABMO CC[C@@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329024876 522233948 /nfs/dbraw/zinc/23/39/48/522233948.db2.gz PCUVWIBRVMGJAM-CYBMUJFWSA-N 1 1 356.901 4.781 40 0 FJABMO CC[C@@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329024876 522233953 /nfs/dbraw/zinc/23/39/53/522233953.db2.gz PCUVWIBRVMGJAM-CYBMUJFWSA-N 1 1 356.901 4.781 40 0 FJABMO Cc1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020459176 524318351 /nfs/dbraw/zinc/31/83/51/524318351.db2.gz CFMUEJMTWZMMFO-FQEVSTJZSA-N 1 1 364.533 4.590 40 0 FJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cccc2ccccc21 ZINC000023247757 568394075 /nfs/dbraw/zinc/39/40/75/568394075.db2.gz BMCBLHUPAOEDFM-HSZRJFAPSA-N 1 1 359.517 4.721 40 0 FJABMO O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](C2CCCC2)CC1 ZINC000585281689 570491753 /nfs/dbraw/zinc/49/17/53/570491753.db2.gz PDSHDCDBPSQWDJ-GOSISDBHSA-N 1 1 358.309 4.532 40 0 FJABMO COc1cc2c3c(c1OC)-c1[nH]c4ccccc4c1[C@@H]1CCC[N@@H+](CC2)[C@H]31 ZINC000001587372 570502633 /nfs/dbraw/zinc/50/26/33/570502633.db2.gz JSWHPWDJHXROFD-NYHFZMIOSA-N 1 1 360.457 4.642 40 0 FJABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215326 570530976 /nfs/dbraw/zinc/53/09/76/570530976.db2.gz SOYGEFNYRVQWTR-SFHVURJKSA-N 1 1 359.514 4.778 40 0 FJABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215400 570531390 /nfs/dbraw/zinc/53/13/90/570531390.db2.gz IJQWYGMZODBDSX-GOSISDBHSA-N 1 1 359.514 4.923 40 0 FJABMO C[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215728 570532899 /nfs/dbraw/zinc/53/28/99/570532899.db2.gz OCCFIILAKZILJW-GOSISDBHSA-N 1 1 359.514 4.923 40 0 FJABMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044933554 570539251 /nfs/dbraw/zinc/53/92/51/570539251.db2.gz GDTNVMDIOZZKDY-OALUTQOASA-N 1 1 350.506 4.718 40 0 FJABMO Cc1ccc2[nH+]c(-c3cccs3)c(NCc3ccc4c(c3)OCO4)n2c1 ZINC000004848460 570669880 /nfs/dbraw/zinc/66/98/80/570669880.db2.gz CIZKJNIGNRWKEX-UHFFFAOYSA-N 1 1 363.442 4.712 40 0 FJABMO Cc1ccc(C)c(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC(C)C)c1 ZINC000008677153 570684757 /nfs/dbraw/zinc/68/47/57/570684757.db2.gz GIDUUQQNNWXFDI-YQQQUEKLSA-N 1 1 359.583 4.631 40 0 FJABMO COc1ccc2[nH]c(C)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008700910 570685345 /nfs/dbraw/zinc/68/53/45/570685345.db2.gz UFRQGZAOHIQFKU-NYHFZMIOSA-N 1 1 354.494 4.658 40 0 FJABMO COc1ccc(-c2[nH]c3ncccc3c2C[N@@H+](C)Cc2ccccc2)cc1 ZINC000012144232 570722207 /nfs/dbraw/zinc/72/22/07/570722207.db2.gz NDHGYOZNGOVOST-UHFFFAOYSA-N 1 1 357.457 4.871 40 0 FJABMO Cc1cccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1C ZINC000009063665 570797751 /nfs/dbraw/zinc/79/77/51/570797751.db2.gz SBGMIWWRXBROMI-UHFFFAOYSA-N 1 1 374.887 4.947 40 0 FJABMO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2ccc(C)c(C)c2)on1 ZINC000019213979 570881988 /nfs/dbraw/zinc/88/19/88/570881988.db2.gz AQTQGYKRWNJDIH-LJQANCHMSA-N 1 1 350.466 4.717 40 0 FJABMO c1[nH]nc(-c2ccccc2)c1C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC000019371157 570888038 /nfs/dbraw/zinc/88/80/38/570888038.db2.gz ORURLZWZMGJGNN-UHFFFAOYSA-N 1 1 368.484 4.717 40 0 FJABMO Cc1ncc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)s1 ZINC000019715797 570899774 /nfs/dbraw/zinc/89/97/74/570899774.db2.gz SSUFKWBBKPVXKR-MRXNPFEDSA-N 1 1 354.523 4.762 40 0 FJABMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2F)cc1 ZINC000005254865 570955633 /nfs/dbraw/zinc/95/56/33/570955633.db2.gz WGYUNJBUDLXZGQ-PMVMPFDFSA-N 1 1 369.480 4.703 40 0 FJABMO CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220563 571027691 /nfs/dbraw/zinc/02/76/91/571027691.db2.gz NMGLLLMYBLLZQZ-QGZVFWFLSA-N 1 1 372.896 4.589 40 0 FJABMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220835 571027899 /nfs/dbraw/zinc/02/78/99/571027899.db2.gz GGOGEQKTRJDWKH-QGZVFWFLSA-N 1 1 372.896 4.508 40 0 FJABMO c1csc(-c2ccc3c([C@@H]4CCC[N@H+]4Cc4ccncc4)ncn3c2)c1 ZINC000306137090 571040467 /nfs/dbraw/zinc/04/04/67/571040467.db2.gz QLHQXDAOQNYOJP-SFHVURJKSA-N 1 1 360.486 4.795 40 0 FJABMO c1csc(-c2ccc3c([C@@H]4CCC[N@@H+]4Cc4ccncc4)ncn3c2)c1 ZINC000306137090 571040470 /nfs/dbraw/zinc/04/04/70/571040470.db2.gz QLHQXDAOQNYOJP-SFHVURJKSA-N 1 1 360.486 4.795 40 0 FJABMO c1csc(-c2ccc3c([C@@H]4CCCN4Cc4ccncc4)[nH+]cn3c2)c1 ZINC000306137090 571040472 /nfs/dbraw/zinc/04/04/72/571040472.db2.gz QLHQXDAOQNYOJP-SFHVURJKSA-N 1 1 360.486 4.795 40 0 FJABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccccc1 ZINC000225576690 571046730 /nfs/dbraw/zinc/04/67/30/571046730.db2.gz DGWCCXJAFXADKZ-OAHLLOKOSA-N 1 1 374.887 4.569 40 0 FJABMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C2(C)CCCC2)cc1 ZINC000225597423 571048274 /nfs/dbraw/zinc/04/82/74/571048274.db2.gz MACYHVTYEPJZJL-GOSISDBHSA-N 1 1 358.526 4.849 40 0 FJABMO O=C(NC1CCCCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030944009 571053475 /nfs/dbraw/zinc/05/34/75/571053475.db2.gz VQORJZJXOCTZCI-SFHVURJKSA-N 1 1 362.945 4.781 40 0 FJABMO O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225903002 571078838 /nfs/dbraw/zinc/07/88/38/571078838.db2.gz YLDSAOSSRHKURE-HNNXBMFYSA-N 1 1 363.288 4.844 40 0 FJABMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833130 571086759 /nfs/dbraw/zinc/08/67/59/571086759.db2.gz IMAKLADTCYLRQC-HNNXBMFYSA-N 1 1 363.288 4.844 40 0 FJABMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038833130 571086762 /nfs/dbraw/zinc/08/67/62/571086762.db2.gz IMAKLADTCYLRQC-HNNXBMFYSA-N 1 1 363.288 4.844 40 0 FJABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000038833334 571086788 /nfs/dbraw/zinc/08/67/88/571086788.db2.gz ZWJRRABWTCJSDX-SFHVURJKSA-N 1 1 356.897 4.808 40 0 FJABMO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038833461 571086996 /nfs/dbraw/zinc/08/69/96/571086996.db2.gz WLSONQXVTOPOAU-GOSISDBHSA-N 1 1 356.897 4.808 40 0 FJABMO CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038833643 571087008 /nfs/dbraw/zinc/08/70/08/571087008.db2.gz KEAGTACVHNMEKE-SFHVURJKSA-N 1 1 356.897 4.753 40 0 FJABMO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038833867 571087307 /nfs/dbraw/zinc/08/73/07/571087307.db2.gz UWJVHQICGBVXMO-OAHLLOKOSA-N 1 1 363.288 4.844 40 0 FJABMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1C ZINC000038835179 571087798 /nfs/dbraw/zinc/08/77/98/571087798.db2.gz LJTUGGUWKCUQJC-SFHVURJKSA-N 1 1 356.897 4.808 40 0 FJABMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000044790136 571102078 /nfs/dbraw/zinc/10/20/78/571102078.db2.gz OSJKIIKWJRHKMU-DZGCQCFKSA-N 1 1 357.325 4.510 40 0 FJABMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000044790136 571102080 /nfs/dbraw/zinc/10/20/80/571102080.db2.gz OSJKIIKWJRHKMU-DZGCQCFKSA-N 1 1 357.325 4.510 40 0 FJABMO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000044912821 571104762 /nfs/dbraw/zinc/10/47/62/571104762.db2.gz SVAWLAPZEJNREM-VQIMIIECSA-N 1 1 368.908 4.530 40 0 FJABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000044934014 571105303 /nfs/dbraw/zinc/10/53/03/571105303.db2.gz HCANGIHHYOOZER-MAUKXSAKSA-N 1 1 374.887 4.569 40 0 FJABMO Cc1oc2ccccc2c1C[N@H+](CCCOC(C)C)Cc1ccncc1 ZINC000057797126 571122591 /nfs/dbraw/zinc/12/25/91/571122591.db2.gz PJUQHTQPAZKBPL-UHFFFAOYSA-N 1 1 352.478 4.954 40 0 FJABMO c1ccc(C[C@@H]2CCC[N@H+](Cc3ccccc3OCc3cccnc3)C2)nc1 ZINC000257235531 571152775 /nfs/dbraw/zinc/15/27/75/571152775.db2.gz GYFMXGMMSZSCBN-FQEVSTJZSA-N 1 1 373.500 4.510 40 0 FJABMO Cc1csc([C@@H](Cc2cccs2)[NH2+]Cc2cc3c(cc2C)OCO3)n1 ZINC000072341767 571179474 /nfs/dbraw/zinc/17/94/74/571179474.db2.gz VHFCFRKXNOJQNI-MRXNPFEDSA-N 1 1 372.515 4.624 40 0 FJABMO COc1ccc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)cc1 ZINC000072348809 571180152 /nfs/dbraw/zinc/18/01/52/571180152.db2.gz XPGFEMDKXVPLKT-FQEVSTJZSA-N 1 1 359.473 4.532 40 0 FJABMO Fc1ccc(Cc2cccc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)cc1 ZINC000072348818 571180289 /nfs/dbraw/zinc/18/02/89/571180289.db2.gz MBVYXOCYROPMRH-HXUWFJFHSA-N 1 1 361.464 4.586 40 0 FJABMO Fc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348949 571180537 /nfs/dbraw/zinc/18/05/37/571180537.db2.gz HWQIYSNDAWXHKB-LJQANCHMSA-N 1 1 361.464 4.586 40 0 FJABMO CCc1ncc(C[N@H+]2CCC[C@H](c3cccc(-c4cccc(C)c4)n3)C2)cn1 ZINC000072350243 571181703 /nfs/dbraw/zinc/18/17/03/571181703.db2.gz BTVVVSKNMTUODX-NRFANRHFSA-N 1 1 372.516 4.789 40 0 FJABMO Cc1cc(Cc2ccccc2)cc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072356010 571182257 /nfs/dbraw/zinc/18/22/57/571182257.db2.gz YELBNIBNVOLEQM-QHCPKHFHSA-N 1 1 357.501 4.755 40 0 FJABMO Cc1ccc(-c2noc([C@H]3CC[N@@H+](Cc4ccnc5ccccc45)C3)n2)cc1 ZINC000072369990 571185125 /nfs/dbraw/zinc/18/51/25/571185125.db2.gz JJIILQKHALFITJ-IBGZPJMESA-N 1 1 370.456 4.583 40 0 FJABMO Cc1c(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccccc3C)cc(C)n2)cnn1C ZINC000072372453 571185417 /nfs/dbraw/zinc/18/54/17/571185417.db2.gz FEHVLNLSJWBTTG-XMMPIXPASA-N 1 1 374.532 4.668 40 0 FJABMO Cc1cccc(C[N@H+]2CCC[C@H]2c2cccc(Nc3nccs3)n2)c1 ZINC000072375272 571185616 /nfs/dbraw/zinc/18/56/16/571185616.db2.gz HZMFECFILUAHKF-SFHVURJKSA-N 1 1 350.491 4.927 40 0 FJABMO Clc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375115 571185814 /nfs/dbraw/zinc/18/58/14/571185814.db2.gz GHVJMTDZBJFFLZ-GOSISDBHSA-N 1 1 365.868 4.606 40 0 FJABMO Clc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375115 571185816 /nfs/dbraw/zinc/18/58/16/571185816.db2.gz GHVJMTDZBJFFLZ-GOSISDBHSA-N 1 1 365.868 4.606 40 0 FJABMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)cc1C ZINC000072376436 571185961 /nfs/dbraw/zinc/18/59/61/571185961.db2.gz GMRXBCYYNSDXSO-NRFANRHFSA-N 1 1 373.504 4.878 40 0 FJABMO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000072379091 571187854 /nfs/dbraw/zinc/18/78/54/571187854.db2.gz UIXFWAQRGTULBJ-HXUWFJFHSA-N 1 1 360.505 4.770 40 0 FJABMO FC(F)c1cc([C@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2c2ccccc2)[nH]n1 ZINC000072389756 571189325 /nfs/dbraw/zinc/18/93/25/571189325.db2.gz GYKZZEATVMLHRZ-MOPGFXCFSA-N 1 1 367.443 4.773 40 0 FJABMO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+](Cc4ccc(C)cc4)C3)o2)s1 ZINC000072390095 571189663 /nfs/dbraw/zinc/18/96/63/571189663.db2.gz OODKBXQKLGMKID-KRWDZBQOSA-N 1 1 353.491 4.795 40 0 FJABMO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)cc1 ZINC000306131067 571213791 /nfs/dbraw/zinc/21/37/91/571213791.db2.gz JVOPSZFPJJXMQS-OAQYLSRUSA-N 1 1 372.447 4.873 40 0 FJABMO Fc1ccc(C[N@H+]2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)cc1 ZINC000306131067 571213794 /nfs/dbraw/zinc/21/37/94/571213794.db2.gz JVOPSZFPJJXMQS-OAQYLSRUSA-N 1 1 372.447 4.873 40 0 FJABMO Fc1ccc(CN2CCC[C@@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)cc1 ZINC000306131067 571213798 /nfs/dbraw/zinc/21/37/98/571213798.db2.gz JVOPSZFPJJXMQS-OAQYLSRUSA-N 1 1 372.447 4.873 40 0 FJABMO c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000013564360 571303589 /nfs/dbraw/zinc/30/35/89/571303589.db2.gz MGXJQLLOZXQAEP-LOSJGSFVSA-N 1 1 356.513 4.835 40 0 FJABMO c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000013564360 571303590 /nfs/dbraw/zinc/30/35/90/571303590.db2.gz MGXJQLLOZXQAEP-LOSJGSFVSA-N 1 1 356.513 4.835 40 0 FJABMO c1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000013564360 571303591 /nfs/dbraw/zinc/30/35/91/571303591.db2.gz MGXJQLLOZXQAEP-LOSJGSFVSA-N 1 1 356.513 4.835 40 0 FJABMO CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(C[N@@H+](C)C3CCCCC3)cc2)C1 ZINC000019711931 571304677 /nfs/dbraw/zinc/30/46/77/571304677.db2.gz CGTKDXCYEWHLDN-PKTZIBPZSA-N 1 1 372.553 4.540 40 0 FJABMO