smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(NC(=O)NC(=O)c3ccccc3F)cc2Cl)CC1 ZINC000004571374 204054157 /nfs/dbraw/zinc/05/41/57/204054157.db2.gz SQPYAXVEEMPIGE-UHFFFAOYSA-N 1 1 390.846 3.193 40 0 GGABMO COc1ccc2c(c1OC(C)=O)C1=CC(OC(C)=O)=CC[C@@]13CC[N@H+](C)[C@@H]3C2 ZINC000005712218 204147372 /nfs/dbraw/zinc/14/73/72/204147372.db2.gz DSQSOQSMHHJMSK-DENIHFKCSA-N 1 1 383.444 3.101 40 0 GGABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COc2c(F)cc(Br)cc2F)C1 ZINC000006008117 204160895 /nfs/dbraw/zinc/16/08/95/204160895.db2.gz AUCXNZLKIXLPGQ-LOWVWBTDSA-N 1 1 378.257 3.445 40 0 GGABMO COc1ccc(-c2cc3nc(C)c(C)c(NCCC[NH+]4CCOCC4)n3n2)cc1 ZINC000035315213 204167897 /nfs/dbraw/zinc/16/78/97/204167897.db2.gz VUCNQRQIXDIVJQ-UHFFFAOYSA-N 1 1 395.507 3.156 40 0 GGABMO Cc1nc2cc(-c3ccc(F)cc3)nn2c(NCCC[NH+]2CCOCC2)c1C ZINC000035315168 204169078 /nfs/dbraw/zinc/16/90/78/204169078.db2.gz CHLLQYOTEQMAGI-UHFFFAOYSA-N 1 1 383.471 3.286 40 0 GGABMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000006697226 204192050 /nfs/dbraw/zinc/19/20/50/204192050.db2.gz YGGKPFOFVPQMIO-MELADBBJSA-N 1 1 389.805 3.087 40 0 GGABMO COC(=O)C1C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000008815948 204290873 /nfs/dbraw/zinc/29/08/73/204290873.db2.gz QMNXGBKRHCNDKP-MDOVXXIYSA-N 1 1 385.508 3.062 40 0 GGABMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)C4CCCC4)CC3)n2)cc1 ZINC000009573260 204315832 /nfs/dbraw/zinc/31/58/32/204315832.db2.gz DAVYYYGWHZJLJO-UHFFFAOYSA-N 1 1 395.507 3.376 40 0 GGABMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000036394823 204319244 /nfs/dbraw/zinc/31/92/44/204319244.db2.gz YSMFMHQSEQSNII-QGZVFWFLSA-N 1 1 397.494 3.104 40 0 GGABMO C[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182691 204377879 /nfs/dbraw/zinc/37/78/79/204377879.db2.gz FBCKMAABBGCLJQ-FHLIZLRMSA-N 1 1 388.512 3.119 40 0 GGABMO COc1ccccc1CNC(=O)C[NH+]1CCC(c2ccc(OC)c(OC)c2)CC1 ZINC000012113969 204372077 /nfs/dbraw/zinc/37/20/77/204372077.db2.gz TVSKNTDUZNROAK-UHFFFAOYSA-N 1 1 398.503 3.208 40 0 GGABMO CCOc1ccccc1NC(=O)C[NH+]1CCC(n2cnc3cccnc32)CC1 ZINC000012114645 204372154 /nfs/dbraw/zinc/37/21/54/204372154.db2.gz OIISYPPEUDECND-UHFFFAOYSA-N 1 1 379.464 3.106 40 0 GGABMO O=C(C[N@@H+]1CCC[C@H](c2ncncc2-c2ccncc2)C1)NCc1cccs1 ZINC000012117167 204372523 /nfs/dbraw/zinc/37/25/23/204372523.db2.gz NGHLTUUSEKUKHB-KRWDZBQOSA-N 1 1 393.516 3.096 40 0 GGABMO O=C(C[N@H+]1CCC[C@H](c2ncncc2-c2ccncc2)C1)NCc1cccs1 ZINC000012117167 204372527 /nfs/dbraw/zinc/37/25/27/204372527.db2.gz NGHLTUUSEKUKHB-KRWDZBQOSA-N 1 1 393.516 3.096 40 0 GGABMO Cc1nccn1-c1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](C)O)cc1 ZINC000012116725 204372568 /nfs/dbraw/zinc/37/25/68/204372568.db2.gz WLOCZLTUWMNWSP-MRXNPFEDSA-N 1 1 379.460 3.292 40 0 GGABMO COc1ccc(-c2n[nH]cc2C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](C)O)cc1 ZINC000012116730 204372951 /nfs/dbraw/zinc/37/29/51/204372951.db2.gz QMSYSSJPABCLID-HNNXBMFYSA-N 1 1 395.459 3.197 40 0 GGABMO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccnc4ccccc24)CC3)C1 ZINC000012117879 204373293 /nfs/dbraw/zinc/37/32/93/204373293.db2.gz LVLCQLTVAWKZIE-INIZCTEOSA-N 1 1 389.503 3.113 40 0 GGABMO Cc1ccnc(-n2cccc2C[NH+]2CCC3(CC2)NC(=O)c2ccccc2O3)c1 ZINC000012117986 204373350 /nfs/dbraw/zinc/37/33/50/204373350.db2.gz AYANNCSRPVLKQM-UHFFFAOYSA-N 1 1 388.471 3.295 40 0 GGABMO COc1ccc2nc(C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H](C)O)ccc2c1 ZINC000012147963 204377631 /nfs/dbraw/zinc/37/76/31/204377631.db2.gz IUMBTLNHMGPDOI-HNNXBMFYSA-N 1 1 380.444 3.355 40 0 GGABMO O=C1CC[N@@H+](Cc2ccccc2)CCN1CCc1noc(C2CCCCC2)n1 ZINC000012327914 204399698 /nfs/dbraw/zinc/39/96/98/204399698.db2.gz MJLUKRPGAGSTFM-UHFFFAOYSA-N 1 1 382.508 3.394 40 0 GGABMO C[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(Oc2ncccn2)c1 ZINC000012185841 204379122 /nfs/dbraw/zinc/37/91/22/204379122.db2.gz UBMWRXGGIMOAGW-INIZCTEOSA-N 1 1 393.443 3.381 40 0 GGABMO CC(=O)NC1(c2ccccc2F)CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000012188372 204379463 /nfs/dbraw/zinc/37/94/63/204379463.db2.gz KCEXVSTWEVQXEV-FQEVSTJZSA-N 1 1 392.421 3.265 40 0 GGABMO Cc1c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](C)O)cnn1Cc1ccccc1 ZINC000012185760 204379524 /nfs/dbraw/zinc/37/95/24/204379524.db2.gz YESGWKYSGFAZLI-KRWDZBQOSA-N 1 1 393.487 3.352 40 0 GGABMO CC[C@@H]1c2ccc(C)n2CC[N@H+]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000012188635 204379742 /nfs/dbraw/zinc/37/97/42/204379742.db2.gz BCQKVUORLHTAHL-OAQYLSRUSA-N 1 1 397.519 3.001 40 0 GGABMO CC[C@@H]1c2ccc(C)n2CC[N@@H+]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000012188635 204379746 /nfs/dbraw/zinc/37/97/46/204379746.db2.gz BCQKVUORLHTAHL-OAQYLSRUSA-N 1 1 397.519 3.001 40 0 GGABMO CCn1cc(C[N@@H+]2CCc3c([nH]c4cc(-c5ccoc5C)nn4c3=O)C2)c(C)n1 ZINC000012185464 204379853 /nfs/dbraw/zinc/37/98/53/204379853.db2.gz GTCGZQRIZQWUFC-UHFFFAOYSA-N 1 1 392.463 3.086 40 0 GGABMO CCn1cc(C[N@H+]2CCc3c([nH]c4cc(-c5ccoc5C)nn4c3=O)C2)c(C)n1 ZINC000012185464 204379857 /nfs/dbraw/zinc/37/98/57/204379857.db2.gz GTCGZQRIZQWUFC-UHFFFAOYSA-N 1 1 392.463 3.086 40 0 GGABMO COc1ccc(C[N@@H+](Cc2cc3c(cc2Cl)OCO3)C[C@@H](C)O)cc1OC ZINC000012185506 204380128 /nfs/dbraw/zinc/38/01/28/204380128.db2.gz JNOLJHBRVQDDIU-CYBMUJFWSA-N 1 1 393.867 3.469 40 0 GGABMO COc1ccc(C[N@H+](Cc2cc3c(cc2Cl)OCO3)C[C@@H](C)O)cc1OC ZINC000012185506 204380131 /nfs/dbraw/zinc/38/01/31/204380131.db2.gz JNOLJHBRVQDDIU-CYBMUJFWSA-N 1 1 393.867 3.469 40 0 GGABMO COc1ccc(C[N@H+](Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@@H]2CCCO2)cc1 ZINC000012187548 204380320 /nfs/dbraw/zinc/38/03/20/204380320.db2.gz STQWYQPCCSAHQH-FQEVSTJZSA-N 1 1 395.503 3.067 40 0 GGABMO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](CC(=O)NC3CCCCC3)CC1)O2 ZINC000012241790 204387090 /nfs/dbraw/zinc/38/70/90/204387090.db2.gz DIBRPVOQPAVNCZ-FQEVSTJZSA-N 1 1 386.536 3.403 40 0 GGABMO O=C(NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1c(F)cccc1Cl ZINC000012290956 204388831 /nfs/dbraw/zinc/38/88/31/204388831.db2.gz KRFRMNUXVGQLJE-UHFFFAOYSA-N 1 1 394.849 3.332 40 0 GGABMO Cc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4ncc5c(n4)CC[N@H+](C)C5)C3)cc21 ZINC000019236668 204633573 /nfs/dbraw/zinc/63/35/73/204633573.db2.gz FOTGTMJAHSQHFL-MRXNPFEDSA-N 1 1 389.503 3.274 40 0 GGABMO Cc1nn(C)c(C)c1NC(=O)CC[N@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000036752060 205021091 /nfs/dbraw/zinc/02/10/91/205021091.db2.gz PVDRURWCKWAFKE-KRWDZBQOSA-N 1 1 394.523 3.197 40 0 GGABMO Cn1c2ccc(C[N@H+]3CCC[C@@H](Cc4nc5ccccc5[nH]4)C3)cc2n(C)c1=O ZINC000036752835 205022048 /nfs/dbraw/zinc/02/20/48/205022048.db2.gz UNWWRFOPJGATTD-INIZCTEOSA-N 1 1 389.503 3.208 40 0 GGABMO CC(=O)Nc1cc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccc1C ZINC000067810173 205025128 /nfs/dbraw/zinc/02/51/28/205025128.db2.gz GDPMMJWAKCDRND-QGZVFWFLSA-N 1 1 395.503 3.104 40 0 GGABMO CC(=O)Nc1cc(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccc1C ZINC000067810173 205025132 /nfs/dbraw/zinc/02/51/32/205025132.db2.gz GDPMMJWAKCDRND-QGZVFWFLSA-N 1 1 395.503 3.104 40 0 GGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2cccc(N3CCCC3=O)c2)cc1 ZINC000044853333 205088488 /nfs/dbraw/zinc/08/84/88/205088488.db2.gz ZODQYNRBFNWIGQ-UHFFFAOYSA-N 1 1 388.471 3.297 40 0 GGABMO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047227485 205109725 /nfs/dbraw/zinc/10/97/25/205109725.db2.gz AJMFLGMIMFSSPY-MRXNPFEDSA-N 1 1 388.895 3.256 40 0 GGABMO Cc1ccc(OCCCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000047227452 205109833 /nfs/dbraw/zinc/10/98/33/205109833.db2.gz KNKTXWLSGQPLFC-UHFFFAOYSA-N 1 1 382.504 3.303 40 0 GGABMO Cc1cccc(CSCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000047276302 205110313 /nfs/dbraw/zinc/11/03/13/205110313.db2.gz FCJKJFZHVXSCDS-UHFFFAOYSA-N 1 1 384.545 3.377 40 0 GGABMO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+]1CCCC[C@H]1C ZINC000057585411 205159705 /nfs/dbraw/zinc/15/97/05/205159705.db2.gz JGXHHZBWMJLKSE-OAHLLOKOSA-N 1 1 378.542 3.071 40 0 GGABMO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CCCC[C@H]1C ZINC000057585411 205159709 /nfs/dbraw/zinc/15/97/09/205159709.db2.gz JGXHHZBWMJLKSE-OAHLLOKOSA-N 1 1 378.542 3.071 40 0 GGABMO CCOC(=O)Nc1cccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000071854255 205299136 /nfs/dbraw/zinc/29/91/36/205299136.db2.gz LZPKGWQTIPBOQN-UHFFFAOYSA-N 1 1 389.496 3.020 40 0 GGABMO Cn1cc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cn1 ZINC000072330423 205326056 /nfs/dbraw/zinc/32/60/56/205326056.db2.gz WPJVPLNXOSYJGA-XLIONFOSSA-N 1 1 395.532 3.260 40 0 GGABMO O=S(=O)(c1ccccc1)N1C[C@@H]2CCCC[N@@H+](Cc3cccs3)[C@@H]2C1 ZINC000072330677 205326629 /nfs/dbraw/zinc/32/66/29/205326629.db2.gz BGPFEUJISSUCKB-QFBILLFUSA-N 1 1 376.547 3.423 40 0 GGABMO CC[N@H+]1CCC[C@@H]1CNc1c2c(nc3cc(C4CCOCC4)nn31)CCCC2 ZINC000072336898 205328407 /nfs/dbraw/zinc/32/84/07/205328407.db2.gz BHJJBNQONGTISX-QGZVFWFLSA-N 1 1 383.540 3.398 40 0 GGABMO COCCOc1ccc(C[N@@H+]2C[C@H]3ON=C(c4cccc(C)c4)[C@@H]3C2)cc1OC ZINC000072343250 205329164 /nfs/dbraw/zinc/32/91/64/205329164.db2.gz HGGYUNVZPIKDOY-DENIHFKCSA-N 1 1 396.487 3.264 40 0 GGABMO COCCOc1ccc(C[N@H+]2C[C@H]3ON=C(c4cccc(C)c4)[C@@H]3C2)cc1OC ZINC000072343250 205329166 /nfs/dbraw/zinc/32/91/66/205329166.db2.gz HGGYUNVZPIKDOY-DENIHFKCSA-N 1 1 396.487 3.264 40 0 GGABMO CCc1onc(C)c1-c1nc(N2CCC[N@@H+](C)CC2)ncc1-c1ccncc1 ZINC000072342940 205329301 /nfs/dbraw/zinc/32/93/01/205329301.db2.gz XRPVEQVKIMEQCE-UHFFFAOYSA-N 1 1 378.480 3.206 40 0 GGABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072344803 205329593 /nfs/dbraw/zinc/32/95/93/205329593.db2.gz ABJDRPXFCKXJIG-LJQANCHMSA-N 1 1 389.503 3.457 40 0 GGABMO O=C(C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(CO)c3)n2)C1)N1CCCC1 ZINC000072348774 205331425 /nfs/dbraw/zinc/33/14/25/205331425.db2.gz ORJNUFMQMFZPIS-HXUWFJFHSA-N 1 1 379.504 3.043 40 0 GGABMO O=C(COc1ccccc1)N1CC[N@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355118 205331994 /nfs/dbraw/zinc/33/19/94/205331994.db2.gz GQZUXEPXWANLJB-HXUWFJFHSA-N 1 1 393.531 3.406 40 0 GGABMO O=C(NCCO)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000072354989 205332218 /nfs/dbraw/zinc/33/22/18/205332218.db2.gz UVSJYEHBTGACGL-HNNXBMFYSA-N 1 1 381.501 3.008 40 0 GGABMO COc1ccccc1Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCCC2)n1 ZINC000072357650 205332301 /nfs/dbraw/zinc/33/23/01/205332301.db2.gz IPUWKNHKAKTDGV-OAQYLSRUSA-N 1 1 379.504 3.440 40 0 GGABMO COc1ccccc1Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCCC2)n1 ZINC000072357650 205332306 /nfs/dbraw/zinc/33/23/06/205332306.db2.gz IPUWKNHKAKTDGV-OAQYLSRUSA-N 1 1 379.504 3.440 40 0 GGABMO Cc1nc(CC(=O)N2CC[N@H+](C3CCCC3)C[C@H](Cc3ccccn3)C2)cs1 ZINC000072355203 205332730 /nfs/dbraw/zinc/33/27/30/205332730.db2.gz QAGLZPTTXRYRKN-SFHVURJKSA-N 1 1 398.576 3.335 40 0 GGABMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1)N1CCOCC1 ZINC000072357636 205333014 /nfs/dbraw/zinc/33/30/14/205333014.db2.gz QZDTZXZUGRVGTD-OAQYLSRUSA-N 1 1 399.922 3.322 40 0 GGABMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1)N1CCOCC1 ZINC000072357636 205333019 /nfs/dbraw/zinc/33/30/19/205333019.db2.gz QZDTZXZUGRVGTD-OAQYLSRUSA-N 1 1 399.922 3.322 40 0 GGABMO COC[C@H]1CN(C(=O)CCc2ccccc2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354464 205333032 /nfs/dbraw/zinc/33/30/32/205333032.db2.gz CDNGPGSYOBGRDD-HSZRJFAPSA-N 1 1 380.532 3.269 40 0 GGABMO Nc1cc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CCOCc3ccccc3)C2)ccn1 ZINC000072356498 205333080 /nfs/dbraw/zinc/33/30/80/205333080.db2.gz RKMIJEOSEMNRLY-LJQANCHMSA-N 1 1 377.492 3.450 40 0 GGABMO C[N@H+]1CCN(C(=O)CCc2ccc(F)cc2)C[C@H](COCc2ccccc2)C1 ZINC000072354539 205333260 /nfs/dbraw/zinc/33/32/60/205333260.db2.gz QUJILQZCUCUAKV-OAQYLSRUSA-N 1 1 384.495 3.365 40 0 GGABMO COc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCCC2)n1 ZINC000072357649 205333334 /nfs/dbraw/zinc/33/33/34/205333334.db2.gz IPUWKNHKAKTDGV-NRFANRHFSA-N 1 1 379.504 3.440 40 0 GGABMO COc1ccccc1Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCCC2)n1 ZINC000072357649 205333338 /nfs/dbraw/zinc/33/33/38/205333338.db2.gz IPUWKNHKAKTDGV-NRFANRHFSA-N 1 1 379.504 3.440 40 0 GGABMO NC(=O)c1ccc(Oc2nccnc2[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)cc1 ZINC000072361892 205334209 /nfs/dbraw/zinc/33/42/09/205334209.db2.gz GTDFDIBVGBKHOG-QGZVFWFLSA-N 1 1 389.459 3.142 40 0 GGABMO COc1ccccc1Oc1nccnc1C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000072361882 205334629 /nfs/dbraw/zinc/33/46/29/205334629.db2.gz CFCFJXLAEBHKOY-UHFFFAOYSA-N 1 1 396.491 3.079 40 0 GGABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358883 205334872 /nfs/dbraw/zinc/33/48/72/205334872.db2.gz SGSATZOSSRELIQ-HNNXBMFYSA-N 1 1 392.425 3.430 40 0 GGABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358884 205334902 /nfs/dbraw/zinc/33/49/02/205334902.db2.gz SGSATZOSSRELIQ-OAHLLOKOSA-N 1 1 392.425 3.430 40 0 GGABMO Cn1nccc1C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000072371586 205335177 /nfs/dbraw/zinc/33/51/77/205335177.db2.gz UNQAHLCDCJGBQP-OAHLLOKOSA-N 1 1 385.899 3.408 40 0 GGABMO Cn1nccc1C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371586 205335179 /nfs/dbraw/zinc/33/51/79/205335179.db2.gz UNQAHLCDCJGBQP-OAHLLOKOSA-N 1 1 385.899 3.408 40 0 GGABMO Cn1nccc1C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371586 205335184 /nfs/dbraw/zinc/33/51/84/205335184.db2.gz UNQAHLCDCJGBQP-OAHLLOKOSA-N 1 1 385.899 3.408 40 0 GGABMO CC(C)c1ccc(OCCc2cc([C@H]3CC[N@@H+](CC(=O)N4CCC4)C3)[nH]n2)cc1 ZINC000072371750 205335870 /nfs/dbraw/zinc/33/58/70/205335870.db2.gz XAILCRFCUULJAK-IBGZPJMESA-N 1 1 396.535 3.176 40 0 GGABMO CC(C)c1ccc(OCCc2cc([C@H]3CC[N@H+](CC(=O)N4CCC4)C3)n[nH]2)cc1 ZINC000072371750 205335876 /nfs/dbraw/zinc/33/58/76/205335876.db2.gz XAILCRFCUULJAK-IBGZPJMESA-N 1 1 396.535 3.176 40 0 GGABMO CC(C)c1ccc(OCCc2cc([C@H]3CC[N@@H+](CC(=O)N4CCC4)C3)n[nH]2)cc1 ZINC000072371750 205335880 /nfs/dbraw/zinc/33/58/80/205335880.db2.gz XAILCRFCUULJAK-IBGZPJMESA-N 1 1 396.535 3.176 40 0 GGABMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)CC1 ZINC000072363013 205336207 /nfs/dbraw/zinc/33/62/07/205336207.db2.gz MIFHZRZSNLMBTO-SFHVURJKSA-N 1 1 380.492 3.459 40 0 GGABMO COc1ccc(Oc2nccnc2C2CC[NH+](Cc3cncn3C)CC2)cc1 ZINC000072363156 205336635 /nfs/dbraw/zinc/33/66/35/205336635.db2.gz LTVGWJVVJLYPDN-UHFFFAOYSA-N 1 1 379.464 3.391 40 0 GGABMO C[N@H+]1CCn2c(nnc2[C@H]2CCCCN2C(=O)c2cc3ccc(Cl)cc3[nH]2)C1 ZINC000072373993 205337190 /nfs/dbraw/zinc/33/71/90/205337190.db2.gz ZZTDXGQQHLYGIT-QGZVFWFLSA-N 1 1 398.898 3.226 40 0 GGABMO CCN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(N)ncc1-c1cccc(OC)c1 ZINC000072376828 205337487 /nfs/dbraw/zinc/33/74/87/205337487.db2.gz SXCKGXDNGIFNPI-IBGZPJMESA-N 1 1 397.523 3.130 40 0 GGABMO CCN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1nc(N)ncc1-c1cccc(OC)c1 ZINC000072376828 205337489 /nfs/dbraw/zinc/33/74/89/205337489.db2.gz SXCKGXDNGIFNPI-IBGZPJMESA-N 1 1 397.523 3.130 40 0 GGABMO CNc1nc([C@@H]2CCCC[N@H+]2CCc2ccccc2)nc2c1CCN(C(C)=O)C2 ZINC000072376540 205337499 /nfs/dbraw/zinc/33/74/99/205337499.db2.gz RGJGJUOAMNUARI-NRFANRHFSA-N 1 1 393.535 3.193 40 0 GGABMO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@H+](Cc4cnn(C)c4)C3)n2)n1 ZINC000072376054 205337653 /nfs/dbraw/zinc/33/76/53/205337653.db2.gz BHBUENFLOBPYMY-SFHVURJKSA-N 1 1 377.496 3.345 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377444 205339483 /nfs/dbraw/zinc/33/94/83/205339483.db2.gz FLJMVZSNFODRNN-KRWDZBQOSA-N 1 1 376.464 3.398 40 0 GGABMO COc1ccc(CCC(=O)N2CCC[C@H]2c2cncc(-n3cc[nH+]c3C)n2)cc1 ZINC000072378486 205339703 /nfs/dbraw/zinc/33/97/03/205339703.db2.gz UJJKVPABFBQQTJ-FQEVSTJZSA-N 1 1 391.475 3.276 40 0 GGABMO COc1ccc(Oc2cc(C)nc([C@H]3CC[N@H+](Cc4ccnn4C)C3)n2)cc1 ZINC000072384232 205339761 /nfs/dbraw/zinc/33/97/61/205339761.db2.gz YIDJGJWIACWHNL-INIZCTEOSA-N 1 1 379.464 3.309 40 0 GGABMO COc1ccc(Oc2cc(C)nc([C@H]3CC[N@@H+](Cc4ccnn4C)C3)n2)cc1 ZINC000072384232 205339765 /nfs/dbraw/zinc/33/97/65/205339765.db2.gz YIDJGJWIACWHNL-INIZCTEOSA-N 1 1 379.464 3.309 40 0 GGABMO CN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@H+](Cc3cccc4ncccc34)C[C@@H]12 ZINC000072395828 205343175 /nfs/dbraw/zinc/34/31/75/205343175.db2.gz DWJUAWAYMNFNPK-QPPBQGQZSA-N 1 1 385.467 3.394 40 0 GGABMO Cc1ccc(C[N@H+]2CCC[C@]3(C(=O)N(C)C)CN(c4ccccn4)C[C@@H]3C2)s1 ZINC000096056127 205519725 /nfs/dbraw/zinc/51/97/25/205519725.db2.gz YWFPLZZEPXPLRV-AVRDEDQJSA-N 1 1 398.576 3.258 40 0 GGABMO Cc1cncc(C(=O)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC000096221019 205542038 /nfs/dbraw/zinc/54/20/38/205542038.db2.gz GHMBFACAEKCHRM-OAQYLSRUSA-N 1 1 379.504 3.286 40 0 GGABMO Cc1nc(C[NH+]2CCC3(C[C@H](NC(=O)c4cccs4)CO3)CC2)cs1 ZINC000096221231 205542736 /nfs/dbraw/zinc/54/27/36/205542736.db2.gz QOEPNHOOLCNMCW-AWEZNQCLSA-N 1 1 377.535 3.067 40 0 GGABMO CC[NH+]1CCN(C(=O)c2ccn(COc3ccc(-c4ccccc4)cc3)n2)CC1 ZINC000027971994 206022866 /nfs/dbraw/zinc/02/28/66/206022866.db2.gz QHCKCMFZEOUJLS-UHFFFAOYSA-N 1 1 390.487 3.364 40 0 GGABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COc1ccc(OC)cc1 ZINC000224603431 206023177 /nfs/dbraw/zinc/02/31/77/206023177.db2.gz URNQHCDOKCMLCJ-UHFFFAOYSA-N 1 1 398.503 3.451 40 0 GGABMO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224563885 206024224 /nfs/dbraw/zinc/02/42/24/206024224.db2.gz JAGFFWUGBPRFGA-JOCHJYFZSA-N 1 1 398.503 3.001 40 0 GGABMO O=C(COc1cccc2c1CCCC2)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224752869 206027341 /nfs/dbraw/zinc/02/73/41/206027341.db2.gz GAZHEWZAIRNMJG-UHFFFAOYSA-N 1 1 394.515 3.093 40 0 GGABMO CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224741919 206028111 /nfs/dbraw/zinc/02/81/11/206028111.db2.gz VCLJWVJHJVWIFE-QFIPXVFZSA-N 1 1 382.504 3.301 40 0 GGABMO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)c(C)c1C ZINC000224894353 206031311 /nfs/dbraw/zinc/03/13/11/206031311.db2.gz WXKOLWXTPRXECD-UHFFFAOYSA-N 1 1 385.489 3.285 40 0 GGABMO CC1(C)COc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2OC1 ZINC000225361460 206043980 /nfs/dbraw/zinc/04/39/80/206043980.db2.gz JDLUVIRXHOQLCU-UHFFFAOYSA-N 1 1 380.488 3.442 40 0 GGABMO CC[NH+](CC)Cc1nc(C2(O)CCN(C(=O)c3ccccc3F)CC2)cs1 ZINC000225464187 206048382 /nfs/dbraw/zinc/04/83/82/206048382.db2.gz XGSGBQBRHDEGOH-UHFFFAOYSA-N 1 1 391.512 3.248 40 0 biogenic,in-vitro GGABMO COC(=O)c1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000225457939 206048558 /nfs/dbraw/zinc/04/85/58/206048558.db2.gz FQJWWAUNQOVAOD-UHFFFAOYSA-N 1 1 380.473 3.454 40 0 GGABMO COC(=O)c1cccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2C)c1 ZINC000225450650 206050273 /nfs/dbraw/zinc/05/02/73/206050273.db2.gz DOXKHFOCAXYGMV-UHFFFAOYSA-N 1 1 380.473 3.454 40 0 GGABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000225493315 206052173 /nfs/dbraw/zinc/05/21/73/206052173.db2.gz RADWDJJKSOMTKT-KRWDZBQOSA-N 1 1 395.425 3.492 40 0 biogenic,in-vitro GGABMO S=C(NCCC[NH+]1CCOCC1)Nc1ccc(Br)c(Cl)c1 ZINC000225585598 206059705 /nfs/dbraw/zinc/05/97/05/206059705.db2.gz BEEFPPIQMQSTEH-UHFFFAOYSA-N 1 1 392.750 3.111 40 0 GGABMO NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225585051 206059754 /nfs/dbraw/zinc/05/97/54/206059754.db2.gz NNINNWZCIFRHBI-UHFFFAOYSA-N 1 1 389.858 3.429 40 0 GGABMO COc1ccc(OCCNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000029450812 206061755 /nfs/dbraw/zinc/06/17/55/206061755.db2.gz ZWTVZWOOTOFUOT-HDICACEKSA-N 1 1 398.503 3.113 40 0 GGABMO COc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000029450812 206061762 /nfs/dbraw/zinc/06/17/62/206061762.db2.gz ZWTVZWOOTOFUOT-HDICACEKSA-N 1 1 398.503 3.113 40 0 GGABMO CCCO[C@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000225672733 206066408 /nfs/dbraw/zinc/06/64/08/206066408.db2.gz AKPLKRSAFCDMQG-QFIPXVFZSA-N 1 1 390.524 3.322 40 0 GGABMO Cc1cc(C(F)(F)F)nn1CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000032502434 206089936 /nfs/dbraw/zinc/08/99/36/206089936.db2.gz XNIAAMJOGAXGSR-KRWDZBQOSA-N 1 1 394.441 3.381 40 0 GGABMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COc2ccc3ccc(=O)oc3c2)CC1 ZINC000031640269 206087649 /nfs/dbraw/zinc/08/76/49/206087649.db2.gz MCJXJNHZMOSWNP-QGZVFWFLSA-N 1 1 392.455 3.077 40 0 GGABMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Cc3c[nH]c4ccccc34)c2)CCO1 ZINC000058440465 206101896 /nfs/dbraw/zinc/10/18/96/206101896.db2.gz NYBBTFNNCINDBC-QGZVFWFLSA-N 1 1 377.488 3.248 40 0 GGABMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Cc3c[nH]c4ccccc34)c2)CCO1 ZINC000058440465 206101898 /nfs/dbraw/zinc/10/18/98/206101898.db2.gz NYBBTFNNCINDBC-QGZVFWFLSA-N 1 1 377.488 3.248 40 0 GGABMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000060161970 206102654 /nfs/dbraw/zinc/10/26/54/206102654.db2.gz RUCGBJNJOYXTBO-QGZVFWFLSA-N 1 1 381.476 3.041 40 0 GGABMO Cc1cccc(OCCNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000032824670 206092005 /nfs/dbraw/zinc/09/20/05/206092005.db2.gz XUDSOUXDJCDOPU-KDURUIRLSA-N 1 1 382.504 3.413 40 0 GGABMO Cc1cccc(OCCNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000032824670 206092012 /nfs/dbraw/zinc/09/20/12/206092012.db2.gz XUDSOUXDJCDOPU-KDURUIRLSA-N 1 1 382.504 3.413 40 0 GGABMO COc1cccc(C[N@@H+]2CCOC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000096113162 206118423 /nfs/dbraw/zinc/11/84/23/206118423.db2.gz CKGJJAACHPPBLO-QGZVFWFLSA-N 1 1 382.382 3.389 40 0 biogenic,in-vitro GGABMO COc1cccc(C[N@H+]2CCOC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000096113162 206118427 /nfs/dbraw/zinc/11/84/27/206118427.db2.gz CKGJJAACHPPBLO-QGZVFWFLSA-N 1 1 382.382 3.389 40 0 biogenic,in-vitro GGABMO CC(=O)Nc1ccc(C[N@@H+]2CCN3C(=O)N(Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC000096269149 206121700 /nfs/dbraw/zinc/12/17/00/206121700.db2.gz YDEYUAHVMGEPKI-JOCHJYFZSA-N 1 1 392.503 3.075 40 0 biogenic,in-vitro GGABMO CC(=O)Nc1ccc(C[N@H+]2CCN3C(=O)N(Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC000096269149 206121702 /nfs/dbraw/zinc/12/17/02/206121702.db2.gz YDEYUAHVMGEPKI-JOCHJYFZSA-N 1 1 392.503 3.075 40 0 biogenic,in-vitro GGABMO FC(F)(F)c1cccnc1N1CCN(C2CC[NH+](Cc3ccoc3)CC2)CC1 ZINC000252496832 206140406 /nfs/dbraw/zinc/14/04/06/206140406.db2.gz PSQVFYHLXRTJFR-UHFFFAOYSA-N 1 1 394.441 3.480 40 0 GGABMO CC(C)[N@H+]1CCOC[C@@]2(CC[C@H](CNCc3cc(-c4ccccc4)on3)O2)C1 ZINC000248167646 206134608 /nfs/dbraw/zinc/13/46/08/206134608.db2.gz PGSNLVIQCOQFCR-IFMALSPDSA-N 1 1 385.508 3.090 40 0 GGABMO Cc1nc(COC[C@H]2CC[N@H+](C)C3(CN(Cc4nccs4)C3)C2)cs1 ZINC000248139037 206135678 /nfs/dbraw/zinc/13/56/78/206135678.db2.gz PREPXPYGWZCUID-HNNXBMFYSA-N 1 1 378.567 3.021 40 0 GGABMO c1ccc([C@@]23CN(Cc4cccnc4)C[C@@H]2C[N@@H+](C[C@H]2CCOC2)CC3)cc1 ZINC000247913153 206136666 /nfs/dbraw/zinc/13/66/66/206136666.db2.gz LYRWXWTWHFHLNQ-YFNKSVMNSA-N 1 1 377.532 3.194 40 0 GGABMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)cc(C(=O)N(C)C)n1 ZINC000257230179 206162092 /nfs/dbraw/zinc/16/20/92/206162092.db2.gz GBEPDYBYWZKSBL-KRWDZBQOSA-N 1 1 391.519 3.423 40 0 GGABMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@@]12CCCO2 ZINC000257209361 206159444 /nfs/dbraw/zinc/15/94/44/206159444.db2.gz BQBYQNOYBSTBMR-IRLDBZIGSA-N 1 1 397.475 3.082 40 0 GGABMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@@]12CCCO2 ZINC000257209361 206159446 /nfs/dbraw/zinc/15/94/46/206159446.db2.gz BQBYQNOYBSTBMR-IRLDBZIGSA-N 1 1 397.475 3.082 40 0 GGABMO COc1cccc2c1OC(C)(C)[C@H]1CC3(C[NH+](Cc4cnn(C)c4C)C3)CO[C@H]21 ZINC000257208550 206159854 /nfs/dbraw/zinc/15/98/54/206159854.db2.gz BMPQDONPYBYIDD-AZUAARDMSA-N 1 1 397.519 3.488 40 0 GGABMO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](OC)[C@@]3(CCCO3)C2)cc1 ZINC000257210563 206159864 /nfs/dbraw/zinc/15/98/64/206159864.db2.gz BVDVGFFYLYEMNJ-PZJWPPBQSA-N 1 1 376.497 3.074 40 0 GGABMO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@H](OC)[C@@]3(CCCO3)C2)cc1 ZINC000257210563 206159868 /nfs/dbraw/zinc/15/98/68/206159868.db2.gz BVDVGFFYLYEMNJ-PZJWPPBQSA-N 1 1 376.497 3.074 40 0 GGABMO CN(C)C(=O)c1cc(C[C@@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)ncn1 ZINC000257219656 206160522 /nfs/dbraw/zinc/16/05/22/206160522.db2.gz DHPGBPKDEBXGOE-INIZCTEOSA-N 1 1 377.492 3.114 40 0 GGABMO CN(C)C(=O)c1cc(C[C@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)ncn1 ZINC000257219657 206160893 /nfs/dbraw/zinc/16/08/93/206160893.db2.gz DHPGBPKDEBXGOE-MRXNPFEDSA-N 1 1 377.492 3.114 40 0 GGABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccccc3F)C2)nc(C)c1CC(=O)NC(C)C ZINC000257279305 206171231 /nfs/dbraw/zinc/17/12/31/206171231.db2.gz OFZWCBQGUNTDMQ-GOSISDBHSA-N 1 1 384.499 3.289 40 0 GGABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccccc3F)C2)nc(C)c1CC(=O)NC(C)C ZINC000257279306 206171599 /nfs/dbraw/zinc/17/15/99/206171599.db2.gz OFZWCBQGUNTDMQ-SFHVURJKSA-N 1 1 384.499 3.289 40 0 GGABMO Cc1nc2cc([C@@H]3CC[N@@H+](CC4CC4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257296159 206175593 /nfs/dbraw/zinc/17/55/93/206175593.db2.gz RBMDOCJZESVFLX-GOSISDBHSA-N 1 1 397.567 3.393 40 0 GGABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@H+](C1CCCCC1)CC2 ZINC000257319261 206178413 /nfs/dbraw/zinc/17/84/13/206178413.db2.gz VROQEDVLRNFQBA-DNVJHFABSA-N 1 1 383.536 3.119 40 0 GGABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)COc4ccc(C)cc4)C[C@@H]32)cc1 ZINC000257309142 206175751 /nfs/dbraw/zinc/17/57/51/206175751.db2.gz TZSQWGIYSWFYFC-DNVJHFABSA-N 1 1 394.515 3.329 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc1 ZINC000257304237 206176968 /nfs/dbraw/zinc/17/69/68/206176968.db2.gz SKSAYYNSBBJPNE-IBGZPJMESA-N 1 1 396.535 3.159 40 0 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399.545 3.099 40 0 GGABMO COc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4cccnc4)C2)OC3)cc1 ZINC000306129670 206199396 /nfs/dbraw/zinc/19/93/96/206199396.db2.gz IJFNPKFQJHITTA-JOCHJYFZSA-N 1 1 376.460 3.129 40 0 GGABMO Cc1ccc(C[N@H+]2CC[C@@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)s1 ZINC000306129959 206199615 /nfs/dbraw/zinc/19/96/15/206199615.db2.gz ISMDYVLTDUXQCX-OAQYLSRUSA-N 1 1 378.501 3.223 40 0 GGABMO c1cc(C[NH+]2CCN(c3nccn4c(-c5cccnc5)cnc34)CC2)cs1 ZINC000306128627 206199903 /nfs/dbraw/zinc/19/99/03/206199903.db2.gz HGIHWMQRLKWTRW-UHFFFAOYSA-N 1 1 376.489 3.175 40 0 GGABMO Fc1cccc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306128079 206199947 /nfs/dbraw/zinc/19/99/47/206199947.db2.gz GPOBOMGBLQRGEU-SFHVURJKSA-N 1 1 395.482 3.085 40 0 GGABMO C[N@H+]1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000306131932 206200440 /nfs/dbraw/zinc/20/04/40/206200440.db2.gz KTIMYCCIIMKXOQ-KRWDZBQOSA-N 1 1 390.487 3.178 40 0 GGABMO Cc1cccc(C[NH+]2CCN(c3nccn4c(-c5ccsc5)cnc34)CC2)n1 ZINC000306130796 206201728 /nfs/dbraw/zinc/20/17/28/206201728.db2.gz JPRSJTNZNRHURL-UHFFFAOYSA-N 1 1 390.516 3.483 40 0 GGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3nccs3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136296 206202370 /nfs/dbraw/zinc/20/23/70/206202370.db2.gz PPBBBUOZWTTXJD-UTKZUKDTSA-N 1 1 399.564 3.149 40 0 GGABMO COCCn1ccnc1[C@H]1C[N@H+](Cc2cccnc2OC)Cc2ccccc21 ZINC000306135004 206202816 /nfs/dbraw/zinc/20/28/16/206202816.db2.gz OEHSNLZNMLNYMD-FQEVSTJZSA-N 1 1 378.476 3.081 40 0 GGABMO COCCn1ccnc1[C@H]1C[N@@H+](Cc2cccnc2OC)Cc2ccccc21 ZINC000306135004 206202820 /nfs/dbraw/zinc/20/28/20/206202820.db2.gz OEHSNLZNMLNYMD-FQEVSTJZSA-N 1 1 378.476 3.081 40 0 GGABMO Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)s1 ZINC000306136728 206202837 /nfs/dbraw/zinc/20/28/37/206202837.db2.gz QBBAXJIIJFLMOK-WOJBJXKFSA-N 1 1 378.501 3.335 40 0 GGABMO Cc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[C@H](N4CCOCC4)C[C@H]23)no1 ZINC000306134127 206202932 /nfs/dbraw/zinc/20/29/32/206202932.db2.gz NEAZVQYXKWMKJJ-VABKMULXSA-N 1 1 381.520 3.380 40 0 GGABMO Cc1cc(CN2CC[C@]3(c4ccccc4)CC[C@H]([NH+]4CCOCC4)C[C@H]23)no1 ZINC000306134127 206202936 /nfs/dbraw/zinc/20/29/36/206202936.db2.gz NEAZVQYXKWMKJJ-VABKMULXSA-N 1 1 381.520 3.380 40 0 GGABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccco4)C[C@H]32)cc1 ZINC000306135356 206203726 /nfs/dbraw/zinc/20/37/26/206203726.db2.gz OONQSOFKAIBQKH-LEWJYISDSA-N 1 1 377.444 3.171 40 0 GGABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccco4)C[C@H]32)cc1 ZINC000306135356 206203731 /nfs/dbraw/zinc/20/37/31/206203731.db2.gz OONQSOFKAIBQKH-LEWJYISDSA-N 1 1 377.444 3.171 40 0 GGABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccco4)C[C@@H]32)cc1 ZINC000306135359 206203795 /nfs/dbraw/zinc/20/37/95/206203795.db2.gz OONQSOFKAIBQKH-SFTDATJTSA-N 1 1 377.444 3.171 40 0 GGABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccco4)C[C@@H]32)cc1 ZINC000306135359 206203799 /nfs/dbraw/zinc/20/37/99/206203799.db2.gz OONQSOFKAIBQKH-SFTDATJTSA-N 1 1 377.444 3.171 40 0 GGABMO COc1ncccc1C[N@H+]1CC[C@@]2(C1)Cn1c(-c3ccc(C)cc3)cnc1CO2 ZINC000306135796 206203856 /nfs/dbraw/zinc/20/38/56/206203856.db2.gz PBEVHHRRERNZAZ-HSZRJFAPSA-N 1 1 390.487 3.437 40 0 GGABMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCc2sccc2C1 ZINC000010036709 221096692 /nfs/dbraw/zinc/09/66/92/221096692.db2.gz VELFYCIATACGDC-KRWDZBQOSA-N 1 1 384.501 3.241 40 0 GGABMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCc2sccc2C1 ZINC000010036709 221096696 /nfs/dbraw/zinc/09/66/96/221096696.db2.gz VELFYCIATACGDC-KRWDZBQOSA-N 1 1 384.501 3.241 40 0 GGABMO CCN1C[C@H](C[N@@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)Oc2ccccc21 ZINC000069876698 136165250 /nfs/dbraw/zinc/16/52/50/136165250.db2.gz WMYTWYREQLPFFY-KRWDZBQOSA-N 1 1 398.894 3.067 40 0 GGABMO C[C@H](CC[N@H+]1CCc2c(nc(N3C[C@H](C)O[C@@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000072335589 136168329 /nfs/dbraw/zinc/16/83/29/136168329.db2.gz OFDBNDGNKASTIQ-SQNIBIBYSA-N 1 1 396.535 3.348 40 0 GGABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(N2CCCCC2)cc1 ZINC000174106887 136199903 /nfs/dbraw/zinc/19/99/03/136199903.db2.gz KHUNEURIJLZVPW-UHFFFAOYSA-N 1 1 393.531 3.439 40 0 GGABMO Cc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCC(C(N)=O)CC4)cc3)cc2c1 ZINC000013563087 136201238 /nfs/dbraw/zinc/20/12/38/136201238.db2.gz XPFMACOMRBCRQI-UHFFFAOYSA-N 1 1 390.487 3.150 40 0 GGABMO COc1cc(CCC(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)on1 ZINC000409414822 533749531 /nfs/dbraw/zinc/74/95/31/533749531.db2.gz PDYCKIIQSXGZGL-ZRAXVTTISA-N 1 1 385.508 3.037 40 0 GGABMO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCN21 ZINC000253398802 560040501 /nfs/dbraw/zinc/04/05/01/560040501.db2.gz HOSHGJWZVZASBG-NRFANRHFSA-N 1 1 381.495 3.247 40 0 biogenic,in-vitro GGABMO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCN21 ZINC000253398802 560040503 /nfs/dbraw/zinc/04/05/03/560040503.db2.gz HOSHGJWZVZASBG-NRFANRHFSA-N 1 1 381.495 3.247 40 0 biogenic,in-vitro GGABMO Cc1ccc(C[N@@H+]2CCC[C@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)s1 ZINC000019217175 564303435 /nfs/dbraw/zinc/30/34/35/564303435.db2.gz AXMKIVYNUCOPQW-AWEZNQCLSA-N 1 1 375.519 3.291 40 0 GGABMO Cc1ccc(C[N@H+]2CCC[C@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)s1 ZINC000019217175 564303437 /nfs/dbraw/zinc/30/34/37/564303437.db2.gz AXMKIVYNUCOPQW-AWEZNQCLSA-N 1 1 375.519 3.291 40 0 GGABMO C[N@H+]1CCCC[C@@H]2[C@H]1CCN2S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000019712565 564304212 /nfs/dbraw/zinc/30/42/12/564304212.db2.gz LBLDDWJBWWOSJA-HZPDHXFCSA-N 1 1 377.337 3.382 40 0 GGABMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)/C=C/c2cccc(Br)c2)C[C@H](C)O1 ZINC000023181213 564323292 /nfs/dbraw/zinc/32/32/92/564323292.db2.gz JOOOJPWXZZWYQJ-WNJITKBNSA-N 1 1 395.341 3.466 40 0 GGABMO CCC[NH+]1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000025854879 564341573 /nfs/dbraw/zinc/34/15/73/564341573.db2.gz LMPPWPQZPXODIW-UHFFFAOYSA-N 1 1 380.901 3.036 40 0 GGABMO C[NH+]1CCN([C@@H](CNC(=O)c2ccc(Cl)cc2F)c2cccs2)CC1 ZINC000040039577 564425104 /nfs/dbraw/zinc/42/51/04/564425104.db2.gz XESDFGZKLBBTGA-INIZCTEOSA-N 1 1 381.904 3.259 40 0 GGABMO C[NH+]1CCN([C@H](CNC(=O)c2ccc(Cl)cc2F)c2cccs2)CC1 ZINC000040039578 564425363 /nfs/dbraw/zinc/42/53/63/564425363.db2.gz XESDFGZKLBBTGA-MRXNPFEDSA-N 1 1 381.904 3.259 40 0 GGABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Cl)cc2Cl)cc1OC ZINC000072227106 564861972 /nfs/dbraw/zinc/86/19/72/564861972.db2.gz QGAUYIOHFBRJHW-IAGOWNOFSA-N 1 1 381.259 3.421 40 0 GGABMO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Cl)cc2Cl)cc1OC ZINC000072227104 564862248 /nfs/dbraw/zinc/86/22/48/564862248.db2.gz QGAUYIOHFBRJHW-DLBZAZTESA-N 1 1 381.259 3.421 40 0 GGABMO CCOC[C@]1([NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218554799 565899625 /nfs/dbraw/zinc/89/96/25/565899625.db2.gz BJWBHRQGHBRVSJ-FHWLQOOXSA-N 1 1 379.909 3.322 40 0 GGABMO CCOC[C@@]1([NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218554571 565899791 /nfs/dbraw/zinc/89/97/91/565899791.db2.gz BJWBHRQGHBRVSJ-CEXWTWQISA-N 1 1 379.909 3.322 40 0 GGABMO COC[C@]1([NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218624423 565899803 /nfs/dbraw/zinc/89/98/03/565899803.db2.gz DBJSAMHFVZSXHL-ULQDDVLXSA-N 1 1 386.300 3.277 40 0 GGABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000242495514 565983920 /nfs/dbraw/zinc/98/39/20/565983920.db2.gz GGYIXJADWVAUAQ-QRVBRYPASA-N 1 1 379.909 3.322 40 0 GGABMO COC[C@]1([NH3+])[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242463446 565983930 /nfs/dbraw/zinc/98/39/30/565983930.db2.gz DBJSAMHFVZSXHL-BBWFWOEESA-N 1 1 386.300 3.277 40 0 GGABMO COC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000242701528 565985139 /nfs/dbraw/zinc/98/51/39/565985139.db2.gz WGLSPHQPRTYZED-ZACQAIPSSA-N 1 1 386.300 3.277 40 0 GGABMO Cc1nc2ccc(Cl)cc2cc1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000019718655 570209960 /nfs/dbraw/zinc/20/99/60/570209960.db2.gz RNEZDBWZUXSLGZ-IBGZPJMESA-N 1 1 375.900 3.283 40 0 GGABMO O=C(c1ccno1)N1CC[C@]2(c3ccccc3)C[N@@H+](Cc3ccco3)C[C@@H]2C1 ZINC000096083313 570209863 /nfs/dbraw/zinc/20/98/63/570209863.db2.gz DKQYEDBHPDQKAK-XMSQKQJNSA-N 1 1 377.444 3.184 40 0 GGABMO O=C(c1ccno1)N1CC[C@@]2(c3ccccc3)C[N@@H+](Cc3ccco3)C[C@H]2C1 ZINC000096083310 570210015 /nfs/dbraw/zinc/21/00/15/570210015.db2.gz DKQYEDBHPDQKAK-AVRDEDQJSA-N 1 1 377.444 3.184 40 0 GGABMO Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@H](CNc4ncccc4F)CO3)C2)s1 ZINC000096078454 570210045 /nfs/dbraw/zinc/21/00/45/570210045.db2.gz SXLKXNLKTONBJP-UZLBHIALSA-N 1 1 391.512 3.310 40 0 GGABMO CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c1C ZINC000019719752 570210820 /nfs/dbraw/zinc/21/08/20/570210820.db2.gz CEWVPUSGXLWUEX-QGZVFWFLSA-N 1 1 394.523 3.289 40 0 GGABMO CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c1C ZINC000019719752 570210824 /nfs/dbraw/zinc/21/08/24/570210824.db2.gz CEWVPUSGXLWUEX-QGZVFWFLSA-N 1 1 394.523 3.289 40 0 GGABMO Nc1ncnc2nc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)cc(C(F)(F)F)c12 ZINC000019743223 570212888 /nfs/dbraw/zinc/21/28/88/570212888.db2.gz MJQXLVZUDSBKIK-ZDUSSCGKSA-N 1 1 388.397 3.400 40 0 GGABMO Cc1cc2ncc(C[NH+](C)C)c([C@@H]3CCCN3C(=O)c3ccc(F)cc3)n2n1 ZINC000019743670 570213209 /nfs/dbraw/zinc/21/32/09/570213209.db2.gz FLDANPANGSKJQH-SFHVURJKSA-N 1 1 381.455 3.216 40 0 GGABMO Cc1c(C[N@@H+]2CCC[C@@H](N(C)C(=O)c3nccc4ccccc43)CC2)cnn1C ZINC000019749658 570215080 /nfs/dbraw/zinc/21/50/80/570215080.db2.gz KJQLUXHITKPRRZ-HXUWFJFHSA-N 1 1 391.519 3.403 40 0 GGABMO CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1C[N@@H+](CCc1ccccc1)CC2 ZINC000019752349 570215826 /nfs/dbraw/zinc/21/58/26/570215826.db2.gz MCAFZJLLWRAROC-NRFANRHFSA-N 1 1 393.535 3.193 40 0 GGABMO Cc1nc(NC2CCCC2)cc(CC2CCN(C(=O)c3ccc(N)nc3)CC2)[nH+]1 ZINC000019758701 570216409 /nfs/dbraw/zinc/21/64/09/570216409.db2.gz QRHDTBZDRORUHR-UHFFFAOYSA-N 1 1 394.523 3.212 40 0 GGABMO COCCNC(=O)c1cc([C@@H]2C[N@H+](CC(C)(C)C)CCO2)nc2ccccc21 ZINC000019759695 570216869 /nfs/dbraw/zinc/21/68/69/570216869.db2.gz GIQAAVVLIKGENF-FQEVSTJZSA-N 1 1 385.508 3.030 40 0 GGABMO COCCNC(=O)c1cc([C@@H]2C[N@@H+](CC(C)(C)C)CCO2)nc2ccccc21 ZINC000019759695 570216872 /nfs/dbraw/zinc/21/68/72/570216872.db2.gz GIQAAVVLIKGENF-FQEVSTJZSA-N 1 1 385.508 3.030 40 0 GGABMO Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCOc2ccccc2)C3)cn1 ZINC000096216337 570219445 /nfs/dbraw/zinc/21/94/45/570219445.db2.gz QGRJAFFYIXMHQG-QHCPKHFHSA-N 1 1 379.504 3.397 40 0 GGABMO C[C@@H](CNC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000096225720 570220412 /nfs/dbraw/zinc/22/04/12/570220412.db2.gz KEKRCKHLXHMTHX-MBSDFSHPSA-N 1 1 377.488 3.327 40 0 GGABMO C[C@@H](CNC(=O)C1=NO[C@@]2(CC[N@@H+](CCc3ccccc3)C2)C1)c1ccccc1 ZINC000096225768 570220609 /nfs/dbraw/zinc/22/06/09/570220609.db2.gz OKWHJJXAQGRZGH-CYFREDJKSA-N 1 1 391.515 3.370 40 0 GGABMO O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228789 570221195 /nfs/dbraw/zinc/22/11/95/570221195.db2.gz GMISYGZEJYTMBX-XMMPIXPASA-N 1 1 393.531 3.442 40 0 GGABMO Cc1ccc(C(=O)N2CCC3(CC2)COCC[N@H+](Cc2cccn2C)C3)cc1F ZINC000096239874 570222139 /nfs/dbraw/zinc/22/21/39/570222139.db2.gz QRUQBJZWBIALRE-UHFFFAOYSA-N 1 1 399.510 3.227 40 0 GGABMO O=C(c1ccc(Cl)cc1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096239937 570222183 /nfs/dbraw/zinc/22/21/83/570222183.db2.gz YXXVAMNKSVBOCY-UHFFFAOYSA-N 1 1 399.922 3.490 40 0 GGABMO Cc1nc(NCC2CC2)nc2c1COC[C@]21CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000096244494 570223743 /nfs/dbraw/zinc/22/37/43/570223743.db2.gz XBFOFSQQNPFHMV-JOCHJYFZSA-N 1 1 382.483 3.420 40 0 GGABMO CCCN1CCC([N@H+]2C[C@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@H]3C2)CC1 ZINC000096245462 570224116 /nfs/dbraw/zinc/22/41/16/570224116.db2.gz ZIMQSGLFKXCVKQ-KDURUIRLSA-N 1 1 389.971 3.147 40 0 GGABMO CCCN1CCC([N@@H+]2C[C@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@H]3C2)CC1 ZINC000096245462 570224120 /nfs/dbraw/zinc/22/41/20/570224120.db2.gz ZIMQSGLFKXCVKQ-KDURUIRLSA-N 1 1 389.971 3.147 40 0 GGABMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000806604 570224446 /nfs/dbraw/zinc/22/44/46/570224446.db2.gz MZIKDLUMHDHRPV-XUVXKRRUSA-N 1 1 379.460 3.207 40 0 GGABMO O=C(c1ccc2ccccc2n1)N1CCCn2cnc(C[NH+]3CCCC3)c2C1 ZINC000096259311 570225381 /nfs/dbraw/zinc/22/53/81/570225381.db2.gz QWRRFUKHJQGAIM-UHFFFAOYSA-N 1 1 375.476 3.073 40 0 GGABMO CC(C)NC(=O)c1cc2c(nc1N(C)C)CC[N@@H+](Cc1ccccc1F)CC2 ZINC000096260343 570225451 /nfs/dbraw/zinc/22/54/51/570225451.db2.gz MHDCSCYYEHDJGK-UHFFFAOYSA-N 1 1 384.499 3.026 40 0 GGABMO CC(C)Nc1nc2c(cc1C(=O)NCC1CC1)CC[N@@H+](Cc1ccccn1)CC2 ZINC000096260460 570225733 /nfs/dbraw/zinc/22/57/33/570225733.db2.gz IVYANNFYRSWOHQ-UHFFFAOYSA-N 1 1 393.535 3.038 40 0 GGABMO Cc1ccc(C[N@@H+]2CCc3cc(C(=O)N(C)C)c(NCC(C)C)nc3CC2)o1 ZINC000096260502 570225791 /nfs/dbraw/zinc/22/57/91/570225791.db2.gz QHKMOAMXDUYENL-UHFFFAOYSA-N 1 1 384.524 3.354 40 0 GGABMO CN(C)c1nc2c(cc1C(=O)N1CCCC1)CC[N@@H+](CCc1ccccc1)CC2 ZINC000096260391 570225818 /nfs/dbraw/zinc/22/58/18/570225818.db2.gz IMEOYVSRWLYRNL-UHFFFAOYSA-N 1 1 392.547 3.027 40 0 GGABMO Cc1ccc(C[N@H+]2CCc3cc(C(=O)N(C)C)c(NCC4CC4)nc3CC2)o1 ZINC000096260567 570225826 /nfs/dbraw/zinc/22/58/26/570225826.db2.gz ZEMWUJJYAULWCG-UHFFFAOYSA-N 1 1 382.508 3.108 40 0 GGABMO CC(C)Nc1nc2c(cc1C(=O)N1CCCC1)CC[N@@H+](Cc1ccccn1)CC2 ZINC000096260472 570225868 /nfs/dbraw/zinc/22/58/68/570225868.db2.gz QNSFQSDXBOUSNP-UHFFFAOYSA-N 1 1 393.535 3.134 40 0 GGABMO CC(C)Nc1nc2c(cc1C(=O)N(C)C)CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096260432 570225875 /nfs/dbraw/zinc/22/58/75/570225875.db2.gz KZIBWCLKGSNSEO-UHFFFAOYSA-N 1 1 384.499 3.344 40 0 GGABMO CC(C)CNc1nc2c(cc1C(=O)NC(C)C)CC[N@@H+](Cc1cccnc1)CC2 ZINC000096260528 570225897 /nfs/dbraw/zinc/22/58/97/570225897.db2.gz RBTAXQOENBAULN-UHFFFAOYSA-N 1 1 395.551 3.284 40 0 GGABMO CC(C)CNc1nc2c(cc1C(=O)N(C)C)CC[N@@H+](CCc1ccccc1)CC2 ZINC000096260512 570225911 /nfs/dbraw/zinc/22/59/11/570225911.db2.gz JLBDHLHMPWVABR-UHFFFAOYSA-N 1 1 394.563 3.495 40 0 GGABMO CN(C)C(=O)c1cc2c(nc1NCC1CC1)CC[N@@H+](CCc1ccccc1)CC2 ZINC000096260577 570225916 /nfs/dbraw/zinc/22/59/16/570225916.db2.gz QGTURVCUEXQULF-UHFFFAOYSA-N 1 1 392.547 3.249 40 0 GGABMO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000048273942 570226287 /nfs/dbraw/zinc/22/62/87/570226287.db2.gz HXXIAWBTZZORNF-LJQANCHMSA-N 1 1 390.487 3.372 40 0 GGABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@H+](CC(=O)Nc3ccc(F)cc3)CC[C@H]21 ZINC000585261492 570228383 /nfs/dbraw/zinc/22/83/83/570228383.db2.gz YDGNVHHLLZQBHY-YPAWHYETSA-N 1 1 395.478 3.101 40 0 GGABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@@H+](CC(=O)Nc3ccc(F)cc3)CC[C@H]21 ZINC000585261492 570228388 /nfs/dbraw/zinc/22/83/88/570228388.db2.gz YDGNVHHLLZQBHY-YPAWHYETSA-N 1 1 395.478 3.101 40 0 GGABMO COc1ccc2cc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)c(C)nc2c1 ZINC000048290808 570229329 /nfs/dbraw/zinc/22/93/29/570229329.db2.gz DIXTYGXXFLJSGR-UHFFFAOYSA-N 1 1 397.519 3.317 40 0 GGABMO CC(=O)N1CC[N@H+](C2CCC(C)(C)CC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585283042 570251450 /nfs/dbraw/zinc/25/14/50/570251450.db2.gz OXYJFRWCKYWSJZ-JOCHJYFZSA-N 1 1 392.515 3.069 40 0 GGABMO CC(=O)N1CCC([N@H+]2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)C2)CC1 ZINC000585283604 570251961 /nfs/dbraw/zinc/25/19/61/570251961.db2.gz SIPAOVIESHTAEJ-NRFANRHFSA-N 1 1 394.943 3.173 40 0 GGABMO CC(=O)N1CC[C@H]2[C@@H](C1)CCCC[N@H+]2CC1(O)CCN(c2ccc(C)cc2)CC1 ZINC000585284923 570254244 /nfs/dbraw/zinc/25/42/44/570254244.db2.gz KGHIYKVVVRGONN-GGAORHGYSA-N 1 1 399.579 3.049 40 0 GGABMO CC(=O)N1CC[N@H+](C2CCCCCC2)C[C@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585287823 570259018 /nfs/dbraw/zinc/25/90/18/570259018.db2.gz SOILNEINQPKURE-QHCPKHFHSA-N 1 1 388.552 3.300 40 0 GGABMO COc1ccc(OC[C@H](O)C[N@@H+](CCO)Cc2ccccc2)c(C(C)(C)C)c1 ZINC000006306035 570262895 /nfs/dbraw/zinc/26/28/95/570262895.db2.gz GEGKZCJNVVWLRK-LJQANCHMSA-N 1 1 387.520 3.227 40 0 GGABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)C[C@@H]1CCCCO1 ZINC000100687596 570274690 /nfs/dbraw/zinc/27/46/90/570274690.db2.gz NVLPHAYXPBTRJJ-NSHGMRRFSA-N 1 1 390.572 3.173 40 0 GGABMO Cc1ccc(N2C[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1C ZINC000021450429 570295899 /nfs/dbraw/zinc/29/58/99/570295899.db2.gz HOLJDFBZMDHSAJ-NRFANRHFSA-N 1 1 391.515 3.001 40 0 GGABMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000023386577 570300731 /nfs/dbraw/zinc/30/07/31/570300731.db2.gz UVQCOWFTWXFEIF-IBGZPJMESA-N 1 1 384.520 3.381 40 0 GGABMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2cc(C)cc(C)c2C)CC1 ZINC000023643369 570300990 /nfs/dbraw/zinc/30/09/90/570300990.db2.gz DWORFXUKEKKNPB-FQEVSTJZSA-N 1 1 384.520 3.182 40 0 GGABMO C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022025267 570302636 /nfs/dbraw/zinc/30/26/36/570302636.db2.gz VUWGUXSBQAEDCK-XXBNENTESA-N 1 1 377.532 3.387 40 0 GGABMO CCOc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000022197941 570307185 /nfs/dbraw/zinc/30/71/85/570307185.db2.gz SAAMOMWKNRRQDE-UHFFFAOYSA-N 1 1 395.503 3.439 40 0 GGABMO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326979 570315290 /nfs/dbraw/zinc/31/52/90/570315290.db2.gz DPDPJSZEUGGPKL-FQEVSTJZSA-N 1 1 379.504 3.304 40 0 GGABMO Cc1cc(OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)ccc1Cl ZINC000023633458 570328942 /nfs/dbraw/zinc/32/89/42/570328942.db2.gz LYIYIPNMLDIMQM-MRXNPFEDSA-N 1 1 378.875 3.349 40 0 GGABMO C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022904815 570333166 /nfs/dbraw/zinc/33/31/66/570333166.db2.gz TZEQSNRVVNHYTR-GOSISDBHSA-N 1 1 384.545 3.457 40 0 GGABMO Cc1ccc([C@@H](CNC(=O)c2oc3ccccc3c2C)N2CC[NH+](C)CC2)o1 ZINC000022938399 570338665 /nfs/dbraw/zinc/33/86/65/570338665.db2.gz IWMSDSUZUNJJHF-GOSISDBHSA-N 1 1 381.476 3.361 40 0 GGABMO Cc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 ZINC000072378449 570340645 /nfs/dbraw/zinc/34/06/45/570340645.db2.gz LSOZLRYEKSGLPT-HXUWFJFHSA-N 1 1 386.459 3.358 40 0 GGABMO COc1ccc([C@H](CNS(=O)(=O)c2cc(C)ccc2C)[NH+]2CCCC2)cc1 ZINC000023994221 570341761 /nfs/dbraw/zinc/34/17/61/570341761.db2.gz DECWTMLXUGQHMD-FQEVSTJZSA-N 1 1 388.533 3.427 40 0 GGABMO Cc1cccc(N2CC[NH+](CCNC(=O)c3cc(Cl)ccc3F)CC2)c1 ZINC000023171759 570347694 /nfs/dbraw/zinc/34/76/94/570347694.db2.gz JWJFJOPWJOXTCX-UHFFFAOYSA-N 1 1 375.875 3.340 40 0 GGABMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022781933 570377189 /nfs/dbraw/zinc/37/71/89/570377189.db2.gz WZSVGQASAQJTHY-CTNGQTDRSA-N 1 1 393.531 3.477 40 0 GGABMO COc1cc(C[N@H+](CCN2CCOCC2)Cc2cccnc2)ccc1OC(C)C ZINC000022931464 570379447 /nfs/dbraw/zinc/37/94/47/570379447.db2.gz WBGFWHJLTIOROG-UHFFFAOYSA-N 1 1 399.535 3.212 40 0 GGABMO COc1cc(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)ccc1OC(C)C ZINC000022931464 570379449 /nfs/dbraw/zinc/37/94/49/570379449.db2.gz WBGFWHJLTIOROG-UHFFFAOYSA-N 1 1 399.535 3.212 40 0 GGABMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000024813737 570393871 /nfs/dbraw/zinc/39/38/71/570393871.db2.gz ZPISNXAEITUSLG-SFHVURJKSA-N 1 1 392.503 3.252 40 0 GGABMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000024813730 570393891 /nfs/dbraw/zinc/39/38/91/570393891.db2.gz ZPISNXAEITUSLG-GOSISDBHSA-N 1 1 392.503 3.252 40 0 GGABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)cc1 ZINC000006406123 570406174 /nfs/dbraw/zinc/40/61/74/570406174.db2.gz LHMSIOPVCHUMCJ-PUHATCMVSA-N 1 1 386.536 3.376 40 0 biogenic GGABMO COc1ccc(CCNC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)cc1OC ZINC000016419119 570410729 /nfs/dbraw/zinc/41/07/29/570410729.db2.gz TYYRQGFXALFKHA-UHFFFAOYSA-N 1 1 386.467 3.166 40 0 GGABMO COc1ccc(CCNC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)cc1OC ZINC000016419119 570410731 /nfs/dbraw/zinc/41/07/31/570410731.db2.gz TYYRQGFXALFKHA-UHFFFAOYSA-N 1 1 386.467 3.166 40 0 GGABMO O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222599280 570416063 /nfs/dbraw/zinc/41/60/63/570416063.db2.gz SNWSUVLVSPKRDD-GOSISDBHSA-N 1 1 394.450 3.404 40 0 GGABMO COc1cc(C)c(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1C ZINC000222913784 570431190 /nfs/dbraw/zinc/43/11/90/570431190.db2.gz KGTCQAMSFFSVNZ-UHFFFAOYSA-N 1 1 388.533 3.039 40 0 GGABMO COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000223035768 570439091 /nfs/dbraw/zinc/43/90/91/570439091.db2.gz AZVPBZSBPVPXTA-UHFFFAOYSA-N 1 1 391.880 3.321 40 0 GGABMO CC(C)(C)c1ccc(OCCOC[C@@H](O)C[NH+]2CCOCC2)c(C(C)(C)C)c1 ZINC000226070669 570458842 /nfs/dbraw/zinc/45/88/42/570458842.db2.gz IRHFVLIJHNQYAS-IBGZPJMESA-N 1 1 393.568 3.370 40 0 GGABMO COc1ccc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)c(C)c1C ZINC000223360073 570461736 /nfs/dbraw/zinc/46/17/36/570461736.db2.gz BMVVWWSHPCGEQP-UHFFFAOYSA-N 1 1 388.533 3.039 40 0 GGABMO Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)[NH+]3CCC(C)CC3)c(=O)[nH]c12 ZINC000000782267 570480236 /nfs/dbraw/zinc/48/02/36/570480236.db2.gz UVMGSEJLBDTIHR-LJQANCHMSA-N 1 1 394.523 3.399 40 0 GGABMO Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@H](O)COC2CCCCC2)cc1 ZINC000257248968 570488137 /nfs/dbraw/zinc/48/81/37/570488137.db2.gz JGBHZRKSQTXSRQ-IBGZPJMESA-N 1 1 387.524 3.141 40 0 GGABMO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)[C@H]1CCCc3ccccc31)[nH]c2=O ZINC000016694385 570495281 /nfs/dbraw/zinc/49/52/81/570495281.db2.gz ZAVSESPDWXJZCB-IBGZPJMESA-N 1 1 377.444 3.219 40 0 GGABMO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)[C@H]1CCCc3ccccc31)[nH]c2=O ZINC000016694385 570495284 /nfs/dbraw/zinc/49/52/84/570495284.db2.gz ZAVSESPDWXJZCB-IBGZPJMESA-N 1 1 377.444 3.219 40 0 GGABMO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)[C@@H]1CCCc3ccccc31)[nH]c2=O ZINC000016694382 570495331 /nfs/dbraw/zinc/49/53/31/570495331.db2.gz ZAVSESPDWXJZCB-LJQANCHMSA-N 1 1 377.444 3.219 40 0 GGABMO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)[C@@H]1CCCc3ccccc31)[nH]c2=O ZINC000016694382 570495334 /nfs/dbraw/zinc/49/53/34/570495334.db2.gz ZAVSESPDWXJZCB-LJQANCHMSA-N 1 1 377.444 3.219 40 0 GGABMO O[C@@H](COc1cccc(C(F)(F)F)c1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000031948147 570507529 /nfs/dbraw/zinc/50/75/29/570507529.db2.gz FSZHZTHEFBXBJE-GOSISDBHSA-N 1 1 398.400 3.406 40 0 GGABMO O[C@@H](COc1cccc(C(F)(F)F)c1)C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000031948153 570507735 /nfs/dbraw/zinc/50/77/35/570507735.db2.gz LBPFTSNHUYGOQJ-GOSISDBHSA-N 1 1 398.400 3.406 40 0 GGABMO Cc1cccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000033221018 570521241 /nfs/dbraw/zinc/52/12/41/570521241.db2.gz ZAYBRRZILBMWKE-LJQANCHMSA-N 1 1 382.504 3.219 40 0 GGABMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000920680 570536697 /nfs/dbraw/zinc/53/66/97/570536697.db2.gz TYGAZYQOPLMLGI-INIZCTEOSA-N 1 1 393.553 3.111 40 0 GGABMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000920680 570536699 /nfs/dbraw/zinc/53/66/99/570536699.db2.gz TYGAZYQOPLMLGI-INIZCTEOSA-N 1 1 393.553 3.111 40 0 GGABMO O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000043610212 570538877 /nfs/dbraw/zinc/53/88/77/570538877.db2.gz ONTDZFGREIMZKK-INIZCTEOSA-N 1 1 391.437 3.335 40 0 GGABMO O=C(COc1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000148802853 570540896 /nfs/dbraw/zinc/54/08/96/570540896.db2.gz SIAJVVSZIUOKCW-UHFFFAOYSA-N 1 1 378.394 3.429 40 0 GGABMO CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000035883561 570552123 /nfs/dbraw/zinc/55/21/23/570552123.db2.gz OILOJSRFFAWWFA-XKPGHWPRSA-N 1 1 393.531 3.109 40 0 GGABMO COC(=O)c1ccc(OC)c(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c1 ZINC000225298488 570562788 /nfs/dbraw/zinc/56/27/88/570562788.db2.gz OZKWJGCLAMLPDS-UHFFFAOYSA-N 1 1 379.416 3.287 40 0 GGABMO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000022925237 570580573 /nfs/dbraw/zinc/58/05/73/570580573.db2.gz MEANXMSJBUAAKA-YADHBBJMSA-N 1 1 397.494 3.302 40 0 GGABMO COc1ccc2cc(CNC3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000004132799 570617743 /nfs/dbraw/zinc/61/77/43/570617743.db2.gz MRIKJSDRLBDZRI-UHFFFAOYSA-N 1 1 377.488 3.291 40 0 GGABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004162210 570620554 /nfs/dbraw/zinc/62/05/54/570620554.db2.gz VICHCFPKUSUQNO-KXBFYZLASA-N 1 1 394.523 3.399 40 0 GGABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004162210 570620555 /nfs/dbraw/zinc/62/05/55/570620555.db2.gz VICHCFPKUSUQNO-KXBFYZLASA-N 1 1 394.523 3.399 40 0 GGABMO CC(=O)NCCn1nc([C@@H]2CCC[N@@H+](CC3CCCCC3)C2)c2cccnc21 ZINC000012219492 570627200 /nfs/dbraw/zinc/62/72/00/570627200.db2.gz FHLPROHONOKMSW-LJQANCHMSA-N 1 1 383.540 3.327 40 0 GGABMO OC1(c2cccnc2)CCN(Cc2ccccc2OCC[NH+]2CCCCC2)CC1 ZINC000012363678 570646121 /nfs/dbraw/zinc/64/61/21/570646121.db2.gz QFESPLDKHDOOAV-UHFFFAOYSA-N 1 1 395.547 3.430 40 0 GGABMO CCC[N@H+]1C[C@H](NC(=O)Cc2ccc(OC)cc2)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364775 570646810 /nfs/dbraw/zinc/64/68/10/570646810.db2.gz WBAYDNJNUUGELE-YADHBBJMSA-N 1 1 382.504 3.241 40 0 GGABMO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)c(C)s1 ZINC000012366353 570647312 /nfs/dbraw/zinc/64/73/12/570647312.db2.gz GDRLNXAODOYIJA-QIDMFYOTSA-N 1 1 399.560 3.357 40 0 GGABMO O=C(C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2)Nc1ccccc1 ZINC000004908044 570647413 /nfs/dbraw/zinc/64/74/13/570647413.db2.gz JGMHDOYMMADCTL-SEJPIABJSA-N 1 1 377.488 3.441 40 0 GGABMO O=C(C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2)Nc1ccccc1 ZINC000004908044 570647416 /nfs/dbraw/zinc/64/74/16/570647416.db2.gz JGMHDOYMMADCTL-SEJPIABJSA-N 1 1 377.488 3.441 40 0 GGABMO CNC(=O)c1ccc(NC(=O)C[NH+]2CCC(CCc3ccccc3)CC2)cc1 ZINC000011155626 570706474 /nfs/dbraw/zinc/70/64/74/570706474.db2.gz QWOSGQBSVFCQJQ-UHFFFAOYSA-N 1 1 379.504 3.330 40 0 GGABMO CC1(C)[C@H](OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000033534410 570741487 /nfs/dbraw/zinc/74/14/87/570741487.db2.gz QMLWWGIZZNRUFZ-GRSYGWAWSA-N 1 1 386.580 3.397 40 0 GGABMO CC1(C)[C@H](OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000253479460 570741996 /nfs/dbraw/zinc/74/19/96/570741996.db2.gz QMLWWGIZZNRUFZ-HYVLGVRCSA-N 1 1 386.580 3.397 40 0 GGABMO NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063736 570774421 /nfs/dbraw/zinc/77/44/21/570774421.db2.gz ZGSNMFBJWHGHOY-UHFFFAOYSA-N 1 1 389.858 3.429 40 0 GGABMO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000007449283 570844846 /nfs/dbraw/zinc/84/48/46/570844846.db2.gz RUMJSJSRRROLSH-STQMWFEESA-N 1 1 388.386 3.187 40 0 GGABMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000007449283 570844849 /nfs/dbraw/zinc/84/48/49/570844849.db2.gz RUMJSJSRRROLSH-STQMWFEESA-N 1 1 388.386 3.187 40 0 GGABMO COc1cc2c(cc1C[N@H+](CCCN1CCOCC1)Cc1cccnc1)CCC2 ZINC000013569075 570850811 /nfs/dbraw/zinc/85/08/11/570850811.db2.gz RSWQXXLDLZDGTR-UHFFFAOYSA-N 1 1 395.547 3.303 40 0 GGABMO COc1cc2c(cc1C[N@@H+](CCCN1CCOCC1)Cc1cccnc1)CCC2 ZINC000013569075 570850813 /nfs/dbraw/zinc/85/08/13/570850813.db2.gz RSWQXXLDLZDGTR-UHFFFAOYSA-N 1 1 395.547 3.303 40 0 GGABMO C[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(cc1Cl)OCO2 ZINC000013991899 570868791 /nfs/dbraw/zinc/86/87/91/570868791.db2.gz HQIAMYOEJVMLAF-GFCCVEGCSA-N 1 1 377.824 3.180 40 0 GGABMO C[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(cc1Cl)OCO2 ZINC000013991899 570868795 /nfs/dbraw/zinc/86/87/95/570868795.db2.gz HQIAMYOEJVMLAF-GFCCVEGCSA-N 1 1 377.824 3.180 40 0 GGABMO O=c1[nH]c2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000014162710 570878447 /nfs/dbraw/zinc/87/84/47/570878447.db2.gz DWEPKRHVZBTJFY-UHFFFAOYSA-N 1 1 389.480 3.299 40 0 GGABMO O=c1[nH]c2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000014162710 570878450 /nfs/dbraw/zinc/87/84/50/570878450.db2.gz DWEPKRHVZBTJFY-UHFFFAOYSA-N 1 1 389.480 3.299 40 0 GGABMO COCCc1ncc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(C)cc4)[C@H]3C2)cn1 ZINC000072340463 570880475 /nfs/dbraw/zinc/88/04/75/570880475.db2.gz XYJQAKXRIMJVLA-IEIRFRATSA-N 1 1 381.520 3.094 40 0 GGABMO COCCc1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@]3(O)c2ccc(C)cc2)cn1 ZINC000072340465 570880575 /nfs/dbraw/zinc/88/05/75/570880575.db2.gz XYJQAKXRIMJVLA-UNWVZKJWSA-N 1 1 381.520 3.094 40 0 GGABMO Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=[NH+][C@@H]2c1ccccc1 ZINC000014607526 570893214 /nfs/dbraw/zinc/89/32/14/570893214.db2.gz UNKZWBYVWQPJPE-SFHVURJKSA-N 1 1 379.851 3.323 40 0 GGABMO Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=[NH+][C@H]2c1ccccc1 ZINC000014607527 570893280 /nfs/dbraw/zinc/89/32/80/570893280.db2.gz UNKZWBYVWQPJPE-GOSISDBHSA-N 1 1 379.851 3.323 40 0 GGABMO CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C)cc1 ZINC000016034031 570909818 /nfs/dbraw/zinc/90/98/18/570909818.db2.gz CIURKCQXEYADEO-TYCQWZJGSA-N 1 1 379.504 3.179 40 0 GGABMO COc1ccc(-c2nc(N3CC[NH+](C)CC3)nc3c2C(=O)c2ccccc2-3)cc1 ZINC000017078853 570917663 /nfs/dbraw/zinc/91/76/63/570917663.db2.gz OPXPVBRRAYGXID-UHFFFAOYSA-N 1 1 386.455 3.115 40 0 GGABMO Cc1ccccc1OCC(=O)N1CCC[C@]12CCC[N@@H+](C[C@@H]1CCCO1)CC2 ZINC000585100789 570928200 /nfs/dbraw/zinc/92/82/00/570928200.db2.gz WPNLMIJJGCJYLI-REWPJTCUSA-N 1 1 386.536 3.400 40 0 GGABMO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccccc2)c2ccccc2Cl)CC1 ZINC000019528073 570928751 /nfs/dbraw/zinc/92/87/51/570928751.db2.gz TYSSCXHMQHJKRV-HXUWFJFHSA-N 1 1 396.926 3.102 40 0 GGABMO Cc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2CCNC(=O)C1CC(F)(F)C1 ZINC000585103590 570928933 /nfs/dbraw/zinc/92/89/33/570928933.db2.gz YGSZSAMVCCJEFF-GOSISDBHSA-N 1 1 378.463 3.138 40 0 GGABMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585104057 570929977 /nfs/dbraw/zinc/92/99/77/570929977.db2.gz IGLVYDQRMDYHME-JTSKRJEESA-N 1 1 383.492 3.104 40 0 GGABMO C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCN(C(=O)CCc2cccnc2)CC3)C1 ZINC000585104082 570930156 /nfs/dbraw/zinc/93/01/56/570930156.db2.gz LIWQEBIXLADKBM-TZIWHRDSSA-N 1 1 385.552 3.144 40 0 GGABMO COCC[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1cccc(C)c1)CC2)C(C)C ZINC000585102974 570931154 /nfs/dbraw/zinc/93/11/54/570931154.db2.gz ASERRBYLAHINDC-NRFANRHFSA-N 1 1 388.552 3.363 40 0 GGABMO CC1CCC(C(=O)N2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCc2cccnc2)CC1 ZINC000585103286 570931662 /nfs/dbraw/zinc/93/16/62/570931662.db2.gz UDFNOJVNORYFNF-ZRDBQHMHSA-N 1 1 385.552 3.205 40 0 GGABMO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H](C)C4)C3)CC2)c1 ZINC000585103045 570931788 /nfs/dbraw/zinc/93/17/88/570931788.db2.gz BQXLQJOMVTYREW-OALUTQOASA-N 1 1 386.536 3.444 40 0 GGABMO COCC[N@@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(C)cc1)CC2)C(C)C ZINC000585103503 570932187 /nfs/dbraw/zinc/93/21/87/570932187.db2.gz GZPMMPRUNJFNBZ-OAQYLSRUSA-N 1 1 388.552 3.363 40 0 GGABMO Cc1noc(C)c1CN1C[C@]2(CC1=O)COCC[N@H+]([C@H](C)c1ccccc1)C2 ZINC000585104399 570933160 /nfs/dbraw/zinc/93/31/60/570933160.db2.gz LVKXYRWVRLCEEL-VGOFRKELSA-N 1 1 383.492 3.104 40 0 GGABMO Cc1noc(C)c1CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(C)ccc1C)C2 ZINC000585104749 570933569 /nfs/dbraw/zinc/93/35/69/570933569.db2.gz SUOCSQCDOHXRGQ-QHCPKHFHSA-N 1 1 397.519 3.159 40 0 GGABMO C[N@H+](Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(C(=O)c1ccccc1)CC2 ZINC000585104614 570933657 /nfs/dbraw/zinc/93/36/57/570933657.db2.gz RTAVEEZUTJOMSP-NRFANRHFSA-N 1 1 379.504 3.225 40 0 GGABMO O=C(COc1cccc2ccccc21)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000194607723 570944127 /nfs/dbraw/zinc/94/41/27/570944127.db2.gz XHNBGEFAXKQXSL-UHFFFAOYSA-N 1 1 390.483 3.367 40 0 GGABMO CCC[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1nnc(-c2cccs2)o1 ZINC000007589727 570949448 /nfs/dbraw/zinc/94/94/48/570949448.db2.gz FXHNMGADZIWEOE-UHFFFAOYSA-N 1 1 396.472 3.306 40 0 GGABMO CCC[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1nnc(-c2cccs2)o1 ZINC000007589727 570949452 /nfs/dbraw/zinc/94/94/52/570949452.db2.gz FXHNMGADZIWEOE-UHFFFAOYSA-N 1 1 396.472 3.306 40 0 GGABMO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217367 570951546 /nfs/dbraw/zinc/95/15/46/570951546.db2.gz AVRNAFGQXAHLRV-MRXNPFEDSA-N 1 1 388.895 3.256 40 0 GGABMO O=C(C1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)C1 ZINC000019014673 570954130 /nfs/dbraw/zinc/95/41/30/570954130.db2.gz NFOAVLHAVCDNIW-KRWDZBQOSA-N 1 1 398.551 3.379 40 0 GGABMO O=C(C1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019014887 570954150 /nfs/dbraw/zinc/95/41/50/570954150.db2.gz MSRJDYKFEMUDHX-QGZVFWFLSA-N 1 1 398.551 3.379 40 0 GGABMO CC(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](Cc2c[nH]c4ccccc24)C3)CC1 ZINC000019016868 570954177 /nfs/dbraw/zinc/95/41/77/570954177.db2.gz UFAQNTPQMCWBRW-UHFFFAOYSA-N 1 1 389.503 3.242 40 0 GGABMO CC(=O)N1CCC(c2ncc3c(n2)CC[N@H+](Cc2c[nH]c4ccccc24)C3)CC1 ZINC000019016868 570954179 /nfs/dbraw/zinc/95/41/79/570954179.db2.gz UFAQNTPQMCWBRW-UHFFFAOYSA-N 1 1 389.503 3.242 40 0 GGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+]3CCCOc3ccccc3F)ncc2C1 ZINC000019018613 570954992 /nfs/dbraw/zinc/95/49/92/570954992.db2.gz RNJSLZZKYUYMAT-HXUWFJFHSA-N 1 1 398.482 3.126 40 0 GGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@H+]3CCCOc3ccccc3F)ncc2C1 ZINC000019018613 570954994 /nfs/dbraw/zinc/95/49/94/570954994.db2.gz RNJSLZZKYUYMAT-HXUWFJFHSA-N 1 1 398.482 3.126 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc1OC ZINC000019129248 570957762 /nfs/dbraw/zinc/95/77/62/570957762.db2.gz DKTJJZOPFAJKBB-INIZCTEOSA-N 1 1 381.480 3.017 40 0 GGABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4cc5c(cc4C)OCO5)C3)cc(N)n2n1 ZINC000019125579 570957906 /nfs/dbraw/zinc/95/79/06/570957906.db2.gz DLHRCSRFJFHAIA-OAHLLOKOSA-N 1 1 379.464 3.037 40 0 GGABMO Cc1cc2cc(C(=O)N3CCc4nc([C@@H]5CCC[N@H+]5C)ncc4C3)ccc2o1 ZINC000019126413 570957947 /nfs/dbraw/zinc/95/79/47/570957947.db2.gz AHSBNQCKMNWBDB-IBGZPJMESA-N 1 1 376.460 3.496 40 0 GGABMO Cc1cc2cc(C(=O)N3CCc4nc([C@@H]5CCC[N@@H+]5C)ncc4C3)ccc2o1 ZINC000019126413 570957949 /nfs/dbraw/zinc/95/79/49/570957949.db2.gz AHSBNQCKMNWBDB-IBGZPJMESA-N 1 1 376.460 3.496 40 0 GGABMO COc1cc(C)ccc1C[N@@H+]1CCc2nc([C@H]3CCCCN3C(C)=O)ncc2C1 ZINC000019134103 570958456 /nfs/dbraw/zinc/95/84/56/570958456.db2.gz ZRYKZFLCNHWOER-OAQYLSRUSA-N 1 1 394.519 3.425 40 0 GGABMO COc1cc(C)ccc1C[N@H+]1CCc2nc([C@H]3CCCCN3C(C)=O)ncc2C1 ZINC000019134103 570958459 /nfs/dbraw/zinc/95/84/59/570958459.db2.gz ZRYKZFLCNHWOER-OAQYLSRUSA-N 1 1 394.519 3.425 40 0 GGABMO Cc1ccc([C@@H](C)C(=O)N2CCc3nc([C@H]4CCC[N@@H+](C)C4)ncc3C2)cc1 ZINC000019136149 570958928 /nfs/dbraw/zinc/95/89/28/570958928.db2.gz BXZHSGXQEOCDQC-MJGOQNOKSA-N 1 1 378.520 3.283 40 0 GGABMO Cc1ccc([C@H](C)C(=O)N2CCc3nc([C@@H]4CCC[N@@H+](C)C4)ncc3C2)cc1 ZINC000019136145 570958935 /nfs/dbraw/zinc/95/89/35/570958935.db2.gz BXZHSGXQEOCDQC-PKOBYXMFSA-N 1 1 378.520 3.283 40 0 GGABMO Cc1ccc([C@@H](C)[NH+]2CCN(C(=O)CCN3Cc4ccccc4C3=O)CC2)cc1 ZINC000019136397 570959007 /nfs/dbraw/zinc/95/90/07/570959007.db2.gz ZGCUQGRSWFSHCQ-LJQANCHMSA-N 1 1 391.515 3.246 40 0 GGABMO Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1 ZINC000019135929 570959059 /nfs/dbraw/zinc/95/90/59/570959059.db2.gz FNCBIJOFLONZGR-PKOBYXMFSA-N 1 1 378.520 3.283 40 0 GGABMO COCCNc1nc(-c2ccccn2)nc2c1CC[N@H+](Cc1ccc(C)cc1)C2 ZINC000019210388 570960642 /nfs/dbraw/zinc/96/06/42/570960642.db2.gz QSDKRVZDYDJWTH-UHFFFAOYSA-N 1 1 389.503 3.464 40 0 GGABMO COCCNc1nc(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccc(C)cc1)C2 ZINC000019210388 570960644 /nfs/dbraw/zinc/96/06/44/570960644.db2.gz QSDKRVZDYDJWTH-UHFFFAOYSA-N 1 1 389.503 3.464 40 0 GGABMO COCCOc1cccc(C[N@@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)c1 ZINC000019216140 570961765 /nfs/dbraw/zinc/96/17/65/570961765.db2.gz GBLUHADQMKRTAQ-UNWVZKJWSA-N 1 1 382.504 3.145 40 0 GGABMO Cc1ccc([C@H](Cc2ccsc2)[NH2+]Cc2cnc(N3CCOCC3)nc2)nc1 ZINC000019215629 570961834 /nfs/dbraw/zinc/96/18/34/570961834.db2.gz GPNZAXPCJPIWRZ-FQEVSTJZSA-N 1 1 395.532 3.152 40 0 GGABMO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccnc(N3CCCC3)n2)o1 ZINC000019216480 570961849 /nfs/dbraw/zinc/96/18/49/570961849.db2.gz XSVIHFFSORJPMV-UHFFFAOYSA-N 1 1 380.496 3.267 40 0 GGABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccnc(N3CCCC3)n2)o1 ZINC000019216480 570961850 /nfs/dbraw/zinc/96/18/50/570961850.db2.gz XSVIHFFSORJPMV-UHFFFAOYSA-N 1 1 380.496 3.267 40 0 GGABMO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2cnc(N3CCOCC3)nc2)nc1 ZINC000019215627 570961873 /nfs/dbraw/zinc/96/18/73/570961873.db2.gz GPNZAXPCJPIWRZ-HXUWFJFHSA-N 1 1 395.532 3.152 40 0 GGABMO CC(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3CCOc3cccc(C)c3)ncc2C1 ZINC000019235196 570965595 /nfs/dbraw/zinc/96/55/95/570965595.db2.gz CVOSXCFDVVVCOJ-QFIPXVFZSA-N 1 1 394.519 3.296 40 0 GGABMO CC(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3CCOc3cccc(C)c3)ncc2C1 ZINC000019235196 570965596 /nfs/dbraw/zinc/96/55/96/570965596.db2.gz CVOSXCFDVVVCOJ-QFIPXVFZSA-N 1 1 394.519 3.296 40 0 GGABMO CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](CCOc1cccc(C)c1)C2 ZINC000019235198 570965624 /nfs/dbraw/zinc/96/56/24/570965624.db2.gz RLTSJWWXFZCINF-JOCHJYFZSA-N 1 1 394.519 3.296 40 0 GGABMO CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](CCOc1cccc(C)c1)C2 ZINC000019235198 570965626 /nfs/dbraw/zinc/96/56/26/570965626.db2.gz RLTSJWWXFZCINF-JOCHJYFZSA-N 1 1 394.519 3.296 40 0 GGABMO COc1c(C)cccc1C[N@H+]1CCC[C@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019235977 570966336 /nfs/dbraw/zinc/96/63/36/570966336.db2.gz ZBSHNDKJBLCOBQ-IBGZPJMESA-N 1 1 394.519 3.078 40 0 GGABMO COc1c(C)cccc1C[N@@H+]1CCc2nc([C@H]3CCCCN3C(C)=O)ncc2C1 ZINC000019235998 570966370 /nfs/dbraw/zinc/96/63/70/570966370.db2.gz HKIGVTKGKQIEIU-OAQYLSRUSA-N 1 1 394.519 3.425 40 0 GGABMO COc1c(C)cccc1C[N@H+]1CCc2nc([C@H]3CCCCN3C(C)=O)ncc2C1 ZINC000019235998 570966374 /nfs/dbraw/zinc/96/63/74/570966374.db2.gz HKIGVTKGKQIEIU-OAQYLSRUSA-N 1 1 394.519 3.425 40 0 GGABMO COc1ccccc1C[N@H+]1C[C@@H](c2cccc(C)n2)[C@]2(C1)CCCCC(=O)N2 ZINC000019236390 570966456 /nfs/dbraw/zinc/96/64/56/570966456.db2.gz ZVBRYUKYQGGRQW-WMZHIEFXSA-N 1 1 379.504 3.427 40 0 GGABMO Cc1cccc(C[N@H+]2CCCN(C(=O)CCc3ccc4c(c3)C[C@H](C)O4)CC2)n1 ZINC000019236269 570966481 /nfs/dbraw/zinc/96/64/81/570966481.db2.gz PJCMZHHJZLGJED-IBGZPJMESA-N 1 1 393.531 3.381 40 0 GGABMO Cc1cccc(C[N@@H+]2CCCN(C(=O)CCc3ccc4c(c3)C[C@H](C)O4)CC2)n1 ZINC000019236269 570966485 /nfs/dbraw/zinc/96/64/85/570966485.db2.gz PJCMZHHJZLGJED-IBGZPJMESA-N 1 1 393.531 3.381 40 0 GGABMO Cc1ccnn1Cc1cc(C(=O)NCCCn2cc[nH+]c2C)c2ccccc2n1 ZINC000019238536 570967933 /nfs/dbraw/zinc/96/79/33/570967933.db2.gz LTJAJONTDVYZFI-UHFFFAOYSA-N 1 1 388.475 3.113 40 0 GGABMO Cc1cnn(CCC(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)c1 ZINC000019240013 570968680 /nfs/dbraw/zinc/96/86/80/570968680.db2.gz KRUACANXIWMBLW-XJUOHMSHSA-N 1 1 380.536 3.451 40 0 GGABMO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@]3(C1)OCCc1cnc(C)nc13)CO2 ZINC000019287390 570970201 /nfs/dbraw/zinc/97/02/01/570970201.db2.gz OQYCFWDJHARUFA-HSZRJFAPSA-N 1 1 393.487 3.133 40 0 GGABMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@]3(C1)OCCc1cnc(C)nc13)CO2 ZINC000019287390 570970202 /nfs/dbraw/zinc/97/02/02/570970202.db2.gz OQYCFWDJHARUFA-HSZRJFAPSA-N 1 1 393.487 3.133 40 0 GGABMO COc1cc2c(cc1C[N@@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1nccn1C)CCCC2 ZINC000019291369 570972405 /nfs/dbraw/zinc/97/24/05/570972405.db2.gz NJORXIYCMVQYBI-SVGJNIJCSA-N 1 1 395.547 3.427 40 0 GGABMO O=c1cc(-c2ccncc2)nc([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)[nH]1 ZINC000019292923 570972802 /nfs/dbraw/zinc/97/28/02/570972802.db2.gz PBXVERVUCWMLOF-INIZCTEOSA-N 1 1 382.414 3.490 40 0 GGABMO c1csc(-c2n[nH]cc2C[N@H+](CCCN2CCOCC2)Cc2cccnc2)c1 ZINC000019338560 570976697 /nfs/dbraw/zinc/97/66/97/570976697.db2.gz KRTNWFDTWWMITH-UHFFFAOYSA-N 1 1 397.548 3.258 40 0 GGABMO O=C(NC1CC1)c1cc([C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)no1 ZINC000019347025 570978215 /nfs/dbraw/zinc/97/82/15/570978215.db2.gz OORNBEFDGOOIMU-KRWDZBQOSA-N 1 1 376.460 3.495 40 0 GGABMO O=C1N[C@@]2(CC[N@@H+](Cc3cnc(N4CCCCC4)s3)C2)CCc2ccccc21 ZINC000019375275 570981934 /nfs/dbraw/zinc/98/19/34/570981934.db2.gz ULDHISPAFAKZMA-JOCHJYFZSA-N 1 1 396.560 3.454 40 0 GGABMO O=C1N[C@]2(CC[N@@H+](Cc3cnc(N4CCCCC4)s3)C2)CCc2ccccc21 ZINC000019375276 570982052 /nfs/dbraw/zinc/98/20/52/570982052.db2.gz ULDHISPAFAKZMA-QFIPXVFZSA-N 1 1 396.560 3.454 40 0 GGABMO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCC[N@H+]1C1CCCC1 ZINC000019404180 570983284 /nfs/dbraw/zinc/98/32/84/570983284.db2.gz HUGUKMFBNRUACV-HXUWFJFHSA-N 1 1 396.539 3.012 40 0 GGABMO Clc1cc2c(cc1C[NH+]1CCC(c3nnc(-c4cnccn4)o3)CC1)OCO2 ZINC000019403884 570983337 /nfs/dbraw/zinc/98/33/37/570983337.db2.gz UOGUHKNDQYJHSS-UHFFFAOYSA-N 1 1 399.838 3.288 40 0 GGABMO CC(=O)N1CCc2nc([C@@H]3CC[N@H+](Cc4ccc(OC(C)C)cc4)C3)ncc2C1 ZINC000019450582 570984928 /nfs/dbraw/zinc/98/49/28/570984928.db2.gz BJPXBFJSZJXQHR-LJQANCHMSA-N 1 1 394.519 3.158 40 0 GGABMO CC(C)Oc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2Cc2ccccc2)cc1 ZINC000019450688 570985160 /nfs/dbraw/zinc/98/51/60/570985160.db2.gz YFYKUMDPQZCTMH-XPWALMASSA-N 1 1 380.532 3.336 40 0 GGABMO CC(C)c1ccccc1OCC(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019453373 570985958 /nfs/dbraw/zinc/98/59/58/570985958.db2.gz MHOPVPASRMACIK-HXUWFJFHSA-N 1 1 394.519 3.330 40 0 GGABMO CC(C)c1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 ZINC000019454054 570986751 /nfs/dbraw/zinc/98/67/51/570986751.db2.gz YVABDOVTZYNMIR-KRWDZBQOSA-N 1 1 390.491 3.125 40 0 GGABMO CC(C)c1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cn1 ZINC000019454048 570986806 /nfs/dbraw/zinc/98/68/06/570986806.db2.gz MXSJMMWZFVEEAY-GOSISDBHSA-N 1 1 396.539 3.053 40 0 GGABMO C[C@H](Cn1cccn1)C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019457644 570987463 /nfs/dbraw/zinc/98/74/63/570987463.db2.gz ZDPLOTFNUIBRLE-ZDFPQIBNSA-N 1 1 380.536 3.388 40 0 GGABMO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2c[nH]c4ccccc24)C3)C1 ZINC000019496581 570989422 /nfs/dbraw/zinc/98/94/22/570989422.db2.gz ZRTYIJZJHKVNFW-OAHLLOKOSA-N 1 1 377.492 3.046 40 0 GGABMO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2c[nH]c4ccccc24)C3)C1 ZINC000019496581 570989425 /nfs/dbraw/zinc/98/94/25/570989425.db2.gz ZRTYIJZJHKVNFW-OAHLLOKOSA-N 1 1 377.492 3.046 40 0 GGABMO COc1cccc(C[N@@H+]2CCN(C(=O)CCn3ccc4ccncc43)[C@@H](C)C2)c1 ZINC000019497770 570990407 /nfs/dbraw/zinc/99/04/07/570990407.db2.gz PYTUVTWQPSBBJT-SFHVURJKSA-N 1 1 392.503 3.168 40 0 GGABMO COc1cccc(C[N@H+]2CCN(C(=O)CCn3ccc4ccncc43)[C@@H](C)C2)c1 ZINC000019497770 570990411 /nfs/dbraw/zinc/99/04/11/570990411.db2.gz PYTUVTWQPSBBJT-SFHVURJKSA-N 1 1 392.503 3.168 40 0 GGABMO CCC(C)(C)NC(=O)C[NH+]1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 ZINC000019499501 570992100 /nfs/dbraw/zinc/99/21/00/570992100.db2.gz HDUNMFQQHLSQFO-UHFFFAOYSA-N 1 1 379.888 3.190 40 0 GGABMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)c2ccc3c(c2)OCCCO3)CC1 ZINC000019520216 570994147 /nfs/dbraw/zinc/99/41/47/570994147.db2.gz IQVROLPKMWZDBD-HXUWFJFHSA-N 1 1 398.503 3.102 40 0 GGABMO CCc1c(C)nc([C@@H]2CCC[N@@H+](Cc3cc(COC)ccc3OC)C2)[nH]c1=O ZINC000019521540 570994460 /nfs/dbraw/zinc/99/44/60/570994460.db2.gz VDQXOPWFZSPBTF-QGZVFWFLSA-N 1 1 385.508 3.175 40 0 GGABMO CCOc1cc2c(cc1C[N@H+]1CCC[C@H](c3nc(C)c(CC)c(=O)[nH]3)C1)OCO2 ZINC000019521545 570994530 /nfs/dbraw/zinc/99/45/30/570994530.db2.gz PWDVRBLSZKEKAY-HNNXBMFYSA-N 1 1 399.491 3.148 40 0 GGABMO CCc1cc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)n(C)n1 ZINC000019522169 570994932 /nfs/dbraw/zinc/99/49/32/570994932.db2.gz OORLJCPMVBEYQJ-UHFFFAOYSA-N 1 1 380.496 3.107 40 0 GGABMO Cc1nnnn1-c1cccc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000045689368 570995128 /nfs/dbraw/zinc/99/51/28/570995128.db2.gz WQHYQAWCBNCUIY-SFHVURJKSA-N 1 1 399.886 3.049 40 0 GGABMO CCc1[nH+]ccn1CC1(O)CCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000019523610 570995793 /nfs/dbraw/zinc/99/57/93/570995793.db2.gz IBMQPMNGEPGMEK-UHFFFAOYSA-N 1 1 399.535 3.176 40 0 GGABMO CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000019523563 570995812 /nfs/dbraw/zinc/99/58/12/570995812.db2.gz FKRPXNWMZVOUOB-OAHLLOKOSA-N 1 1 383.521 3.040 40 0 GGABMO CCc1nccn1CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@H+]2C ZINC000019523509 570995854 /nfs/dbraw/zinc/99/58/54/570995854.db2.gz RTRVUMGMXUWXIZ-TXTKFYIRSA-N 1 1 380.536 3.315 40 0 GGABMO CCc1nccn1CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@H+]2C ZINC000019523510 570995956 /nfs/dbraw/zinc/99/59/56/570995956.db2.gz TXFNQBVLBRDXOH-TXTKFYIRSA-N 1 1 380.536 3.315 40 0 GGABMO CCOc1cc2c(cc1C[N@H+]1C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C1)OCO2 ZINC000019532399 570999144 /nfs/dbraw/zinc/99/91/44/570999144.db2.gz MVSOIITYNHJXIJ-XAEMIUIASA-N 1 1 396.487 3.247 40 0 GGABMO CCOc1ccc(C[N@H+]2CC[C@@](O)(c3ccccc3)C2)cc1Cn1ccnc1 ZINC000019533669 570999708 /nfs/dbraw/zinc/99/97/08/570999708.db2.gz PLGGUOCZRLHCDZ-QHCPKHFHSA-N 1 1 377.488 3.424 40 0 GGABMO CCOc1ccc(CCC(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1 ZINC000019533130 570999789 /nfs/dbraw/zinc/99/97/89/570999789.db2.gz GQZQGUAIEYTBPX-OAQYLSRUSA-N 1 1 394.519 3.160 40 0 GGABMO Cc1c(C[N@H+]2CCC[C@@H](c3cc(C(=O)NCC4CCCCC4)on3)C2)cnn1C ZINC000019553672 571002573 /nfs/dbraw/zinc/00/25/73/571002573.db2.gz VWKCEZUULGQUFZ-GOSISDBHSA-N 1 1 399.539 3.406 40 0 GGABMO CC(=O)N(C)C1CCC2(CC1)C[N@@H+](Cc1cnn(C)c1C)Cc1ccccc1O2 ZINC000019553787 571002595 /nfs/dbraw/zinc/00/25/95/571002595.db2.gz FTCJTJSKCLKAKD-UHFFFAOYSA-N 1 1 396.535 3.283 40 0 GGABMO COc1ccc(CC[C@@H]2CCCC[N@H+]2Cc2cnc(N3CCOCC3)nc2)cc1 ZINC000019554632 571002858 /nfs/dbraw/zinc/00/28/58/571002858.db2.gz KVMIBADQIBNSLH-NRFANRHFSA-N 1 1 396.535 3.309 40 0 GGABMO Cc1nc2ccccn2c1C[N@H+]1C[C@@H](c2cccnc2)[C@]2(C1)CCCCC(=O)N2 ZINC000019555023 571002927 /nfs/dbraw/zinc/00/29/27/571002927.db2.gz FLWLQRDQJXZPNX-WMZHIEFXSA-N 1 1 389.503 3.066 40 0 GGABMO C[C@@H](CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1N1CCOCC1)c1ccccc1 ZINC000053139973 571003789 /nfs/dbraw/zinc/00/37/89/571003789.db2.gz KGHCWUVTCYSXDY-VQTJNVASSA-N 1 1 395.547 3.263 40 0 GGABMO C[C@@H](CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1N1CCOCC1)c1ccccc1 ZINC000053139973 571003791 /nfs/dbraw/zinc/00/37/91/571003791.db2.gz KGHCWUVTCYSXDY-VQTJNVASSA-N 1 1 395.547 3.263 40 0 GGABMO Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)[C@H]3CC=CCC3)CC2)n(C)n1 ZINC000019562428 571005966 /nfs/dbraw/zinc/00/59/66/571005966.db2.gz GYKXFUNJJBMYOM-INIZCTEOSA-N 1 1 399.564 3.289 40 0 GGABMO Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)[C@@H]3CC=CCC3)CC2)n(C)n1 ZINC000019562431 571006003 /nfs/dbraw/zinc/00/60/03/571006003.db2.gz GYKXFUNJJBMYOM-MRXNPFEDSA-N 1 1 399.564 3.289 40 0 GGABMO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019565377 571007448 /nfs/dbraw/zinc/00/74/48/571007448.db2.gz LWNFTOMOEBNVBT-IBGZPJMESA-N 1 1 393.466 3.371 40 0 GGABMO Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019565835 571007725 /nfs/dbraw/zinc/00/77/25/571007725.db2.gz HQOGNFCHGBPIEB-LJQANCHMSA-N 1 1 375.476 3.232 40 0 GGABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)N4CCCC4)on3)C2)c1OC ZINC000019567817 571008856 /nfs/dbraw/zinc/00/88/56/571008856.db2.gz OEFBOIASDCLVAE-INIZCTEOSA-N 1 1 399.491 3.307 40 0 GGABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019570250 571009781 /nfs/dbraw/zinc/00/97/81/571009781.db2.gz WBYKSJLVVXNTSP-VNQPRFMTSA-N 1 1 377.439 3.189 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c(C)c1C ZINC000019577293 571012366 /nfs/dbraw/zinc/01/23/66/571012366.db2.gz PIUCYBQFIZVPAI-IBGZPJMESA-N 1 1 390.487 3.447 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c(C)c1C ZINC000019577292 571012392 /nfs/dbraw/zinc/01/23/92/571012392.db2.gz PIUCYBQFIZVPAI-LJQANCHMSA-N 1 1 390.487 3.447 40 0 GGABMO Cc1oc2c(c1C(=O)N1CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC1)CCCC2 ZINC000019581210 571012936 /nfs/dbraw/zinc/01/29/36/571012936.db2.gz NCHIAAOQNUEYBD-UHFFFAOYSA-N 1 1 394.519 3.265 40 0 GGABMO C[NH+](C)[C@H](C(=O)N1CCC[C@H](C(=O)N2CCCCCC2)C1)c1ccc(F)cc1 ZINC000019581563 571013798 /nfs/dbraw/zinc/01/37/98/571013798.db2.gz VCJWYNHAHLJVET-ICSRJNTNSA-N 1 1 389.515 3.070 40 0 GGABMO C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(Cc2ccccn2)CC1 ZINC000019587717 571015812 /nfs/dbraw/zinc/01/58/12/571015812.db2.gz LYNQTSDWKQEHQI-XMSQKQJNSA-N 1 1 396.510 3.392 40 0 GGABMO C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(Cc2ccccn2)CC1 ZINC000019587717 571015813 /nfs/dbraw/zinc/01/58/13/571015813.db2.gz LYNQTSDWKQEHQI-XMSQKQJNSA-N 1 1 396.510 3.392 40 0 GGABMO COc1cc(CCC(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@H+]3C)on1 ZINC000019589076 571016366 /nfs/dbraw/zinc/01/63/66/571016366.db2.gz ORQYJMISACZHBW-MZKRTTBSSA-N 1 1 397.519 3.485 40 0 GGABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)c4cc5cc(F)ccc5[nH]4)C3)ncc2C1 ZINC000019590438 571017948 /nfs/dbraw/zinc/01/79/48/571017948.db2.gz JHARVZIFONIOCS-CQSZACIVSA-N 1 1 393.466 3.105 40 0 GGABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)c4csc5c4CCCC5)C3)ncc2C1 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397.548 3.497 40 0 GGABMO Cc1ccc2nc(C3CC[NH+](Cc4ccc5c(c4)n(C)c(=O)n5C)CC3)[nH]c2c1 ZINC000019657903 571024509 /nfs/dbraw/zinc/02/45/09/571024509.db2.gz OVRFJPQGXIMPPW-UHFFFAOYSA-N 1 1 389.503 3.441 40 0 GGABMO Clc1cc(C[NH+]2CCC(Oc3cnccn3)CC2)cc2c1OCCCO2 ZINC000019658795 571024958 /nfs/dbraw/zinc/02/49/58/571024958.db2.gz NCDCOLQOBDSEBW-UHFFFAOYSA-N 1 1 375.856 3.335 40 0 GGABMO O=C(C[N@@H+]1CCC[C@@H](c2ccc(-c3cc[nH]n3)cn2)C1)Nc1ccc(F)cc1 ZINC000019688625 571028614 /nfs/dbraw/zinc/02/86/14/571028614.db2.gz FSWJJDRENPMKSO-MRXNPFEDSA-N 1 1 379.439 3.429 40 0 GGABMO O=C(C[N@H+]1CCC[C@@H](c2ccc(-c3cc[nH]n3)cn2)C1)Nc1ccc(F)cc1 ZINC000019688625 571028617 /nfs/dbraw/zinc/02/86/17/571028617.db2.gz FSWJJDRENPMKSO-MRXNPFEDSA-N 1 1 379.439 3.429 40 0 GGABMO CCCc1cc(C(=O)N2CCC[C@H]2c2cc(N3CCN(C)CC3)cc(C)[nH+]2)no1 ZINC000019698347 571031020 /nfs/dbraw/zinc/03/10/20/571031020.db2.gz SGRNAKIWJDPEEI-NRFANRHFSA-N 1 1 397.523 3.060 40 0 GGABMO CCn1ccc(NC(=O)c2ccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)nc2)n1 ZINC000019706015 571031930 /nfs/dbraw/zinc/03/19/30/571031930.db2.gz VKQSVZCJCCHLFC-GOSISDBHSA-N 1 1 390.491 3.325 40 0 GGABMO Cn1nc([C@H]2CCCCN2S(=O)(=O)c2cccc(Cl)c2)cc1C[NH+](C)C ZINC000019709185 571033671 /nfs/dbraw/zinc/03/36/71/571033671.db2.gz VQZFFWCQZXZQMZ-GOSISDBHSA-N 1 1 396.944 3.051 40 0 GGABMO Cn1nc([C@@H]2CCCCN2S(=O)(=O)c2cccc(Cl)c2)cc1C[NH+](C)C ZINC000019709184 571033871 /nfs/dbraw/zinc/03/38/71/571033871.db2.gz VQZFFWCQZXZQMZ-SFHVURJKSA-N 1 1 396.944 3.051 40 0 GGABMO Cn1nc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)cc1C[NH+](C)C ZINC000019710064 571034238 /nfs/dbraw/zinc/03/42/38/571034238.db2.gz KPIKXEFHQLBVRN-IBGZPJMESA-N 1 1 397.454 3.253 40 0 GGABMO CCn1cc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3nc4cc(F)ccc4[nH]3)C2)c(C)n1 ZINC000019715569 571037492 /nfs/dbraw/zinc/03/74/92/571037492.db2.gz RNIYKICLCANQOH-HNNXBMFYSA-N 1 1 398.486 3.120 40 0 GGABMO CCn1cc(NC(=O)C[N@H+]2CCC[C@@H](Cc3nc4cc(F)ccc4[nH]3)C2)c(C)n1 ZINC000019715569 571037495 /nfs/dbraw/zinc/03/74/95/571037495.db2.gz RNIYKICLCANQOH-HNNXBMFYSA-N 1 1 398.486 3.120 40 0 GGABMO CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C)C2)c1C ZINC000019715426 571037533 /nfs/dbraw/zinc/03/75/33/571037533.db2.gz XLDDKOKCJJPZRF-QGZVFWFLSA-N 1 1 394.523 3.225 40 0 GGABMO CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4n3C)C2)c1C ZINC000019715426 571037535 /nfs/dbraw/zinc/03/75/35/571037535.db2.gz XLDDKOKCJJPZRF-QGZVFWFLSA-N 1 1 394.523 3.225 40 0 GGABMO C[N@@H+](Cc1ccc(N2CCCC2=O)cc1)Cc1ccccc1N1CCOCC1 ZINC000019715902 571037749 /nfs/dbraw/zinc/03/77/49/571037749.db2.gz QEPMWYNVBAPBQC-UHFFFAOYSA-N 1 1 379.504 3.282 40 0 GGABMO COc1ccc(C2(CNC(=O)[C@H]3CC[N@H+]3C3CCCCC3)CCOCC2)cc1 ZINC000019717668 571040579 /nfs/dbraw/zinc/04/05/79/571040579.db2.gz KXZAZSODJUNMCW-OAQYLSRUSA-N 1 1 386.536 3.267 40 0 GGABMO C[N@H+]1CCCC[C@H]1CC(=O)Nc1ccc(N2CCCC2)c(C(=O)N2CCCC2)c1 ZINC000019717625 571040657 /nfs/dbraw/zinc/04/06/57/571040657.db2.gz IUWUAFVHVYYSNA-IBGZPJMESA-N 1 1 398.551 3.336 40 0 GGABMO Cc1c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)sc2[nH]cnc(=O)c12 ZINC000019717836 571040866 /nfs/dbraw/zinc/04/08/66/571040866.db2.gz KXVUHPKLKMJOMZ-INIZCTEOSA-N 1 1 396.516 3.168 40 0 GGABMO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000095532912 571093725 /nfs/dbraw/zinc/09/37/25/571093725.db2.gz QMLWWGIZZNRUFZ-JVNMPXIPSA-N 1 1 386.580 3.397 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccc(OC)c4)C3=O)C2)cc1 ZINC000096050663 571097115 /nfs/dbraw/zinc/09/71/15/571097115.db2.gz VZQXSTLDXKBPTN-QHCPKHFHSA-N 1 1 380.488 3.328 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)cc1 ZINC000096050777 571097250 /nfs/dbraw/zinc/09/72/50/571097250.db2.gz QNCDSVSXVLFAIC-QFIPXVFZSA-N 1 1 380.444 3.053 40 0 GGABMO COc1ccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4cccnc4)CO3)CC2)cc1 ZINC000096047986 571097366 /nfs/dbraw/zinc/09/73/66/571097366.db2.gz SOXVLUMUHDHLFM-OAQYLSRUSA-N 1 1 381.520 3.346 40 0 GGABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccoc1)CCC2 ZINC000096056075 571097990 /nfs/dbraw/zinc/09/79/90/571097990.db2.gz PRIQHHPIWVCDFD-REWPJTCUSA-N 1 1 397.519 3.260 40 0 GGABMO CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1ccoc1)CCC2 ZINC000096056075 571097991 /nfs/dbraw/zinc/09/79/91/571097991.db2.gz PRIQHHPIWVCDFD-REWPJTCUSA-N 1 1 397.519 3.260 40 0 GGABMO CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096056075 571097993 /nfs/dbraw/zinc/09/79/93/571097993.db2.gz PRIQHHPIWVCDFD-REWPJTCUSA-N 1 1 397.519 3.260 40 0 GGABMO CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1CN(Cc1nccs1)CCC2 ZINC000096056030 571098051 /nfs/dbraw/zinc/09/80/51/571098051.db2.gz JHUARBGNARETKJ-PXNSSMCTSA-N 1 1 389.521 3.013 40 0 GGABMO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@@H+](Cc1cccs1)CCC2 ZINC000096056038 571098093 /nfs/dbraw/zinc/09/80/93/571098093.db2.gz ZJEHKNVNNHJRDB-UWJYYQICSA-N 1 1 385.533 3.425 40 0 GGABMO COC(=O)CCC(=O)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096071314 571098401 /nfs/dbraw/zinc/09/84/01/571098401.db2.gz IWVZJHZMFFHJNR-FQEVSTJZSA-N 1 1 378.900 3.250 40 0 GGABMO CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)CCC2 ZINC000096056128 571098534 /nfs/dbraw/zinc/09/85/34/571098534.db2.gz QUODAOVJMBUNGX-CVDCTZTESA-N 1 1 396.510 3.028 40 0 GGABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3ccccc3)cc2)CC1 ZINC000006953583 1398576840 /nfs/dbraw/zinc/57/68/40/1398576840.db2.gz KAUNQGKPBYKMBW-UHFFFAOYSA-N 1 1 383.517 3.017 40 0 GGABMO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)nc12 ZINC000008073996 1398800330 /nfs/dbraw/zinc/80/03/30/1398800330.db2.gz TUMLIDCVFVGMNB-SFHVURJKSA-N 1 1 377.444 3.111 40 0 GGABMO Cc1csc2nc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc(=O)n12 ZINC000008327707 1398823840 /nfs/dbraw/zinc/82/38/40/1398823840.db2.gz HAMIGHBSWAEHKK-MRXNPFEDSA-N 1 1 383.473 3.173 40 0 GGABMO Cc1csc2nc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc(=O)n12 ZINC000008327707 1398823842 /nfs/dbraw/zinc/82/38/42/1398823842.db2.gz HAMIGHBSWAEHKK-MRXNPFEDSA-N 1 1 383.473 3.173 40 0 GGABMO Cc1ccc(NC(=O)COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000008369160 1398827021 /nfs/dbraw/zinc/82/70/21/1398827021.db2.gz FGJMXDGDCQAJTP-UHFFFAOYSA-N 1 1 397.544 3.244 40 0 GGABMO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000008532564 1398837730 /nfs/dbraw/zinc/83/77/30/1398837730.db2.gz RTXYVMUHQAQEIA-HNNXBMFYSA-N 1 1 389.883 3.065 40 0 GGABMO COc1ccccc1CNC(=O)c1cc([C@H]2CC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000019707776 1399335313 /nfs/dbraw/zinc/33/53/13/1399335313.db2.gz BRJHZZFHDHCEAO-IBGZPJMESA-N 1 1 390.487 3.338 40 0 GGABMO CN(C)c1ncccc1C[N@H+]1CC[C@H](c2cc(COc3ccccc3)[nH]n2)C1 ZINC000019704290 1399335408 /nfs/dbraw/zinc/33/54/08/1399335408.db2.gz ILARHSQAHZLPPI-KRWDZBQOSA-N 1 1 377.492 3.439 40 0 GGABMO CN(C)c1ncccc1C[N@@H+]1CC[C@H](c2cc(COc3ccccc3)n[nH]2)C1 ZINC000019704290 1399335413 /nfs/dbraw/zinc/33/54/13/1399335413.db2.gz ILARHSQAHZLPPI-KRWDZBQOSA-N 1 1 377.492 3.439 40 0 GGABMO CN(C)c1ncccc1C[N@H+]1CC[C@H](c2cc(COc3ccccc3)n[nH]2)C1 ZINC000019704290 1399335416 /nfs/dbraw/zinc/33/54/16/1399335416.db2.gz ILARHSQAHZLPPI-KRWDZBQOSA-N 1 1 377.492 3.439 40 0 GGABMO Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCN(C(=O)CC3CCCCC3)C2)[nH+]1 ZINC000019705308 1399335580 /nfs/dbraw/zinc/33/55/80/1399335580.db2.gz UPOAAUGRDVWUAP-HXUWFJFHSA-N 1 1 384.568 3.428 40 0 GGABMO CN(C)C(=O)c1cc([C@H]2CC[N@@H+](Cc3ccc(OC4CCCC4)cc3)C2)n[nH]1 ZINC000019707670 1399335668 /nfs/dbraw/zinc/33/56/68/1399335668.db2.gz CWCWTMZXJWANPI-KRWDZBQOSA-N 1 1 382.508 3.422 40 0 GGABMO CN(C)C(=O)c1cc([C@H]2CC[N@H+](Cc3ccc(OC4CCCC4)cc3)C2)[nH]n1 ZINC000019707670 1399335674 /nfs/dbraw/zinc/33/56/74/1399335674.db2.gz CWCWTMZXJWANPI-KRWDZBQOSA-N 1 1 382.508 3.422 40 0 GGABMO CN(C)C(=O)c1cc([C@H]2CC[N@@H+](Cc3ccc(OC4CCCC4)cc3)C2)[nH]n1 ZINC000019707670 1399335676 /nfs/dbraw/zinc/33/56/76/1399335676.db2.gz CWCWTMZXJWANPI-KRWDZBQOSA-N 1 1 382.508 3.422 40 0 GGABMO CC(=O)N1CCC[C@H](c2nnc3n2CC[N@H+](Cc2ccc(C(C)C)cc2)CC3)C1 ZINC000019709532 1399336124 /nfs/dbraw/zinc/33/61/24/1399336124.db2.gz SWHTUNLVNFYNSB-NRFANRHFSA-N 1 1 395.551 3.186 40 0 GGABMO COc1ccc(C[N@H+]2CCCCC[C@@H]3[C@@H]2CCN3C(C)=O)cc1Cn1cccn1 ZINC000019712354 1399336312 /nfs/dbraw/zinc/33/63/12/1399336312.db2.gz CWUMBFDVZWOHFI-FCHUYYIVSA-N 1 1 396.535 3.305 40 0 GGABMO CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(C[N@@H+](C)Cc3cnn(C)c3)cc2)C1 ZINC000019711943 1399336398 /nfs/dbraw/zinc/33/63/98/1399336398.db2.gz CCSVOQHZCKJNSY-YADHBBJMSA-N 1 1 384.524 3.141 40 0 GGABMO Cc1nc(N)ncc1C(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019712903 1399336545 /nfs/dbraw/zinc/33/65/45/1399336545.db2.gz TUPMQLWJCPSDRE-NRSPTQNISA-N 1 1 393.535 3.067 40 0 GGABMO CC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)[N@@H+]2Cc1cnn(C)c1 ZINC000019712895 1399336802 /nfs/dbraw/zinc/33/68/02/1399336802.db2.gz GOMVCDXKENKHRQ-ZLNRFVROSA-N 1 1 380.536 3.397 40 0 GGABMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CCOC(C)(C)C1)[N@H+](C)CC3)OCO2 ZINC000020111776 1399342928 /nfs/dbraw/zinc/34/29/28/1399342928.db2.gz YHFYSFSWQZPERA-CABCVRRESA-N 1 1 375.465 3.117 40 0 biogenic GGABMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CCOC(C)(C)C1)[N@@H+](C)CC3)OCO2 ZINC000020111776 1399342934 /nfs/dbraw/zinc/34/29/34/1399342934.db2.gz YHFYSFSWQZPERA-CABCVRRESA-N 1 1 375.465 3.117 40 0 biogenic GGABMO COc1c2c(cc3c1[C@@H](CC(=O)[C@@H]1CCOC(C)(C)C1)[N@H+](C)CC3)OCO2 ZINC000020111778 1399343147 /nfs/dbraw/zinc/34/31/47/1399343147.db2.gz YHFYSFSWQZPERA-HUUCEWRRSA-N 1 1 375.465 3.117 40 0 biogenic GGABMO COc1c2c(cc3c1[C@@H](CC(=O)[C@@H]1CCOC(C)(C)C1)[N@@H+](C)CC3)OCO2 ZINC000020111778 1399343155 /nfs/dbraw/zinc/34/31/55/1399343155.db2.gz YHFYSFSWQZPERA-HUUCEWRRSA-N 1 1 375.465 3.117 40 0 biogenic GGABMO CC(C)NC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000025233489 1399777650 /nfs/dbraw/zinc/77/76/50/1399777650.db2.gz VDNHIRVTQXPZME-DLBZAZTESA-N 1 1 398.482 3.137 40 0 biogenic,in-vitro GGABMO CCOC(=O)C1=C(C[N@@H+](C)C2CCCCCC2)NC(=O)N[C@@H]1c1ccco1 ZINC000029146762 1400247899 /nfs/dbraw/zinc/24/78/99/1400247899.db2.gz HQHQVYGVBUWJSO-GOSISDBHSA-N 1 1 375.469 3.105 40 0 GGABMO O=C(Cc1c(F)cccc1Cl)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047227683 1404755373 /nfs/dbraw/zinc/75/53/73/1404755373.db2.gz QGRMRYFTLAHEHE-UHFFFAOYSA-N 1 1 376.859 3.170 40 0 GGABMO C[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048885324 1405316196 /nfs/dbraw/zinc/31/61/96/1405316196.db2.gz PWDSQWIQIVLANH-FGTMMUONSA-N 1 1 397.519 3.192 40 0 GGABMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000057296948 1407582420 /nfs/dbraw/zinc/58/24/20/1407582420.db2.gz XWSYGJTWRYFJAJ-CABCVRRESA-N 1 1 389.446 3.376 40 0 GGABMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2C)c(=O)n(-c2ccccc2)n1C ZINC000057530600 1407643839 /nfs/dbraw/zinc/64/38/39/1407643839.db2.gz QBGSKIKPZPIQQB-GOSISDBHSA-N 1 1 392.503 3.252 40 0 GGABMO CCOc1cc(-c2nnc([C@H]([NH3+])c3ccc(OC)c(OCC)c3)[nH]2)ccc1OC ZINC000095534486 1410315615 /nfs/dbraw/zinc/31/56/15/1410315615.db2.gz IDLCLWDOGSJNEA-LJQANCHMSA-N 1 1 398.463 3.334 40 0 GGABMO CC(C)n1cc2c3c1cccc3[C@H]1C[C@H](C(=O)N[C@@H]3CCC[C@@H]3O)C[N@@H+](C)[C@H]1C2 ZINC000100308366 1410437720 /nfs/dbraw/zinc/43/77/20/1410437720.db2.gz IMSDOBUYDTVEHN-DUYZSDFPSA-N 1 1 395.547 3.212 40 0 GGABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242688012 1433447139 /nfs/dbraw/zinc/44/71/39/1433447139.db2.gz VCSUKTCYPJFIGQ-OTWHNJEPSA-N 1 1 395.908 3.022 40 0 GGABMO C[N@@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(Cc2cccnc2)CC1 ZINC000248145655 1433774243 /nfs/dbraw/zinc/77/42/43/1433774243.db2.gz RVUVEZYQAZZSAE-UGKGYDQZSA-N 1 1 396.510 3.392 40 0 GGABMO C[N@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(Cc2cccnc2)CC1 ZINC000248145655 1433774249 /nfs/dbraw/zinc/77/42/49/1433774249.db2.gz RVUVEZYQAZZSAE-UGKGYDQZSA-N 1 1 396.510 3.392 40 0 GGABMO Cn1cc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cn1 ZINC000248158933 1433775918 /nfs/dbraw/zinc/77/59/18/1433775918.db2.gz WPJVPLNXOSYJGA-YLJYHZDGSA-N 1 1 395.532 3.260 40 0 GGABMO C[C@@H]1Cc2cc(C(=O)C[N@H+]3CC[C@H]4CCCC[C@H]4C3)ccc2N1S(C)(=O)=O ZINC000253594185 1433869782 /nfs/dbraw/zinc/86/97/82/1433869782.db2.gz QZLWDXXRMHANNG-NUJGCVRESA-N 1 1 390.549 3.092 40 0 GGABMO COc1ccccc1[C@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000253593891 1433869800 /nfs/dbraw/zinc/86/98/00/1433869800.db2.gz CCBLBOIKWDHIQR-LQNXUBFPSA-N 1 1 383.488 3.036 40 0 GGABMO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000241383498 231039298 /nfs/dbraw/zinc/03/92/98/231039298.db2.gz MVUTYBPAOJGUCR-KSZLIROESA-N 1 1 384.314 3.143 40 0 GGABMO COc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000004237281 291128330 /nfs/dbraw/zinc/12/83/30/291128330.db2.gz QMPWJDMMXRJKFY-PKOBYXMFSA-N 1 1 393.531 3.037 40 0 biogenic,in-vitro GGABMO CCn1cc(-c2cc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)c3ccccc3n2)cn1 ZINC000002809128 209115978 /nfs/dbraw/zinc/11/59/78/209115978.db2.gz GZPNMZRZDTZDOD-QGZVFWFLSA-N 1 1 375.476 3.038 40 0 GGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccncc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306143469 209109389 /nfs/dbraw/zinc/10/93/89/209109389.db2.gz YCZUELUXYWMNCB-OFNKIYASSA-N 1 1 393.535 3.087 40 0 GGABMO Fc1ccc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306142812 209109193 /nfs/dbraw/zinc/10/91/93/209109193.db2.gz XKPXEKUAJOVTDL-SFHVURJKSA-N 1 1 395.482 3.085 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306142075 209108990 /nfs/dbraw/zinc/10/89/90/209108990.db2.gz WOUFBGWMUNOTOO-LEWJYISDSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306142075 209108996 /nfs/dbraw/zinc/10/89/96/209108996.db2.gz WOUFBGWMUNOTOO-LEWJYISDSA-N 1 1 376.435 3.104 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@]3(C2)COCC[C@H]3NC(=O)Cc2ccccc2)cc1 ZINC000306144702 209108683 /nfs/dbraw/zinc/10/86/83/209108683.db2.gz ZMNLKWUIJXDTHN-VWNXMTODSA-N 1 1 394.515 3.035 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306142816 209108228 /nfs/dbraw/zinc/10/82/28/209108228.db2.gz XKRACPUMPIDHHU-SFTDATJTSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306142816 209108231 /nfs/dbraw/zinc/10/82/31/209108231.db2.gz XKRACPUMPIDHHU-SFTDATJTSA-N 1 1 376.435 3.104 40 0 GGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccncc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306143468 209107759 /nfs/dbraw/zinc/10/77/59/209107759.db2.gz YCZUELUXYWMNCB-NZQKXSOJSA-N 1 1 393.535 3.087 40 0 GGABMO Fc1ccccc1C[N@H+]1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306145164 209107623 /nfs/dbraw/zinc/10/76/23/209107623.db2.gz ZZVGRIGYJVIAJR-SFHVURJKSA-N 1 1 395.482 3.085 40 0 GGABMO COc1ccc(-c2cnc3n2C[C@H]2C[N@H+](Cc4cccnc4OC)C[C@H]2C3)cc1 ZINC000306143811 209107445 /nfs/dbraw/zinc/10/74/45/209107445.db2.gz YNHLGPJMOVEZLT-RTBURBONSA-N 1 1 390.487 3.267 40 0 GGABMO CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)C[N@@H+](CCO)Cc1ccccc1)C2 ZINC000035075015 206257741 /nfs/dbraw/zinc/25/77/41/206257741.db2.gz XDIUUVWHZNDBSJ-NNXSRULWSA-N 1 1 375.553 3.463 40 0 GGABMO CCSc1nnc([C@H]2CCC[N@H+](CC(=O)N3CCCc4ccccc43)C2)n1C ZINC000005001432 206262724 /nfs/dbraw/zinc/26/27/24/206262724.db2.gz DVDFZQWVXLVBLA-KRWDZBQOSA-N 1 1 399.564 3.086 40 0 GGABMO CCSc1nnc([C@H]2CCC[N@@H+](CC(=O)N3CCCc4ccccc43)C2)n1C ZINC000005001432 206262727 /nfs/dbraw/zinc/26/27/27/206262727.db2.gz DVDFZQWVXLVBLA-KRWDZBQOSA-N 1 1 399.564 3.086 40 0 GGABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@H+](CC3CCCCC3)C[C@@H]1C2 ZINC000306140088 209107093 /nfs/dbraw/zinc/10/70/93/209107093.db2.gz UJRAGGBDZYZSJO-DLBZAZTESA-N 1 1 397.498 3.354 40 0 GGABMO Cc1ccsc1C[N@H+]1C[C@H]2[C@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 ZINC000306139227 209107077 /nfs/dbraw/zinc/10/70/77/209107077.db2.gz SSMZVMPVKAGDBS-OALUTQOASA-N 1 1 378.501 3.335 40 0 GGABMO COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)c4ccccc4)CCN3C(C)(C)C2)cc1 ZINC000253396286 206281137 /nfs/dbraw/zinc/28/11/37/206281137.db2.gz DNPCHBRYNABFQY-OAQYLSRUSA-N 1 1 393.531 3.116 40 0 biogenic,in-vitro GGABMO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCN21 ZINC000253399036 206283538 /nfs/dbraw/zinc/28/35/38/206283538.db2.gz IAOJCFKSMPMZSC-IBGZPJMESA-N 1 1 399.485 3.386 40 0 biogenic,in-vitro GGABMO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCN21 ZINC000253399036 206283541 /nfs/dbraw/zinc/28/35/41/206283541.db2.gz IAOJCFKSMPMZSC-IBGZPJMESA-N 1 1 399.485 3.386 40 0 biogenic,in-vitro GGABMO COCC(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1csc3ccccc13)CCO2 ZINC000306138865 209106669 /nfs/dbraw/zinc/10/66/69/209106669.db2.gz SJPBPYSGFMLMAZ-PZJWPPBQSA-N 1 1 388.533 3.178 40 0 GGABMO Cc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)s1 ZINC000306141063 209106379 /nfs/dbraw/zinc/10/63/79/209106379.db2.gz VKNXKYZFYSPAKG-HOTGVXAUSA-N 1 1 393.516 3.205 40 0 GGABMO Cc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4cnn(C)c4)ccc2S3(=O)=O)c1 ZINC000306140124 209106315 /nfs/dbraw/zinc/10/63/15/209106315.db2.gz UKQPJGOGXJKFSU-IRLDBZIGSA-N 1 1 393.512 3.151 40 0 GGABMO Cc1cccc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4cnn(C)c4)ccc2S3(=O)=O)c1 ZINC000306140124 209106319 /nfs/dbraw/zinc/10/63/19/209106319.db2.gz UKQPJGOGXJKFSU-IRLDBZIGSA-N 1 1 393.512 3.151 40 0 GGABMO Cc1cccc(C[N@H+]2C[C@@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)c1 ZINC000306140123 209106336 /nfs/dbraw/zinc/10/63/36/209106336.db2.gz UKQPJGOGXJKFSU-IFMALSPDSA-N 1 1 393.512 3.151 40 0 GGABMO Cc1cccc(C[N@@H+]2C[C@@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)c1 ZINC000306140123 209106341 /nfs/dbraw/zinc/10/63/41/209106341.db2.gz UKQPJGOGXJKFSU-IFMALSPDSA-N 1 1 393.512 3.151 40 0 GGABMO Cc1cccc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306139556 209106286 /nfs/dbraw/zinc/10/62/86/209106286.db2.gz TUBKGIRNGRTHPR-FQEVSTJZSA-N 1 1 391.519 3.254 40 0 GGABMO O=C(C[C@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000012631622 206922051 /nfs/dbraw/zinc/92/20/51/206922051.db2.gz MZIKDLUMHDHRPV-HSALFYBXSA-N 1 1 379.460 3.207 40 0 GGABMO Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4cnn(C)c4)ccc2S3(=O)=O)s1 ZINC000306141613 209105854 /nfs/dbraw/zinc/10/58/54/209105854.db2.gz WCBGMPPXOHHASX-QUCCMNQESA-N 1 1 399.541 3.212 40 0 GGABMO Cc1ccc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4cnn(C)c4)ccc2S3(=O)=O)s1 ZINC000306141613 209105858 /nfs/dbraw/zinc/10/58/58/209105858.db2.gz WCBGMPPXOHHASX-QUCCMNQESA-N 1 1 399.541 3.212 40 0 GGABMO CN1CC[N@H+](Cc2cccnc2)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306141679 209105774 /nfs/dbraw/zinc/10/57/74/209105774.db2.gz WDQSFYOVRSGTGY-QFIPXVFZSA-N 1 1 384.487 3.280 40 0 GGABMO CN1CC[N@@H+](Cc2cccnc2)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306141679 209105776 /nfs/dbraw/zinc/10/57/76/209105776.db2.gz WDQSFYOVRSGTGY-QFIPXVFZSA-N 1 1 384.487 3.280 40 0 GGABMO CC(C)(C)OC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000014983778 207038066 /nfs/dbraw/zinc/03/80/66/207038066.db2.gz QQWWHPLYCKURHB-IAGOWNOFSA-N 1 1 391.512 3.289 40 0 GGABMO CCn1nc(C)c2c1nc(C)cc2C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036612082 207048762 /nfs/dbraw/zinc/04/87/62/207048762.db2.gz DINGDJZWICZPIU-UHFFFAOYSA-N 1 1 377.492 3.026 40 0 GGABMO C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217368 207095032 /nfs/dbraw/zinc/09/50/32/207095032.db2.gz AVRNAFGQXAHLRV-INIZCTEOSA-N 1 1 388.895 3.256 40 0 GGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)ncc2C1 ZINC000019018410 207099167 /nfs/dbraw/zinc/09/91/67/207099167.db2.gz DFNGQPPLYXDWAL-KRWDZBQOSA-N 1 1 384.911 3.414 40 0 GGABMO O=C(C1CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014799 207099952 /nfs/dbraw/zinc/09/99/52/207099952.db2.gz PVEWIGLFAIFTFU-HXUWFJFHSA-N 1 1 398.551 3.172 40 0 GGABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019235976 207109754 /nfs/dbraw/zinc/10/97/54/207109754.db2.gz ZBSHNDKJBLCOBQ-LJQANCHMSA-N 1 1 394.519 3.078 40 0 GGABMO CC(=O)NCCn1nc([C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c2cccnc21 ZINC000019021840 207101527 /nfs/dbraw/zinc/10/15/27/207101527.db2.gz HOUZKALNTDCHAP-KRWDZBQOSA-N 1 1 397.910 3.210 40 0 GGABMO COc1ccc(F)c(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)cc3-c3cc(C)no3)C2)c1 ZINC000019121171 207102241 /nfs/dbraw/zinc/10/22/41/207102241.db2.gz FFMYRZWCSTXJPU-CQSZACIVSA-N 1 1 398.438 3.261 40 0 GGABMO CC(C)(C)c1n[nH]cc1CN1CCC(O)(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000019083479 207102600 /nfs/dbraw/zinc/10/26/00/207102600.db2.gz LDQCEXFDVLPASU-UHFFFAOYSA-N 1 1 382.552 3.092 40 0 GGABMO CC(C)(C)c1n[nH]cc1CN1CCC(O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000019083479 207102603 /nfs/dbraw/zinc/10/26/03/207102603.db2.gz LDQCEXFDVLPASU-UHFFFAOYSA-N 1 1 382.552 3.092 40 0 GGABMO COc1cc(C)ccc1C[N@H+]1CC[C@@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 ZINC000019133873 207103948 /nfs/dbraw/zinc/10/39/48/207103948.db2.gz ZMXSPPAKGPQXPA-MRXNPFEDSA-N 1 1 376.460 3.138 40 0 GGABMO Cc1ccc([C@H](C)C(=O)N2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cc1 ZINC000019135849 207104042 /nfs/dbraw/zinc/10/40/42/207104042.db2.gz FIBBJIWLWLOSQR-KRWDZBQOSA-N 1 1 378.520 3.283 40 0 GGABMO Cc1ccc([C@@H](O)C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)c(C)c1 ZINC000019132516 207104459 /nfs/dbraw/zinc/10/44/59/207104459.db2.gz IPZBKHXSWGRMCZ-AWEZNQCLSA-N 1 1 386.443 3.029 40 0 GGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3CCCOc3ccc(C)cc3)ncc2C1 ZINC000019211029 207106491 /nfs/dbraw/zinc/10/64/91/207106491.db2.gz QMTVRKWIGHEQSX-QFIPXVFZSA-N 1 1 394.519 3.296 40 0 GGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+]3CCCOc3ccc(C)cc3)ncc2C1 ZINC000019211029 207106496 /nfs/dbraw/zinc/10/64/96/207106496.db2.gz QMTVRKWIGHEQSX-QFIPXVFZSA-N 1 1 394.519 3.296 40 0 GGABMO Cc1cccnc1[C@H](Cc1ccsc1)[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000019237661 207110584 /nfs/dbraw/zinc/11/05/84/207110584.db2.gz NKDQJIKJTYDXCG-IBGZPJMESA-N 1 1 395.532 3.152 40 0 GGABMO Cc1ccnn1CCC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@@H+]2C ZINC000019238480 207110598 /nfs/dbraw/zinc/11/05/98/207110598.db2.gz ZPNUGFCSHPSXAK-MQSCRBSSSA-N 1 1 380.536 3.451 40 0 GGABMO Cc1cc(-c2cnc(NCCC[NH+]3CCOCC3)nc2-c2ccc(C)o2)on1 ZINC000019216685 207107878 /nfs/dbraw/zinc/10/78/78/207107878.db2.gz CXXHZGFNTKHNAN-UHFFFAOYSA-N 1 1 383.452 3.143 40 0 GGABMO COc1c(C)cccc1C[N@H+]1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 ZINC000019235908 207109707 /nfs/dbraw/zinc/10/97/07/207109707.db2.gz PZNWIYFZWCLTBG-QGZVFWFLSA-N 1 1 376.460 3.138 40 0 GGABMO COCCOc1ccc(C[N@@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C2)cc1 ZINC000019237863 207111333 /nfs/dbraw/zinc/11/13/33/207111333.db2.gz FEKSQEWGJWJDGN-UNWVZKJWSA-N 1 1 382.504 3.145 40 0 GGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+]3CCCOc3ccccc3C)ncc2C1 ZINC000019237407 207111953 /nfs/dbraw/zinc/11/19/53/207111953.db2.gz KKDBRTWNYIZWNQ-OAQYLSRUSA-N 1 1 394.519 3.296 40 0 GGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@H+]3CCCOc3ccccc3C)ncc2C1 ZINC000019237407 207111958 /nfs/dbraw/zinc/11/19/58/207111958.db2.gz KKDBRTWNYIZWNQ-OAQYLSRUSA-N 1 1 394.519 3.296 40 0 GGABMO Cc1[nH+]ccn1[C@@H](C)CC(=O)NCCn1ncc(-c2ccncc2)c1C1CC1 ZINC000019287642 207112342 /nfs/dbraw/zinc/11/23/42/207112342.db2.gz JMPWBVUTOVJWOD-HNNXBMFYSA-N 1 1 378.480 3.095 40 0 GGABMO Cc1[nH+]ccn1CCC(=O)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019288051 207112604 /nfs/dbraw/zinc/11/26/04/207112604.db2.gz YTOBBRTYMAJRJC-HXUWFJFHSA-N 1 1 391.471 3.453 40 0 GGABMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccn(C(F)F)n3)ccc21 ZINC000019289832 207112926 /nfs/dbraw/zinc/11/29/26/207112926.db2.gz CQQQMGOAWBFYRL-UHFFFAOYSA-N 1 1 388.422 3.403 40 0 GGABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2onc(Nc3ccccc3F)c2C1 ZINC000019287716 207112948 /nfs/dbraw/zinc/11/29/48/207112948.db2.gz YIDZBRUDXXLJIG-CYBMUJFWSA-N 1 1 383.427 3.283 40 0 GGABMO Cn1nc(-c2ccc(F)cc2)cc1C[NH+]1CCC(NC(=O)c2cscn2)CC1 ZINC000019288919 207113586 /nfs/dbraw/zinc/11/35/86/207113586.db2.gz BJOSNVIUPORBKR-UHFFFAOYSA-N 1 1 399.495 3.077 40 0 GGABMO Cn1c2ccc(C[NH2+][C@@H](Cc3ccsc3)c3nccs3)cc2n(C)c1=O ZINC000019289806 207113785 /nfs/dbraw/zinc/11/37/85/207113785.db2.gz PSGXIROVEUPLKV-HNNXBMFYSA-N 1 1 384.530 3.469 40 0 GGABMO Cc1nc(C)n(CCC(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@@H+]3C)n1 ZINC000019285998 207113954 /nfs/dbraw/zinc/11/39/54/207113954.db2.gz BNVBUYQQCVWTGS-MQSCRBSSSA-N 1 1 395.551 3.154 40 0 GGABMO CC(C)Oc1cccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)c1 ZINC000019450903 207120900 /nfs/dbraw/zinc/12/09/00/207120900.db2.gz UFQDYJPLADHYQP-RJGXRXQPSA-N 1 1 380.532 3.336 40 0 GGABMO c1cncc(-c2cnc(N3CCCC3)nc2[C@@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)c1 ZINC000019340784 207117068 /nfs/dbraw/zinc/11/70/68/207117068.db2.gz WKXBNMQHGGUYAL-AZUAARDMSA-N 1 1 393.535 3.355 40 0 GGABMO c1cncc(-c2cnc(N3CCCC3)nc2[C@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)c1 ZINC000019340789 207117384 /nfs/dbraw/zinc/11/73/84/207117384.db2.gz WKXBNMQHGGUYAL-ICSRJNTNSA-N 1 1 393.535 3.355 40 0 GGABMO c1ccc2c(C[N@@H+](CCCN3CCOCC3)Cc3cccnc3)ccnc2c1 ZINC000019376053 207119330 /nfs/dbraw/zinc/11/93/30/207119330.db2.gz GIONNEITLGKDIY-UHFFFAOYSA-N 1 1 376.504 3.354 40 0 GGABMO O=C(C[NH+]1CCC(c2ccnc3nc4ccccc4n32)CC1)Nc1ccccn1 ZINC000019376664 207119760 /nfs/dbraw/zinc/11/97/60/207119760.db2.gz GOZPNJDBTLMOJE-UHFFFAOYSA-N 1 1 386.459 3.096 40 0 GGABMO O=C1N[C@@]2(CC[N@@H+](Cc3cc4c(cc3Cl)OCO4)C2)CCc2ccccc21 ZINC000019375232 207119979 /nfs/dbraw/zinc/11/99/79/207119979.db2.gz YGHXIQZNFWKSKA-OAQYLSRUSA-N 1 1 384.863 3.389 40 0 GGABMO O=C1N[C@@]2(CC[N@H+](Cc3cc4c(cc3Cl)OCO4)C2)CCc2ccccc21 ZINC000019375232 207119982 /nfs/dbraw/zinc/11/99/82/207119982.db2.gz YGHXIQZNFWKSKA-OAQYLSRUSA-N 1 1 384.863 3.389 40 0 GGABMO CC(=O)N1CCC(c2ncc3c(n2)CC[N@H+](C[C@@H](C)c2ccccc2)C3)CC1 ZINC000019456399 207123725 /nfs/dbraw/zinc/12/37/25/207123725.db2.gz QECOHRCNTQVKDB-QGZVFWFLSA-N 1 1 378.520 3.364 40 0 GGABMO C[C@@H]1C[C@H](C)C[N@H+](CCNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)C1 ZINC000019462573 207123947 /nfs/dbraw/zinc/12/39/47/207123947.db2.gz BDYPUITYUCIVNT-CALCHBBNSA-N 1 1 396.535 3.232 40 0 GGABMO C[C@@H]1C[N@H+](CCC(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)C[C@H](C)O1 ZINC000019497501 207125128 /nfs/dbraw/zinc/12/51/28/207125128.db2.gz ABIRWLQPCALRDR-SCTDSRPQSA-N 1 1 396.535 3.022 40 0 GGABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CC4)[nH]c(=O)c3C2)CC1 ZINC000019495973 207125174 /nfs/dbraw/zinc/12/51/74/207125174.db2.gz DWDDHBCGBTYEBV-KJXMEXGPSA-N 1 1 384.524 3.193 40 0 GGABMO CCOc1ccccc1C(=O)N1CCCC[C@H]2C[N@H+](Cc3cnc(C)nc3)C[C@H]21 ZINC000019520112 207126879 /nfs/dbraw/zinc/12/68/79/207126879.db2.gz WQNOTCWTNZLJTG-PZJWPPBQSA-N 1 1 394.519 3.310 40 0 GGABMO CCOc1ccccc1C(=O)N1CCCC[C@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@H]21 ZINC000019520112 207126884 /nfs/dbraw/zinc/12/68/84/207126884.db2.gz WQNOTCWTNZLJTG-PZJWPPBQSA-N 1 1 394.519 3.310 40 0 GGABMO CCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3c(C)nc4ccccn43)C2)no1 ZINC000019503668 207127349 /nfs/dbraw/zinc/12/73/49/207127349.db2.gz KMOAFEWLYOAMED-INIZCTEOSA-N 1 1 381.480 3.150 40 0 GGABMO CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1C ZINC000019523857 207128535 /nfs/dbraw/zinc/12/85/35/207128535.db2.gz LUXUKFMKJKHYDW-MRXNPFEDSA-N 1 1 380.496 3.214 40 0 GGABMO CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1C ZINC000019523857 207128542 /nfs/dbraw/zinc/12/85/42/207128542.db2.gz LUXUKFMKJKHYDW-MRXNPFEDSA-N 1 1 380.496 3.214 40 0 GGABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccnn1[C@@H]1CCCCO1)Cc1cccnc1 ZINC000019527194 207128634 /nfs/dbraw/zinc/12/86/34/207128634.db2.gz DHVVKSGVYXWJFQ-UNMCSNQZSA-N 1 1 383.540 3.464 40 0 GGABMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)ccc1OC(F)F ZINC000019550116 207130190 /nfs/dbraw/zinc/13/01/90/207130190.db2.gz QYURNUVEQFFWMA-MRUHUIDDSA-N 1 1 390.430 3.421 40 0 GGABMO COc1ccc(OC)c([C@@H](O)C[NH+]2CCN(c3nsc4ccccc43)CC2)c1 ZINC000019551178 207130523 /nfs/dbraw/zinc/13/05/23/207130523.db2.gz RYSOCOQQDKWOJN-SFHVURJKSA-N 1 1 399.516 3.169 40 0 GGABMO CCOc1cc2c(cc1C[N@@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1nccn1C)CCC2 ZINC000019532409 207130731 /nfs/dbraw/zinc/13/07/31/207130731.db2.gz HQKBAZLBPXQUEI-SVGJNIJCSA-N 1 1 395.547 3.427 40 0 GGABMO O=c1cc([C@@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)nc(-c2ccccn2)[nH]1 ZINC000019402764 207121050 /nfs/dbraw/zinc/12/10/50/207121050.db2.gz NFVSKUNPNIEMCV-OAHLLOKOSA-N 1 1 382.414 3.490 40 0 GGABMO CC(C)Oc1ccc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cc1 ZINC000019450666 207121602 /nfs/dbraw/zinc/12/16/02/207121602.db2.gz LOPTWGSJJXPERL-UHFFFAOYSA-N 1 1 376.460 3.177 40 0 GGABMO CC(C)Oc1cccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2Cc2ccccc2)c1 ZINC000019450905 207122000 /nfs/dbraw/zinc/12/20/00/207122000.db2.gz UFQDYJPLADHYQP-XPWALMASSA-N 1 1 380.532 3.336 40 0 GGABMO O=c1cc([C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)nc(-c2ccccn2)[nH]1 ZINC000019402775 207122046 /nfs/dbraw/zinc/12/20/46/207122046.db2.gz KSUIXAOQQUJBDR-CQSZACIVSA-N 1 1 382.414 3.490 40 0 GGABMO O=c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)nc(-c2ccccn2)[nH]1 ZINC000019402770 207122144 /nfs/dbraw/zinc/12/21/44/207122144.db2.gz AICBSQGNXUYSHO-OAHLLOKOSA-N 1 1 382.414 3.490 40 0 GGABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1C2=O ZINC000019450004 207122610 /nfs/dbraw/zinc/12/26/10/207122610.db2.gz KGZYARLRMUTUAQ-XUZZJYLKSA-N 1 1 376.500 3.459 40 0 GGABMO COc1ccc2nc(C[N@H+]3CC[C@@H](c4nnc(-c5cnccn5)o4)C3)ccc2c1 ZINC000019563677 207134045 /nfs/dbraw/zinc/13/40/45/207134045.db2.gz VHMJCHROPRVZIG-OAHLLOKOSA-N 1 1 388.431 3.073 40 0 GGABMO COc1ccc2c(c1)C=C(C[N@H+]1C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C1)CO2 ZINC000019562285 207134581 /nfs/dbraw/zinc/13/45/81/207134581.db2.gz RCDBROWAZZRCQN-WGGBDISSSA-N 1 1 378.472 3.096 40 0 GGABMO COc1cccc(C[N@@H+](Cc2ccnc(N3CCCC3)n2)C[C@@H]2CCCO2)c1 ZINC000019564653 207135187 /nfs/dbraw/zinc/13/51/87/207135187.db2.gz HFWXEJBBBJHLOK-NRFANRHFSA-N 1 1 382.508 3.267 40 0 GGABMO COc1cccc(C[N@H+](Cc2ccnc(N3CCCC3)n2)C[C@@H]2CCCO2)c1 ZINC000019564653 207135189 /nfs/dbraw/zinc/13/51/89/207135189.db2.gz HFWXEJBBBJHLOK-NRFANRHFSA-N 1 1 382.508 3.267 40 0 GGABMO COc1cc(C)c(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc1OC ZINC000019567082 207136084 /nfs/dbraw/zinc/13/60/84/207136084.db2.gz JIGNWCVJWXVNJF-MRXNPFEDSA-N 1 1 395.507 3.325 40 0 GGABMO COc1cccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 ZINC000019565168 207136407 /nfs/dbraw/zinc/13/64/07/207136407.db2.gz FGYPWSZFSVLLMM-GOSISDBHSA-N 1 1 376.460 3.220 40 0 GGABMO COc1cc(C)c(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1C ZINC000019567252 207136446 /nfs/dbraw/zinc/13/64/46/207136446.db2.gz GSJOKQOUXOXVDU-GOSISDBHSA-N 1 1 390.487 3.447 40 0 GGABMO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019565342 207136628 /nfs/dbraw/zinc/13/66/28/207136628.db2.gz XRNDRDHWSVNRJP-CQSZACIVSA-N 1 1 393.466 3.023 40 0 GGABMO COc1cc(C)c(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc1C ZINC000019567255 207136758 /nfs/dbraw/zinc/13/67/58/207136758.db2.gz GSJOKQOUXOXVDU-SFHVURJKSA-N 1 1 390.487 3.447 40 0 GGABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cn(CC(=O)NC2CCCC2)c2ccccc12 ZINC000019575814 207138866 /nfs/dbraw/zinc/13/88/66/207138866.db2.gz UZNIVCOHSNRCAD-RXVVDRJESA-N 1 1 394.563 3.369 40 0 GGABMO C[NH+](C)[C@@H](CNC(=O)c1cc(C2CCOCC2)c2cnccc2n1)c1ccco1 ZINC000019581483 207139104 /nfs/dbraw/zinc/13/91/04/207139104.db2.gz OPDLDAZBPSNWCI-FQEVSTJZSA-N 1 1 394.475 3.150 40 0 GGABMO C[NH+](C)C1CCC2(CC1)CN(C(=O)CN1CCCCC1)Cc1ccccc1O2 ZINC000019583908 207139711 /nfs/dbraw/zinc/13/97/11/207139711.db2.gz HJHRZBYVOQCOFA-UHFFFAOYSA-N 1 1 385.552 3.137 40 0 GGABMO Cc1nc2ccccn2c1C[N@H+]1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019555020 207132392 /nfs/dbraw/zinc/13/23/92/207132392.db2.gz VKJGIVOMGIIMAD-FDDCHVKYSA-N 1 1 389.503 3.066 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c(F)c1 ZINC000019551775 207132408 /nfs/dbraw/zinc/13/24/08/207132408.db2.gz RHFNXIVBYOADSS-QGZVFWFLSA-N 1 1 394.450 3.359 40 0 GGABMO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCC[N@@H+]2CC(=O)NC2CCCCC2)n1 ZINC000019690939 207148542 /nfs/dbraw/zinc/14/85/42/207148542.db2.gz SZVZVWJRLSXMTM-FQEVSTJZSA-N 1 1 394.523 3.015 40 0 GGABMO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCC[N@H+]2CC(=O)NC2CCCCC2)n1 ZINC000019690939 207148547 /nfs/dbraw/zinc/14/85/47/207148547.db2.gz SZVZVWJRLSXMTM-FQEVSTJZSA-N 1 1 394.523 3.015 40 0 GGABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2ccccc2)C1 ZINC000019694704 207149034 /nfs/dbraw/zinc/14/90/34/207149034.db2.gz FUAIXCCAYRWWJG-IBGZPJMESA-N 1 1 395.551 3.257 40 0 GGABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 ZINC000019690513 207149236 /nfs/dbraw/zinc/14/92/36/207149236.db2.gz GLTITGILUCOPKQ-KRWDZBQOSA-N 1 1 399.510 3.142 40 0 GGABMO CN(C)c1ncc(-c2ccccc2)c([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000019694668 207149245 /nfs/dbraw/zinc/14/92/45/207149245.db2.gz JPOSUVLCCCTHLC-IBGZPJMESA-N 1 1 393.535 3.011 40 0 GGABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 ZINC000019690514 207149307 /nfs/dbraw/zinc/14/93/07/207149307.db2.gz SYXHIPLTFUWYEP-QGZVFWFLSA-N 1 1 399.510 3.142 40 0 GGABMO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCCC[N@H+]2CC2CC2)n1 ZINC000019687705 207149441 /nfs/dbraw/zinc/14/94/41/207149441.db2.gz ZCHHLDLFBRPISB-LJQANCHMSA-N 1 1 379.508 3.246 40 0 GGABMO COc1ccc2c(c1)C[C@H](C1CCOCC1)N(C(=O)c1ccc(C[NH+](C)C)o1)C2 ZINC000019583595 207140494 /nfs/dbraw/zinc/14/04/94/207140494.db2.gz JVALJXFBFKZGIJ-OAQYLSRUSA-N 1 1 398.503 3.344 40 0 GGABMO C[N@@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(Cc2ccccn2)CC1 ZINC000019587725 207140535 /nfs/dbraw/zinc/14/05/35/207140535.db2.gz SOHGOSRBINNGGA-XMSQKQJNSA-N 1 1 396.510 3.392 40 0 GGABMO C[N@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(Cc2ccccn2)CC1 ZINC000019587725 207140538 /nfs/dbraw/zinc/14/05/38/207140538.db2.gz SOHGOSRBINNGGA-XMSQKQJNSA-N 1 1 396.510 3.392 40 0 GGABMO COc1ccc(Cl)cc1C(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3C)ncc2C1 ZINC000019588796 207140943 /nfs/dbraw/zinc/14/09/43/207140943.db2.gz NPQGCJIGJUYGIR-KRWDZBQOSA-N 1 1 386.883 3.104 40 0 GGABMO COc1ccc(Cl)cc1C(=O)N1CCc2nc([C@@H]3CCC[N@H+]3C)ncc2C1 ZINC000019588796 207140945 /nfs/dbraw/zinc/14/09/45/207140945.db2.gz NPQGCJIGJUYGIR-KRWDZBQOSA-N 1 1 386.883 3.104 40 0 GGABMO C[N@H+]1CCC[C@H](c2ncc3c(n2)CCN(C(=O)c2csc4c2CCCC4)C3)C1 ZINC000019588660 207141109 /nfs/dbraw/zinc/14/11/09/207141109.db2.gz SHISGFOKQNLOCV-HNNXBMFYSA-N 1 1 396.560 3.425 40 0 GGABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019591767 207141202 /nfs/dbraw/zinc/14/12/02/207141202.db2.gz KKMOIIUCTCCSJE-DEOSSOPVSA-N 1 1 386.499 3.324 40 0 GGABMO CN1CC[N@@H+](Cc2ccncc2)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O ZINC000019589576 207141497 /nfs/dbraw/zinc/14/14/97/207141497.db2.gz PRVKMAHRUJNIJS-QHCPKHFHSA-N 1 1 386.499 3.277 40 0 GGABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)CCCc4ccc(F)cc4)C3)ncc2C1 ZINC000019590382 207141694 /nfs/dbraw/zinc/14/16/94/207141694.db2.gz IOQOQEPBCIHHHT-GOSISDBHSA-N 1 1 396.510 3.333 40 0 GGABMO COc1cccc(CC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000019589238 207142069 /nfs/dbraw/zinc/14/20/69/207142069.db2.gz LSQOSEOZRYPTAH-MQSCRBSSSA-N 1 1 382.479 3.466 40 0 GGABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)CN1CCCCCC1=O ZINC000019589082 207142262 /nfs/dbraw/zinc/14/22/62/207142262.db2.gz UPYDHSWNUFLXJY-IMSXRSKXSA-N 1 1 397.563 3.258 40 0 GGABMO COCc1ccc(OC)c(C[N@@H+]2CCc3nc([C@@H]4CCCCN4C)ncc3C2)c1 ZINC000019588996 207142740 /nfs/dbraw/zinc/14/27/40/207142740.db2.gz VUNCFCVRROSGDO-NRFANRHFSA-N 1 1 396.535 3.347 40 0 GGABMO COCc1ccc(OC)c(C[N@H+]2CCc3nc([C@@H]4CCCCN4C)ncc3C2)c1 ZINC000019588996 207142744 /nfs/dbraw/zinc/14/27/44/207142744.db2.gz VUNCFCVRROSGDO-NRFANRHFSA-N 1 1 396.535 3.347 40 0 GGABMO CN1CC[N@@H+](Cc2cccnc2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019589559 207142771 /nfs/dbraw/zinc/14/27/71/207142771.db2.gz RICJWWFKHYCVPD-HSZRJFAPSA-N 1 1 386.499 3.277 40 0 GGABMO COc1ccc(OC)c(CN2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019590321 207142804 /nfs/dbraw/zinc/14/28/04/207142804.db2.gz XNUZLTTXRNMQHY-FQEVSTJZSA-N 1 1 382.508 3.209 40 0 GGABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019591779 207142851 /nfs/dbraw/zinc/14/28/51/207142851.db2.gz SALQNXCYIWIOGK-DEOSSOPVSA-N 1 1 386.499 3.324 40 0 GGABMO COCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)no1 ZINC000019593532 207143993 /nfs/dbraw/zinc/14/39/93/207143993.db2.gz CRRDFITZJVPTBY-HNNXBMFYSA-N 1 1 377.872 3.084 40 0 GGABMO COc1cc(OC)cc(-c2nnc(NC(=O)C[C@H]3CCCC[N@H+]3C)s2)c1 ZINC000019659462 207144885 /nfs/dbraw/zinc/14/48/85/207144885.db2.gz KCEYUTHXBGZSGM-CYBMUJFWSA-N 1 1 376.482 3.035 40 0 GGABMO CC(C)[C@H](CNC(=O)c1ccc2c(c1)nnn2C1CCCCC1)[NH+]1CCOCC1 ZINC000019659420 207145355 /nfs/dbraw/zinc/14/53/55/207145355.db2.gz OUUIXKAVWGFRIR-NRFANRHFSA-N 1 1 399.539 3.023 40 0 GGABMO Cc1nn(C)cc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000019658874 207145539 /nfs/dbraw/zinc/14/55/39/207145539.db2.gz SNGKCVUQFCHULR-QGZVFWFLSA-N 1 1 394.523 3.477 40 0 GGABMO Cc1nn(C)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000019658874 207145541 /nfs/dbraw/zinc/14/55/41/207145541.db2.gz SNGKCVUQFCHULR-QGZVFWFLSA-N 1 1 394.523 3.477 40 0 GGABMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000019657827 207145575 /nfs/dbraw/zinc/14/55/75/207145575.db2.gz USKDLWIHMXRFKS-SFHVURJKSA-N 1 1 381.476 3.231 40 0 GGABMO COc1ccc(C[NH+]2CCN(c3nccs3)CC2)cc1Cc1c(C)n[nH]c1C ZINC000019658399 207146311 /nfs/dbraw/zinc/14/63/11/207146311.db2.gz LKOJRRHBNLCHRM-UHFFFAOYSA-N 1 1 397.548 3.405 40 0 GGABMO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CC[N@H+](Cc1ccccc1C)C2 ZINC000019707364 207150371 /nfs/dbraw/zinc/15/03/71/207150371.db2.gz YDIRUJHTDNEKMT-FQEVSTJZSA-N 1 1 379.508 3.068 40 0 GGABMO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CC[N@@H+](Cc1ccccc1C)C2 ZINC000019707364 207150375 /nfs/dbraw/zinc/15/03/75/207150375.db2.gz YDIRUJHTDNEKMT-FQEVSTJZSA-N 1 1 379.508 3.068 40 0 GGABMO CCOc1cccc2sc(NC(=O)c3ccnc(N4CC[NH+](C)CC4)c3)nc21 ZINC000019662547 207146572 /nfs/dbraw/zinc/14/65/72/207146572.db2.gz LRINXULTIPKHEQ-UHFFFAOYSA-N 1 1 397.504 3.094 40 0 GGABMO Cc1ccc(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3)C2)cc1N1CCOCC1 ZINC000019664073 207146760 /nfs/dbraw/zinc/14/67/60/207146760.db2.gz RCVRLJXFIUQNRG-QFIPXVFZSA-N 1 1 393.531 3.051 40 0 GGABMO COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H]1c1nnc2n1CCNC2 ZINC000019705511 207150477 /nfs/dbraw/zinc/15/04/77/207150477.db2.gz WVDWEYUAWWLTFP-FQEVSTJZSA-N 1 1 389.503 3.394 40 0 GGABMO COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H]1c1nnc2n1CCNC2 ZINC000019705511 207150482 /nfs/dbraw/zinc/15/04/82/207150482.db2.gz WVDWEYUAWWLTFP-FQEVSTJZSA-N 1 1 389.503 3.394 40 0 GGABMO Cn1nc([C@H]2CCCN2C(=O)CCCOc2cccc(F)c2)cc1C[NH+](C)C ZINC000019709430 207150616 /nfs/dbraw/zinc/15/06/16/207150616.db2.gz YFUGWWKPEQMEAP-HXUWFJFHSA-N 1 1 388.487 3.144 40 0 GGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@H+](C)C3)nc(NCC3CCCCC3)c2C1 ZINC000019711470 207152443 /nfs/dbraw/zinc/15/24/43/207152443.db2.gz PMEUTHZAYFXISY-SFHVURJKSA-N 1 1 385.556 3.183 40 0 GGABMO Cc1c(C[N@H+]2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cnn1C ZINC000019752565 207159667 /nfs/dbraw/zinc/15/96/67/207159667.db2.gz WFFRVIMLQDTVOP-LJQANCHMSA-N 1 1 394.567 3.369 40 0 GGABMO O=C(C[N@@H+]1CCC[C@H](Cn2ccnc2)C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000019716007 207153503 /nfs/dbraw/zinc/15/35/03/207153503.db2.gz NJWULSRNOGNCJW-HNNXBMFYSA-N 1 1 399.495 3.496 40 0 GGABMO O=C(C[N@H+]1CCC[C@H](Cn2ccnc2)C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000019716007 207153506 /nfs/dbraw/zinc/15/35/06/207153506.db2.gz NJWULSRNOGNCJW-HNNXBMFYSA-N 1 1 399.495 3.496 40 0 GGABMO CCn1cc(NC(=O)C[N@@H+]2CCC[C@H](Cc3nc4cc(F)ccc4[nH]3)C2)c(C)n1 ZINC000019715570 207153676 /nfs/dbraw/zinc/15/36/76/207153676.db2.gz RNIYKICLCANQOH-OAHLLOKOSA-N 1 1 398.486 3.120 40 0 GGABMO CCn1cc(NC(=O)C[N@H+]2CCC[C@H](Cc3nc4cc(F)ccc4[nH]3)C2)c(C)n1 ZINC000019715570 207153679 /nfs/dbraw/zinc/15/36/79/207153679.db2.gz RNIYKICLCANQOH-OAHLLOKOSA-N 1 1 398.486 3.120 40 0 GGABMO CC[C@@H](CO)[N@@H+](Cc1ccccc1F)Cc1cc2c(cc1C)n(C)c(=O)n2C ZINC000019715792 207154755 /nfs/dbraw/zinc/15/47/55/207154755.db2.gz BQIKEICEYZUMDT-SFHVURJKSA-N 1 1 385.483 3.098 40 0 GGABMO O=C(N[C@@H](CC[NH+]1CCOCC1)c1ccccc1)c1cn2cc(Cl)ccc2n1 ZINC000019716770 207154781 /nfs/dbraw/zinc/15/47/81/207154781.db2.gz XBNRLMATZSQGST-SFHVURJKSA-N 1 1 398.894 3.181 40 0 GGABMO Cc1nn(-c2ccc(F)cc2)c(C)c1-c1cncn1[C@H](C)C[NH+]1CCOCC1 ZINC000019719650 207155008 /nfs/dbraw/zinc/15/50/08/207155008.db2.gz UGXQHTRYBLIRDW-OAHLLOKOSA-N 1 1 383.471 3.385 40 0 GGABMO COc1ccc(OC)c(-c2[nH]nc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2C)c1 ZINC000019718140 207156263 /nfs/dbraw/zinc/15/62/63/207156263.db2.gz DUAQVWBHUHIPEB-UHFFFAOYSA-N 1 1 398.507 3.103 40 0 GGABMO Cc1cc2ncc(C[NH+](C)C)c([C@H]3CCCN3C(=O)CCc3ccccc3)n2n1 ZINC000019743645 207156883 /nfs/dbraw/zinc/15/68/83/207156883.db2.gz BPGCWPYVUHJLAW-HXUWFJFHSA-N 1 1 391.519 3.396 40 0 GGABMO Cc1cc2ncc(C[NH+](C)C)c([C@H]3CCCN3C(=O)c3ccc(F)cc3)n2n1 ZINC000019743672 207156982 /nfs/dbraw/zinc/15/69/82/207156982.db2.gz FLDANPANGSKJQH-GOSISDBHSA-N 1 1 381.455 3.216 40 0 GGABMO CNc1cc(CC2CCN(C(=O)CCc3ccc(OC)cc3)CC2)[nH+]c(C)n1 ZINC000019758952 207158803 /nfs/dbraw/zinc/15/88/03/207158803.db2.gz GDAPARXLMQMOML-UHFFFAOYSA-N 1 1 382.508 3.249 40 0 GGABMO CC(C)CNC(=O)c1cc([C@@H]2CC[N@@H+](Cc3ccnn3C)C2)nc2ccccc21 ZINC000019762685 207161353 /nfs/dbraw/zinc/16/13/53/207161353.db2.gz FOHPGHCGPCNKKU-QGZVFWFLSA-N 1 1 391.519 3.344 40 0 GGABMO COc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc(OC)c1OC ZINC000020490850 207197171 /nfs/dbraw/zinc/19/71/71/207197171.db2.gz XFOJVXPCUSCJGJ-UHFFFAOYSA-N 1 1 381.432 3.137 40 0 GGABMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(C(C)C)cc2)CC1 ZINC000020807258 207215109 /nfs/dbraw/zinc/21/51/09/207215109.db2.gz MZSIYAOVMVOLMD-HXUWFJFHSA-N 1 1 384.520 3.381 40 0 GGABMO CCCCC[N@@H+](C)CCC(O)(P(=O)(OC)OC)P(=O)(OC)OC ZINC000022066894 207246245 /nfs/dbraw/zinc/24/62/45/207246245.db2.gz KPSNZWOXCPASBB-UHFFFAOYSA-N 1 1 375.339 3.116 40 0 in-vitro GGABMO COC(=O)C1CCN(C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000022914021 207263122 /nfs/dbraw/zinc/26/31/22/207263122.db2.gz MTJNYWMYIZHYLD-UHFFFAOYSA-N 1 1 392.499 3.270 40 0 GGABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)cc2)C1 ZINC000022524527 207254671 /nfs/dbraw/zinc/25/46/71/207254671.db2.gz QJKAKZUFTJZQMX-MRXNPFEDSA-N 1 1 392.503 3.361 40 0 GGABMO Cc1nc(-c2cccc(NC(=S)NCCC[NH+]3CCOCC3)c2)cs1 ZINC000023103091 207268759 /nfs/dbraw/zinc/26/87/59/207268759.db2.gz LBKDVVXBPZQXHK-UHFFFAOYSA-N 1 1 376.551 3.127 40 0 GGABMO Cc1ccc([C@H](CNC(=O)c2oc3ccccc3c2C)N2CC[NH+](C)CC2)o1 ZINC000022938397 207267310 /nfs/dbraw/zinc/26/73/10/207267310.db2.gz IWMSDSUZUNJJHF-SFHVURJKSA-N 1 1 381.476 3.361 40 0 GGABMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000025082104 207300427 /nfs/dbraw/zinc/30/04/27/207300427.db2.gz SDAXRHMRZRSWGX-UHFFFAOYSA-N 1 1 390.487 3.229 40 0 GGABMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000025082104 207300429 /nfs/dbraw/zinc/30/04/29/207300429.db2.gz SDAXRHMRZRSWGX-UHFFFAOYSA-N 1 1 390.487 3.229 40 0 GGABMO CC(C)c1ccc(OCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000024061489 207288102 /nfs/dbraw/zinc/28/81/02/207288102.db2.gz FQWMUQLOCUBDJU-UHFFFAOYSA-N 1 1 382.504 3.337 40 0 GGABMO CC(C)(C)c1ccccc1OC[C@H](O)C[NH+]1CCN(c2nccs2)CC1 ZINC000025063735 207301049 /nfs/dbraw/zinc/30/10/49/207301049.db2.gz BZNSMNBYFFXKAW-MRXNPFEDSA-N 1 1 375.538 3.003 40 0 GGABMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000026894904 207320960 /nfs/dbraw/zinc/32/09/60/207320960.db2.gz UJEVWDXQMBNUIO-GOSISDBHSA-N 1 1 388.508 3.309 40 0 GGABMO C[NH+]1CCN([C@H](CNC(=O)CCCc2cccs2)c2cccs2)CC1 ZINC000040039574 207335965 /nfs/dbraw/zinc/33/59/65/207335965.db2.gz NFWZWFORJMGFPH-QGZVFWFLSA-N 1 1 377.579 3.237 40 0 GGABMO Cc1cc(C)c(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)c(C)c1 ZINC000028285023 207339841 /nfs/dbraw/zinc/33/98/41/207339841.db2.gz IYLKETLDMSJSIP-OAQYLSRUSA-N 1 1 391.515 3.062 40 0 GGABMO O=C(NCCC[NH+]1CCOCC1)c1ccc(COc2cccc3ccccc32)o1 ZINC000028304368 207341474 /nfs/dbraw/zinc/34/14/74/207341474.db2.gz QRJJFXXWIWQAEO-UHFFFAOYSA-N 1 1 394.471 3.464 40 0 GGABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000030757311 207373259 /nfs/dbraw/zinc/37/32/59/207373259.db2.gz LAUALYHWFKGVCV-UHFFFAOYSA-N 1 1 375.881 3.454 40 0 GGABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000030853328 207375411 /nfs/dbraw/zinc/37/54/11/207375411.db2.gz USLMZPIIRRXYSD-UHFFFAOYSA-N 1 1 375.881 3.454 40 0 GGABMO COc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c(OC)c1OC ZINC000044882888 207640897 /nfs/dbraw/zinc/64/08/97/207640897.db2.gz QVPQDPVUXQFPAQ-UHFFFAOYSA-N 1 1 395.459 3.196 40 0 GGABMO COC[C@H]1CN(C(=O)Cc2ccc(F)cc2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354492 208001135 /nfs/dbraw/zinc/00/11/35/208001135.db2.gz BDBLWMCMJQPZTK-OAQYLSRUSA-N 1 1 384.495 3.018 40 0 GGABMO COC[C@@H]1CN(C(=O)CCc2ccccc2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354465 208001352 /nfs/dbraw/zinc/00/13/52/208001352.db2.gz CDNGPGSYOBGRDD-QHCPKHFHSA-N 1 1 380.532 3.269 40 0 GGABMO NC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000072352423 208001567 /nfs/dbraw/zinc/00/15/67/208001567.db2.gz OGAVXYGEEQWMIO-AWEZNQCLSA-N 1 1 385.533 3.238 40 0 GGABMO NC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000072352423 208001571 /nfs/dbraw/zinc/00/15/71/208001571.db2.gz OGAVXYGEEQWMIO-AWEZNQCLSA-N 1 1 385.533 3.238 40 0 GGABMO COc1ccccc1Oc1nccnc1[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000072361880 208003238 /nfs/dbraw/zinc/00/32/38/208003238.db2.gz LYTNNNDPBGKETD-QGZVFWFLSA-N 1 1 396.491 3.079 40 0 GGABMO COc1ccccc1Oc1nccnc1[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000072361880 208003241 /nfs/dbraw/zinc/00/32/41/208003241.db2.gz LYTNNNDPBGKETD-QGZVFWFLSA-N 1 1 396.491 3.079 40 0 GGABMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3nccnc3-c3ccc(F)cc3)C2)CC1 ZINC000072359101 208003364 /nfs/dbraw/zinc/00/33/64/208003364.db2.gz SFVHBTCBBVJCQO-SFHVURJKSA-N 1 1 382.483 3.473 40 0 GGABMO COc1ccccc1Oc1nccnc1[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000072361881 208003935 /nfs/dbraw/zinc/00/39/35/208003935.db2.gz LYTNNNDPBGKETD-KRWDZBQOSA-N 1 1 396.491 3.079 40 0 GGABMO COc1ccccc1Oc1nccnc1[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000072361881 208003942 /nfs/dbraw/zinc/00/39/42/208003942.db2.gz LYTNNNDPBGKETD-KRWDZBQOSA-N 1 1 396.491 3.079 40 0 GGABMO COc1ccccc1Oc1cncc([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072361884 208004064 /nfs/dbraw/zinc/00/40/64/208004064.db2.gz LSJRZLWJWMEBMG-KRWDZBQOSA-N 1 1 396.491 3.079 40 0 GGABMO COc1ccccc1Oc1cncc([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072361884 208004071 /nfs/dbraw/zinc/00/40/71/208004071.db2.gz LSJRZLWJWMEBMG-KRWDZBQOSA-N 1 1 396.491 3.079 40 0 GGABMO Cc1cc(Nc2ncccc2C)nc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072360051 208004275 /nfs/dbraw/zinc/00/42/75/208004275.db2.gz XQWIIQFCFPTXJU-GOSISDBHSA-N 1 1 377.496 3.345 40 0 GGABMO COc1ccccc1Oc1nccnc1[C@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC000072363150 208005300 /nfs/dbraw/zinc/00/53/00/208005300.db2.gz BYLNVPNZRLJNHL-INIZCTEOSA-N 1 1 379.464 3.391 40 0 GGABMO COc1ccccc1Oc1nccnc1[C@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC000072363150 208005307 /nfs/dbraw/zinc/00/53/07/208005307.db2.gz BYLNVPNZRLJNHL-INIZCTEOSA-N 1 1 379.464 3.391 40 0 GGABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)CC1 ZINC000072363014 208005516 /nfs/dbraw/zinc/00/55/16/208005516.db2.gz MIFHZRZSNLMBTO-GOSISDBHSA-N 1 1 380.492 3.459 40 0 GGABMO Cn1nccc1C[N@H+]1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371587 208005583 /nfs/dbraw/zinc/00/55/83/208005583.db2.gz SDPIGHGYQSUMSL-HNNXBMFYSA-N 1 1 385.899 3.408 40 0 GGABMO Cn1nccc1C[N@@H+]1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371587 208005589 /nfs/dbraw/zinc/00/55/89/208005589.db2.gz SDPIGHGYQSUMSL-HNNXBMFYSA-N 1 1 385.899 3.408 40 0 GGABMO Cn1nccc1C[N@H+]1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371587 208005596 /nfs/dbraw/zinc/00/55/96/208005596.db2.gz SDPIGHGYQSUMSL-HNNXBMFYSA-N 1 1 385.899 3.408 40 0 GGABMO CC(C)c1ccc(OCCc2cc([C@@H]3CC[N@@H+](CC(=O)N4CCC4)C3)[nH]n2)cc1 ZINC000072371749 208006306 /nfs/dbraw/zinc/00/63/06/208006306.db2.gz XAILCRFCUULJAK-LJQANCHMSA-N 1 1 396.535 3.176 40 0 GGABMO CC(C)c1ccc(OCCc2cc([C@@H]3CC[N@H+](CC(=O)N4CCC4)C3)n[nH]2)cc1 ZINC000072371749 208006312 /nfs/dbraw/zinc/00/63/12/208006312.db2.gz XAILCRFCUULJAK-LJQANCHMSA-N 1 1 396.535 3.176 40 0 GGABMO CC(C)c1ccc(OCCc2cc([C@@H]3CC[N@@H+](CC(=O)N4CCC4)C3)n[nH]2)cc1 ZINC000072371749 208006319 /nfs/dbraw/zinc/00/63/19/208006319.db2.gz XAILCRFCUULJAK-LJQANCHMSA-N 1 1 396.535 3.176 40 0 GGABMO CNc1nc([C@@H]2CCCC[N@@H+]2Cc2ccccc2C)nc2c1CCN(C(C)=O)C2 ZINC000072376553 208007347 /nfs/dbraw/zinc/00/73/47/208007347.db2.gz SPOPLTQFFCIJLP-NRFANRHFSA-N 1 1 393.535 3.459 40 0 GGABMO CNc1nc([C@@H]2CCCC[N@H+]2Cc2ccccc2C)nc2c1CCN(C(C)=O)C2 ZINC000072376553 208007354 /nfs/dbraw/zinc/00/73/54/208007354.db2.gz SPOPLTQFFCIJLP-NRFANRHFSA-N 1 1 393.535 3.459 40 0 GGABMO CC1(C)C=C(CC(=O)N2CCC[C@H]2c2ccc3c(N)[nH]nc3n2)CC(C)(C)[NH2+]1 ZINC000072374554 208007980 /nfs/dbraw/zinc/00/79/80/208007980.db2.gz GIEVUYVSCRFGQI-INIZCTEOSA-N 1 1 382.512 3.071 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377445 208008124 /nfs/dbraw/zinc/00/81/24/208008124.db2.gz FLJMVZSNFODRNN-QGZVFWFLSA-N 1 1 376.464 3.398 40 0 GGABMO C[N@H+]1CCn2c(nnc2[C@H]2CCCN2C(=O)c2ccccc2-c2ccccc2)C1 ZINC000072373911 208008525 /nfs/dbraw/zinc/00/85/25/208008525.db2.gz ZRYUELZQYAYUTN-HXUWFJFHSA-N 1 1 387.487 3.368 40 0 GGABMO C[N@H+]1CCn2c(nnc2[C@H]2CCCN2C(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC000072373907 208009216 /nfs/dbraw/zinc/00/92/16/208009216.db2.gz OIXIBYAWHZXXGC-GOSISDBHSA-N 1 1 397.498 3.038 40 0 GGABMO CC(C)[N@H+]1CCO[C@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1 ZINC000072389083 208011449 /nfs/dbraw/zinc/01/14/49/208011449.db2.gz GJKSHIHUDYMUGT-QHCPKHFHSA-N 1 1 379.504 3.049 40 0 GGABMO COc1ccc(Oc2cncc([C@@H]3CCC[N@H+]3C3CCN(C(C)=O)CC3)n2)cc1 ZINC000072384375 208011518 /nfs/dbraw/zinc/01/15/18/208011518.db2.gz KRTUEEVVLKREQN-NRFANRHFSA-N 1 1 396.491 3.425 40 0 GGABMO Cc1[nH+]ccn1-c1cccc(C2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000072379030 208011554 /nfs/dbraw/zinc/01/15/54/208011554.db2.gz TXNKUHGHTSBJCM-UHFFFAOYSA-N 1 1 376.460 3.361 40 0 GGABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC000072379024 208011601 /nfs/dbraw/zinc/01/16/01/208011601.db2.gz IPADUVVVYGLDEM-GOSISDBHSA-N 1 1 376.460 3.361 40 0 GGABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000072379031 208012590 /nfs/dbraw/zinc/01/25/90/208012590.db2.gz SYMBOMWNQKEONG-QGZVFWFLSA-N 1 1 394.450 3.500 40 0 GGABMO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Oc2cccnc2C)C1 ZINC000072383624 208012965 /nfs/dbraw/zinc/01/29/65/208012965.db2.gz PHTMGGGSOCMAAP-QGZVFWFLSA-N 1 1 383.496 3.020 40 0 GGABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2nccnc2Oc2cccnc2C)C1 ZINC000072383624 208012971 /nfs/dbraw/zinc/01/29/71/208012971.db2.gz PHTMGGGSOCMAAP-QGZVFWFLSA-N 1 1 383.496 3.020 40 0 GGABMO COc1ccc(Oc2cc(C)nc([C@H]3CC[N@H+](Cc4cncn4C)C3)n2)cc1 ZINC000072384434 208013011 /nfs/dbraw/zinc/01/30/11/208013011.db2.gz OYMFGGDJGJVPNZ-INIZCTEOSA-N 1 1 379.464 3.309 40 0 GGABMO COc1ccc(Oc2cc(C)nc([C@H]3CC[N@@H+](Cc4cncn4C)C3)n2)cc1 ZINC000072384434 208013018 /nfs/dbraw/zinc/01/30/18/208013018.db2.gz OYMFGGDJGJVPNZ-INIZCTEOSA-N 1 1 379.464 3.309 40 0 GGABMO CC(C)Cc1ccc(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)s1 ZINC000072390494 208013175 /nfs/dbraw/zinc/01/31/75/208013175.db2.gz GMKXVIJQVKCHGQ-UHFFFAOYSA-N 1 1 395.532 3.088 40 0 GGABMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000084504677 208090858 /nfs/dbraw/zinc/09/08/58/208090858.db2.gz GIAVJPQSOZPCGO-CYBMUJFWSA-N 1 1 391.393 3.054 40 0 GGABMO Cc1ccc(C(=O)N2CCC3(C[N@H+](CC(C)C)C[C@]34CCNC4=O)CC2)cc1C ZINC000096144144 208271803 /nfs/dbraw/zinc/27/18/03/208271803.db2.gz PKHPKDOJVGKZBT-DEOSSOPVSA-N 1 1 397.563 3.004 40 0 GGABMO CC[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2CC1 ZINC000096145863 208273386 /nfs/dbraw/zinc/27/33/86/208273386.db2.gz LAQAHHJNPQOPSZ-OALUTQOASA-N 1 1 386.517 3.123 40 0 GGABMO COc1ccc(-c2cnc3n2CC[NH2+]C32CCN(Cc3nccs3)CC2)cc1 ZINC000096145053 208274748 /nfs/dbraw/zinc/27/47/48/208274748.db2.gz IPCGEWASPIUURV-UHFFFAOYSA-N 1 1 395.532 3.110 40 0 GGABMO CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1nccs1)CC2 ZINC000096036981 208256533 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O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccncc3)no2)C1 ZINC000062022921 209002706 /nfs/dbraw/zinc/00/27/06/209002706.db2.gz OAAATMGVOSFOJC-LJQANCHMSA-N 1 1 395.507 3.350 40 0 GGABMO CC(C)c1[nH+]ccn1CC1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 ZINC000062129927 209002839 /nfs/dbraw/zinc/00/28/39/209002839.db2.gz JLLWHPUNVWUXMX-UHFFFAOYSA-N 1 1 378.480 3.140 40 0 GGABMO CCc1[nH+]ccn1CC1CCN(C(=O)c2cc(-c3cccc(OC)c3)n[nH]2)CC1 ZINC000062129731 209003117 /nfs/dbraw/zinc/00/31/17/209003117.db2.gz NPCGSIONOVXVJR-UHFFFAOYSA-N 1 1 393.491 3.397 40 0 GGABMO Cc1nc(COC[C@@H]2CC[N@@H+](C)C3(CN(C(=O)CCC(C)C)C3)C2)cs1 ZINC000306125592 209097363 /nfs/dbraw/zinc/09/73/63/209097363.db2.gz CVBPNBIZDIHEBW-QGZVFWFLSA-N 1 1 379.570 3.327 40 0 GGABMO COc1cccc(CN2C[C@@]3(F)C[N@H+](C[C@@H]4CC=CCC4)C[C@@]3(F)C2=O)c1 ZINC000306123907 209097338 /nfs/dbraw/zinc/09/73/38/209097338.db2.gz BAFBRRZEVGHIKX-TYCQWZJGSA-N 1 1 376.447 3.126 40 0 GGABMO COc1cccc(CN2C[C@@]3(F)C[N@@H+](C[C@@H]4CC=CCC4)C[C@@]3(F)C2=O)c1 ZINC000306123907 209097339 /nfs/dbraw/zinc/09/73/39/209097339.db2.gz BAFBRRZEVGHIKX-TYCQWZJGSA-N 1 1 376.447 3.126 40 0 GGABMO COc1ncccc1C[N@H+]1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306126974 209096625 /nfs/dbraw/zinc/09/66/25/209096625.db2.gz FKQUJNDOLFKPJH-QGZVFWFLSA-N 1 1 392.507 3.113 40 0 GGABMO COc1ccc(CN2C[C@H]3C[N@@H+](CCCc4ccccc4)CCN3C2=O)cc1 ZINC000096269123 209012921 /nfs/dbraw/zinc/01/29/21/209012921.db2.gz XDYSJCKGEKVEBT-OAQYLSRUSA-N 1 1 379.504 3.250 40 0 biogenic,in-vitro GGABMO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@H](O)COCc2cccs2)c(C)c1 ZINC000096996261 209016798 /nfs/dbraw/zinc/01/67/98/209016798.db2.gz PXXALOIXGGEYPD-KRWDZBQOSA-N 1 1 376.522 3.121 40 0 GGABMO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@H](O)COCc2cccs2)c(C)c1 ZINC000096996261 209016803 /nfs/dbraw/zinc/01/68/03/209016803.db2.gz PXXALOIXGGEYPD-KRWDZBQOSA-N 1 1 376.522 3.121 40 0 GGABMO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](Cc4ccco4)CC3)CC2)n1 ZINC000244909661 209026561 /nfs/dbraw/zinc/02/65/61/209026561.db2.gz APKPNNSMEIVBLY-UHFFFAOYSA-N 1 1 394.441 3.480 40 0 GGABMO COC[C@H]1C[N@@H+](Cc2cccs2)CC12CCN(Cc1cc(C)on1)CC2 ZINC000247918166 209028204 /nfs/dbraw/zinc/02/82/04/209028204.db2.gz NCAXMNKRNMFUQY-QGZVFWFLSA-N 1 1 375.538 3.405 40 0 GGABMO COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CCN(Cc1cc(C)on1)CC2 ZINC000247918161 209029404 /nfs/dbraw/zinc/02/94/04/209029404.db2.gz NCAXMNKRNMFUQY-KRWDZBQOSA-N 1 1 375.538 3.405 40 0 GGABMO O=C1N(Cc2cccnc2)C[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)CCN12 ZINC000096269111 209014548 /nfs/dbraw/zinc/01/45/48/209014548.db2.gz JHIZMAKYWYVXIF-GOSISDBHSA-N 1 1 390.409 3.222 40 0 biogenic,in-vitro GGABMO O=C1N(Cc2cccnc2)C[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)CCN12 ZINC000096269111 209014552 /nfs/dbraw/zinc/01/45/52/209014552.db2.gz JHIZMAKYWYVXIF-GOSISDBHSA-N 1 1 390.409 3.222 40 0 biogenic,in-vitro GGABMO CCC[N@H+]1CCCC[C@@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257200618 209053282 /nfs/dbraw/zinc/05/32/82/209053282.db2.gz AECAWMKPHGSYIR-HXUWFJFHSA-N 1 1 383.540 3.494 40 0 GGABMO CCC[N@H+]1CCCC[C@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257200617 209053598 /nfs/dbraw/zinc/05/35/98/209053598.db2.gz AECAWMKPHGSYIR-FQEVSTJZSA-N 1 1 383.540 3.494 40 0 GGABMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@]12CCCO2 ZINC000257209360 209055481 /nfs/dbraw/zinc/05/54/81/209055481.db2.gz BQBYQNOYBSTBMR-IFMALSPDSA-N 1 1 397.475 3.082 40 0 GGABMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@]12CCCO2 ZINC000257209360 209055484 /nfs/dbraw/zinc/05/54/84/209055484.db2.gz BQBYQNOYBSTBMR-IFMALSPDSA-N 1 1 397.475 3.082 40 0 GGABMO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OC)[C@]3(CCCO3)C2)cc1 ZINC000257210561 209056027 /nfs/dbraw/zinc/05/60/27/209056027.db2.gz BVDVGFFYLYEMNJ-CTNGQTDRSA-N 1 1 376.497 3.074 40 0 GGABMO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](OC)[C@]3(CCCO3)C2)cc1 ZINC000257210561 209056030 /nfs/dbraw/zinc/05/60/30/209056030.db2.gz BVDVGFFYLYEMNJ-CTNGQTDRSA-N 1 1 376.497 3.074 40 0 GGABMO CNC(=O)c1sc2nc([C@H]3CCCC[N@H+]3CC3CCOCC3)ccc2c1N ZINC000257204248 209056226 /nfs/dbraw/zinc/05/62/26/209056226.db2.gz ATRWSQCXCLYAJE-MRXNPFEDSA-N 1 1 388.537 3.192 40 0 GGABMO CC(=O)Nc1cccc([C@@H]2C[N@@H+](Cc3ccccn3)C[C@]23CCCCC(=O)N3)c1 ZINC000257204235 209056352 /nfs/dbraw/zinc/05/63/52/209056352.db2.gz ATQZFGODXBEBFR-JTHBVZDNSA-N 1 1 392.503 3.068 40 0 GGABMO CNC(=O)c1sc2nc([C@@]3(C)CCC[N@@H+](Cc4cccnc4)C3)ccc2c1N ZINC000257222519 209056812 /nfs/dbraw/zinc/05/68/12/209056812.db2.gz DTPHUXKZCNDNJE-NRFANRHFSA-N 1 1 395.532 3.187 40 0 GGABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@@H+]2Cc2nccn2C)c1 ZINC000257215821 209057035 /nfs/dbraw/zinc/05/70/35/209057035.db2.gz CRUMLQHIKFFUPJ-IPJJNNNSSA-N 1 1 382.508 3.193 40 0 GGABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@H+]2Cc2nccn2C)c1 ZINC000257215821 209057037 /nfs/dbraw/zinc/05/70/37/209057037.db2.gz CRUMLQHIKFFUPJ-IPJJNNNSSA-N 1 1 382.508 3.193 40 0 GGABMO CN(C)c1cncc([C@@H]2CCC[N@@H+]2Cc2cccc(Oc3ncccn3)c2)n1 ZINC000257216265 209057210 /nfs/dbraw/zinc/05/72/10/209057210.db2.gz CTTCVHGSQLBBKL-IBGZPJMESA-N 1 1 376.464 3.462 40 0 GGABMO CN(C)c1cncc([C@@H]2CCC[N@H+]2Cc2cccc(Oc3ncccn3)c2)n1 ZINC000257216265 209057212 /nfs/dbraw/zinc/05/72/12/209057212.db2.gz CTTCVHGSQLBBKL-IBGZPJMESA-N 1 1 376.464 3.462 40 0 GGABMO C[N@H+]1CCCCC[C@@H]2N(C(=O)Cn3cccn3)[C@H](Cc3ccccc3)C[C@@]21C ZINC000257221547 209058347 /nfs/dbraw/zinc/05/83/47/209058347.db2.gz DPNZLNFQAVDPBM-GIWBLDEGSA-N 1 1 380.536 3.360 40 0 GGABMO CNC(=O)c1sc2nc([C@H]3CCCC[N@@H+]3Cc3cccnc3)ccc2c1N ZINC000257245042 209059484 /nfs/dbraw/zinc/05/94/84/209059484.db2.gz INWQPZLPUJHZNM-MRXNPFEDSA-N 1 1 381.505 3.360 40 0 GGABMO CNC(=O)c1sc2nc([C@H]3CCCC[N@H+]3Cc3cccnc3)ccc2c1N ZINC000257245042 209059486 /nfs/dbraw/zinc/05/94/86/209059486.db2.gz INWQPZLPUJHZNM-MRXNPFEDSA-N 1 1 381.505 3.360 40 0 GGABMO Cc1ncsc1C[N@@H+]1CCC[C@](C)(c2nc3c(c(C)n2)CC(=O)N3C(C)C)C1 ZINC000257253095 209060361 /nfs/dbraw/zinc/06/03/61/209060361.db2.gz JXNOZNPOAJRSJH-NRFANRHFSA-N 1 1 399.564 3.401 40 0 GGABMO C[N@H+]1CCC[C@@H](NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)C1 ZINC000257254335 209061009 /nfs/dbraw/zinc/06/10/09/209061009.db2.gz KCQQNSYMPCADMI-JOCHJYFZSA-N 1 1 393.531 3.298 40 0 GGABMO CNC(=O)c1sc2nc([C@@]3(C)CCC[N@@H+](Cc4ccccn4)C3)ccc2c1N ZINC000257260254 209062139 /nfs/dbraw/zinc/06/21/39/209062139.db2.gz LCAADDSZJDXTOK-NRFANRHFSA-N 1 1 395.532 3.187 40 0 GGABMO CCc1nccn1-c1ccc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@H+]3C)cn1 ZINC000257254020 209062561 /nfs/dbraw/zinc/06/25/61/209062561.db2.gz KBGKSEYWFMAGNK-AVRDEDQJSA-N 1 1 381.524 3.309 40 0 GGABMO COc1cccc(OCCc2cc([C@H]3C[N@H+](CC(C)(C)C)CCO3)nn2C)c1 ZINC000257268656 209063393 /nfs/dbraw/zinc/06/33/93/209063393.db2.gz MMPGJIRJLBXSIN-OAQYLSRUSA-N 1 1 387.524 3.470 40 0 GGABMO COc1cccc(OCCc2cc([C@H]3C[N@@H+](CC(C)(C)C)CCO3)nn2C)c1 ZINC000257268656 209063400 /nfs/dbraw/zinc/06/34/00/209063400.db2.gz MMPGJIRJLBXSIN-OAQYLSRUSA-N 1 1 387.524 3.470 40 0 GGABMO COc1cccc(OCCc2cc([C@@H]3C[N@H+](CC(C)(C)C)CCO3)nn2C)c1 ZINC000257268655 209063817 /nfs/dbraw/zinc/06/38/17/209063817.db2.gz MMPGJIRJLBXSIN-NRFANRHFSA-N 1 1 387.524 3.470 40 0 GGABMO COc1cccc(OCCc2cc([C@@H]3C[N@@H+](CC(C)(C)C)CCO3)nn2C)c1 ZINC000257268655 209063823 /nfs/dbraw/zinc/06/38/23/209063823.db2.gz MMPGJIRJLBXSIN-NRFANRHFSA-N 1 1 387.524 3.470 40 0 GGABMO CN(C)C(=O)c1cc(C[C@@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)ncn1 ZINC000257268039 209065145 /nfs/dbraw/zinc/06/51/45/209065145.db2.gz MJZGKNRIBIJDFT-INIZCTEOSA-N 1 1 377.492 3.114 40 0 GGABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257299421 209070032 /nfs/dbraw/zinc/07/00/32/209070032.db2.gz RPZYISXAGGJXFQ-GOSISDBHSA-N 1 1 384.499 3.289 40 0 GGABMO Cc1cnc(C(=O)N2[C@@H]3CCC[C@@H]4[N@@H+](C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)cn1 ZINC000257287693 209069264 /nfs/dbraw/zinc/06/92/64/209069264.db2.gz PRCUNKFDPNWAHK-CHSSDKTLSA-N 1 1 390.531 3.484 40 0 GGABMO CCC[N@H+]1CC[C@@H](c2cc3nc(C)c(CCC(=O)N4CCCCC4)c(C)n3n2)C1 ZINC000257288769 209069331 /nfs/dbraw/zinc/06/93/31/209069331.db2.gz PVOMHBPGTFXEAH-LJQANCHMSA-N 1 1 397.567 3.491 40 0 GGABMO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)CN1CCCCC1 ZINC000257292671 209069574 /nfs/dbraw/zinc/06/95/74/209069574.db2.gz QMMWRSHIRJDBMS-CFKFVRPNSA-N 1 1 381.564 3.215 40 0 GGABMO Cc1cnn(CC(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@H+]3C)c1 ZINC000257297954 209070928 /nfs/dbraw/zinc/07/09/28/209070928.db2.gz RJMCVIZVKDKKIR-WGNYYXNJSA-N 1 1 392.547 3.277 40 0 GGABMO C/C(=C\c1ccccc1)C[N@H+]1CCc2c(=O)[nH]c(N3C[C@H](C)O[C@@H](C)C3)nc2C1 ZINC000072335653 533412295 /nfs/dbraw/zinc/41/22/95/533412295.db2.gz SZBKIWZCWSZTNO-BVVDNCSCSA-N 1 1 394.519 3.257 40 0 GGABMO C/C(=C\c1ccccc1)C[N@@H+]1CCc2c(=O)[nH]c(N3C[C@H](C)O[C@@H](C)C3)nc2C1 ZINC000072335653 533412298 /nfs/dbraw/zinc/41/22/98/533412298.db2.gz SZBKIWZCWSZTNO-BVVDNCSCSA-N 1 1 394.519 3.257 40 0 GGABMO CC1CCN(C(=O)C[NH+]2CCC(c3cncc(Nc4ccccn4)n3)CC2)CC1 ZINC000257309604 209073062 /nfs/dbraw/zinc/07/30/62/209073062.db2.gz UBOSICXVDUEYSH-UHFFFAOYSA-N 1 1 394.523 3.053 40 0 GGABMO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccc4cccnc42)CC3)C1 ZINC000072389576 136169286 /nfs/dbraw/zinc/16/92/86/136169286.db2.gz ZBPFMDTVBYSDRE-INIZCTEOSA-N 1 1 389.503 3.113 40 0 GGABMO COCC[NH+]1CCN(c2ncc(-c3ccsc3)c(-c3nccs3)n2)CC1 ZINC000072396677 136169300 /nfs/dbraw/zinc/16/93/00/136169300.db2.gz VWUOBJPTNRVXRN-UHFFFAOYSA-N 1 1 387.534 3.097 40 0 GGABMO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000012933739 136200790 /nfs/dbraw/zinc/20/07/90/136200790.db2.gz MHZOPYWIPJVXMB-UHFFFAOYSA-N 1 1 393.487 3.336 40 0 GGABMO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)cc1F ZINC000015039175 136201827 /nfs/dbraw/zinc/20/18/27/136201827.db2.gz PAXNXPAGQPMDPG-KRWDZBQOSA-N 1 1 385.483 3.430 40 0 GGABMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1F ZINC000015039175 136201828 /nfs/dbraw/zinc/20/18/28/136201828.db2.gz PAXNXPAGQPMDPG-KRWDZBQOSA-N 1 1 385.483 3.430 40 0 GGABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000224563354 136207123 /nfs/dbraw/zinc/20/71/23/136207123.db2.gz ZLIFFLTUUNWZPA-UHFFFAOYSA-N 1 1 393.531 3.439 40 0 GGABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000257314028 209074722 /nfs/dbraw/zinc/07/47/22/209074722.db2.gz UVBSCIWRNOWRQT-HNNXBMFYSA-N 1 1 382.493 3.404 40 0 GGABMO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@H+]3Cc2cn(C)nc2C)cc1 ZINC000257314435 209075012 /nfs/dbraw/zinc/07/50/12/209075012.db2.gz UWYAVPLHUGEWRJ-YADHBBJMSA-N 1 1 396.535 3.283 40 0 GGABMO CC[N@@H+](C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)c3nonc3C)CC2)C1 ZINC000257324090 209076362 /nfs/dbraw/zinc/07/63/62/209076362.db2.gz WNCXJBGNTCIJML-OALUTQOASA-N 1 1 398.507 3.225 40 0 GGABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)cc3O)cc2Cl)CC1 ZINC000257338909 209077903 /nfs/dbraw/zinc/07/79/03/209077903.db2.gz YZKJRTQTLOMHTC-UHFFFAOYSA-N 1 1 389.883 3.448 40 0 GGABMO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000257342014 209078144 /nfs/dbraw/zinc/07/81/44/209078144.db2.gz ZMSJMFWSDZZXEH-IBGZPJMESA-N 1 1 395.551 3.481 40 0 GGABMO C[N@H+]1CC[C@H](CNC(=O)C2(Cc3ccc(-c4ccncc4)cc3)CCOCC2)C1 ZINC000257342910 209078219 /nfs/dbraw/zinc/07/82/19/209078219.db2.gz ZQOYSTBUOWPANE-HXUWFJFHSA-N 1 1 393.531 3.156 40 0 GGABMO COc1cccc([C@@H](O)C[N@@H+]2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)c1 ZINC000072342777 222231599 /nfs/dbraw/zinc/23/15/99/222231599.db2.gz KXFUCZDPIAISSF-NRFANRHFSA-N 1 1 378.476 3.177 40 0 GGABMO COCCOc1ccc(C[N@@H+]2C[C@@H]3ON=C(c4cccc(C)c4)[C@@H]3C2)cc1OC ZINC000072343249 222232099 /nfs/dbraw/zinc/23/20/99/222232099.db2.gz HGGYUNVZPIKDOY-KNQAVFIVSA-N 1 1 396.487 3.264 40 0 GGABMO COCCOc1ccc(C[N@H+]2C[C@@H]3ON=C(c4cccc(C)c4)[C@@H]3C2)cc1OC ZINC000072343249 222232102 /nfs/dbraw/zinc/23/21/02/222232102.db2.gz HGGYUNVZPIKDOY-KNQAVFIVSA-N 1 1 396.487 3.264 40 0 GGABMO COc1ccc(-c2c(C)nn3c2nc(C)cc3NCCC[NH+]2CCOCC2)cc1 ZINC000072341678 222232128 /nfs/dbraw/zinc/23/21/28/222232128.db2.gz YOEHWAJASQYFTM-UHFFFAOYSA-N 1 1 395.507 3.156 40 0 GGABMO Cc1nc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)ncc1C(=O)Nc1ccccc1 ZINC000072345537 222233389 /nfs/dbraw/zinc/23/33/89/222233389.db2.gz YHVXQUINZGLOJN-GOSISDBHSA-N 1 1 390.491 3.150 40 0 GGABMO Cc1c(C[N@H+]2CC=C(n3c(C)nc(=O)c4cc(Cl)ccc43)CC2)cnn1C ZINC000072348324 222234443 /nfs/dbraw/zinc/23/44/43/222234443.db2.gz LQGGFCAMIGFWQA-UHFFFAOYSA-N 1 1 383.883 3.147 40 0 GGABMO Cc1c(C[N@@H+]2CC=C(n3c(C)nc(=O)c4cc(Cl)ccc43)CC2)cnn1C ZINC000072348324 222234445 /nfs/dbraw/zinc/23/44/45/222234445.db2.gz LQGGFCAMIGFWQA-UHFFFAOYSA-N 1 1 383.883 3.147 40 0 GGABMO O=C(C[NH+]1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1)NCc1ccccc1 ZINC000072347883 222235173 /nfs/dbraw/zinc/23/51/73/222235173.db2.gz OOUKZFPFDPKHBJ-UHFFFAOYSA-N 1 1 399.878 3.201 40 0 GGABMO Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000072350583 222237417 /nfs/dbraw/zinc/23/74/17/222237417.db2.gz GTEXLKLBKZJRGJ-LJQANCHMSA-N 1 1 375.476 3.310 40 0 GGABMO Cc1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000072350584 222237871 /nfs/dbraw/zinc/23/78/71/222237871.db2.gz GTEXLKLBKZJRGJ-IBGZPJMESA-N 1 1 375.476 3.310 40 0 GGABMO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](Cc2ccc(C)c(C)c2)C3)C1 ZINC000072390921 222246147 /nfs/dbraw/zinc/24/61/47/222246147.db2.gz YLBUBNYGTWWOLG-FQEVSTJZSA-N 1 1 378.520 3.378 40 0 GGABMO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](Cc2ccc(C)c(C)c2)C3)C1 ZINC000072390921 222246151 /nfs/dbraw/zinc/24/61/51/222246151.db2.gz YLBUBNYGTWWOLG-FQEVSTJZSA-N 1 1 378.520 3.378 40 0 GGABMO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](Cc2ccc(C)c(C)c2)C3)C1 ZINC000072390920 222246720 /nfs/dbraw/zinc/24/67/20/222246720.db2.gz YLBUBNYGTWWOLG-HXUWFJFHSA-N 1 1 378.520 3.378 40 0 GGABMO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](Cc2ccc(C)c(C)c2)C3)C1 ZINC000072390920 222246725 /nfs/dbraw/zinc/24/67/25/222246725.db2.gz YLBUBNYGTWWOLG-HXUWFJFHSA-N 1 1 378.520 3.378 40 0 GGABMO NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000072391233 222248276 /nfs/dbraw/zinc/24/82/76/222248276.db2.gz OFKVAMQTCGUYCX-DEOSSOPVSA-N 1 1 386.499 3.454 40 0 GGABMO NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000072391234 222248680 /nfs/dbraw/zinc/24/86/80/222248680.db2.gz OFKVAMQTCGUYCX-XMMPIXPASA-N 1 1 386.499 3.454 40 0 GGABMO NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000072391308 222249555 /nfs/dbraw/zinc/24/95/55/222249555.db2.gz NZGUGQFIYVSFMQ-XMMPIXPASA-N 1 1 386.499 3.454 40 0 GGABMO O=c1cc([C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nc(-c2ccccn2)[nH]1 ZINC000072393229 222250752 /nfs/dbraw/zinc/25/07/52/222250752.db2.gz BKSPGTZKPSZBOK-AWEZNQCLSA-N 1 1 382.414 3.490 40 0 GGABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2cc(=O)[nH]c(-c3cccnc3)n2)C1 ZINC000072393053 222252167 /nfs/dbraw/zinc/25/21/67/222252167.db2.gz QSZSUOIFVXYPDI-QGZVFWFLSA-N 1 1 376.460 3.220 40 0 GGABMO CC1=C[C@H](C)[C@H](C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)CC1 ZINC000072335586 535252183 /nfs/dbraw/zinc/25/21/83/535252183.db2.gz ZXYQNHFYMWQQER-MLHJIOFPSA-N 1 1 386.540 3.146 40 0 GGABMO CCc1cc(N2CCOCC2)nc(C2=CC[N@H+](Cc3ccccc3F)CC2)n1 ZINC000072339560 536145772 /nfs/dbraw/zinc/14/57/72/536145772.db2.gz QCXXOWFSEKYNKQ-UHFFFAOYSA-N 1 1 382.483 3.304 40 0 GGABMO CCc1cc(N2CCOCC2)nc(C2=CC[N@@H+](Cc3ccccc3F)CC2)n1 ZINC000072339560 536145775 /nfs/dbraw/zinc/14/57/75/536145775.db2.gz QCXXOWFSEKYNKQ-UHFFFAOYSA-N 1 1 382.483 3.304 40 0 GGABMO CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC000514290343 560029863 /nfs/dbraw/zinc/02/98/63/560029863.db2.gz XXGZVBSFUAZMLU-IRLDBZIGSA-N 1 1 377.488 3.456 40 0 biogenic,in-vitro GGABMO COc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)C3CC3)[C@@H]2c2ccccc2)cc1 ZINC000514289925 560031487 /nfs/dbraw/zinc/03/14/87/560031487.db2.gz NOUQATZVLCCIPO-WPFOTENUSA-N 1 1 394.515 3.288 40 0 biogenic,in-vitro GGABMO CC[NH+](CC)Cc1nc(C2(O)CCN(C(=O)c3ccc(F)cc3)CC2)cs1 ZINC000225464285 560043376 /nfs/dbraw/zinc/04/33/76/560043376.db2.gz MXDTUMMEQLXWCB-UHFFFAOYSA-N 1 1 391.512 3.248 40 0 biogenic,in-vitro GGABMO c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1 ZINC000035424580 560081131 /nfs/dbraw/zinc/08/11/31/560081131.db2.gz VMERAUPHRAHXIY-IBGZPJMESA-N 1 1 391.475 3.305 40 0 biogenic,in-vitro GGABMO c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1 ZINC000035424580 560081132 /nfs/dbraw/zinc/08/11/32/560081132.db2.gz VMERAUPHRAHXIY-IBGZPJMESA-N 1 1 391.475 3.305 40 0 biogenic,in-vitro GGABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@@H+]4C)n3)cn2)cc1 ZINC000049155210 560083982 /nfs/dbraw/zinc/08/39/82/560083982.db2.gz YDNWQUMGBATCDP-INIZCTEOSA-N 1 1 379.420 3.159 40 0 biogenic,in-vitro GGABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4C)n3)cn2)cc1 ZINC000049155210 560083984 /nfs/dbraw/zinc/08/39/84/560083984.db2.gz YDNWQUMGBATCDP-INIZCTEOSA-N 1 1 379.420 3.159 40 0 biogenic,in-vitro GGABMO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000015674998 560095192 /nfs/dbraw/zinc/09/51/92/560095192.db2.gz ZPUXPCYTNODOLU-SJORKVTESA-N 1 1 379.416 3.082 40 0 biogenic,in-vitro GGABMO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000015674998 560095193 /nfs/dbraw/zinc/09/51/93/560095193.db2.gz ZPUXPCYTNODOLU-SJORKVTESA-N 1 1 379.416 3.082 40 0 biogenic,in-vitro GGABMO O=C(NCc1ccccc1)[C@@H]1Cc2nc[nH]c2CN1Cc1cc2ccccc2o1 ZINC000015676226 560095638 /nfs/dbraw/zinc/09/56/38/560095638.db2.gz JKPDYKYCYQMJPW-NRFANRHFSA-N 1 1 386.455 3.399 40 0 biogenic,in-vitro GGABMO O=c1ccc(-c2cncnc2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000005439538 560202145 /nfs/dbraw/zinc/20/21/45/560202145.db2.gz LPAMIHGLFMLPIB-DLBZAZTESA-N 1 1 376.435 3.064 40 0 biogenic,in-vitro GGABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(C5CCCCC5)c43)C2)CC1 ZINC000006137851 560205439 /nfs/dbraw/zinc/20/54/39/560205439.db2.gz GHHLXKAWFXFOGW-AZUAARDMSA-N 1 1 397.563 3.326 40 0 biogenic,in-vitro GGABMO COc1cc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc(OC)c1Br ZINC000007240815 564234564 /nfs/dbraw/zinc/23/45/64/564234564.db2.gz CYEVXODRXCQPJS-ZDUSSCGKSA-N 1 1 399.329 3.461 40 0 GGABMO C[N@H+](Cc1cccc(F)c1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000007791349 564240911 /nfs/dbraw/zinc/24/09/11/564240911.db2.gz OACOWBCDVJRQMH-UHFFFAOYSA-N 1 1 376.229 3.228 40 0 GGABMO C[N@@H+](Cc1cccc(F)c1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000007791349 564240913 /nfs/dbraw/zinc/24/09/13/564240913.db2.gz OACOWBCDVJRQMH-UHFFFAOYSA-N 1 1 376.229 3.228 40 0 GGABMO CCc1[nH+]ccn1CC(=O)Nc1ncc(-c2ccc(Br)cc2)n1C ZINC000012147196 564265554 /nfs/dbraw/zinc/26/55/54/564265554.db2.gz WYBHZDVOJIEVDT-UHFFFAOYSA-N 1 1 388.269 3.247 40 0 GGABMO NC(=O)c1c(NC(=O)C[NH2+]Cc2ccccc2Cl)sc2c1CCCC2 ZINC000057380624 564666890 /nfs/dbraw/zinc/66/68/90/564666890.db2.gz MSWPFFHXGNQHBH-UHFFFAOYSA-N 1 1 377.897 3.108 40 0 GGABMO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000059384292 564693623 /nfs/dbraw/zinc/69/36/23/564693623.db2.gz MVUTYBPAOJGUCR-BZSNNMDCSA-N 1 1 384.314 3.143 40 0 GGABMO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Cl)cc2Cl)cc1OC ZINC000072227105 564861657 /nfs/dbraw/zinc/86/16/57/564861657.db2.gz QGAUYIOHFBRJHW-IRXDYDNUSA-N 1 1 381.259 3.421 40 0 GGABMO Cc1cc2c(cc(I)n2S(=O)(=O)c2ccccc2)c[nH+]1 ZINC000095920097 564900437 /nfs/dbraw/zinc/90/04/37/564900437.db2.gz IWWFUNQYEKNAGV-UHFFFAOYSA-N 1 1 398.225 3.186 40 0 GGABMO CCCCCC(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000408627643 565614795 /nfs/dbraw/zinc/61/47/95/565614795.db2.gz MYDZXQYSUMMEJZ-UHFFFAOYSA-N 1 1 382.961 3.485 40 0 GGABMO CCOC[C@]1([NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218610225 565899491 /nfs/dbraw/zinc/89/94/91/565899491.db2.gz BSTHMDPOSYEXJF-QYZOEREBSA-N 1 1 379.909 3.322 40 0 GGABMO CCOC[C@@]1([NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218557192 565899530 /nfs/dbraw/zinc/89/95/30/565899530.db2.gz GGYIXJADWVAUAQ-GBESFXJTSA-N 1 1 379.909 3.322 40 0 GGABMO COC[C@]1([NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218622442 565899674 /nfs/dbraw/zinc/89/96/74/565899674.db2.gz WGLSPHQPRTYZED-ULQDDVLXSA-N 1 1 386.300 3.277 40 0 GGABMO CCOC[C@]1([NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218554644 565899680 /nfs/dbraw/zinc/89/96/80/565899680.db2.gz BJWBHRQGHBRVSJ-QYZOEREBSA-N 1 1 379.909 3.322 40 0 GGABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218610385 565899694 /nfs/dbraw/zinc/89/96/94/565899694.db2.gz BSTHMDPOSYEXJF-FHWLQOOXSA-N 1 1 379.909 3.322 40 0 GGABMO COC[C@]1([NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218624264 565899751 /nfs/dbraw/zinc/89/97/51/565899751.db2.gz DBJSAMHFVZSXHL-IKGGRYGDSA-N 1 1 386.300 3.277 40 0 GGABMO CCOC[C@@]1([NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218610307 565899779 /nfs/dbraw/zinc/89/97/79/565899779.db2.gz BSTHMDPOSYEXJF-GBESFXJTSA-N 1 1 379.909 3.322 40 0 GGABMO CCOC[C@@]1([NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218557050 565899917 /nfs/dbraw/zinc/89/99/17/565899917.db2.gz GGYIXJADWVAUAQ-CEXWTWQISA-N 1 1 379.909 3.322 40 0 GGABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218659038 565901041 /nfs/dbraw/zinc/90/10/41/565901041.db2.gz FGIDHNHMDHHYER-BZSNNMDCSA-N 1 1 383.872 3.153 40 0 GGABMO O=S(=O)(NCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(F)cc1 ZINC000222989052 565907064 /nfs/dbraw/zinc/90/70/64/565907064.db2.gz YIEOUIBKPPAJFR-UHFFFAOYSA-N 1 1 379.844 3.418 40 0 GGABMO CC[NH+]1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000224880826 565912293 /nfs/dbraw/zinc/91/22/93/565912293.db2.gz KYILXPSYRNSNBQ-UHFFFAOYSA-N 1 1 392.297 3.201 40 0 GGABMO O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238848239 565982969 /nfs/dbraw/zinc/98/29/69/565982969.db2.gz IVLQYEHZSUWQMJ-GOSISDBHSA-N 1 1 376.909 3.161 40 0 GGABMO O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238848239 565982974 /nfs/dbraw/zinc/98/29/74/565982974.db2.gz IVLQYEHZSUWQMJ-GOSISDBHSA-N 1 1 376.909 3.161 40 0 GGABMO COC[C@]1([NH3+])[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242701527 565984656 /nfs/dbraw/zinc/98/46/56/565984656.db2.gz WGLSPHQPRTYZED-BBWFWOEESA-N 1 1 386.300 3.277 40 0 GGABMO C[N@H+]1CCCC[C@@H](CNC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000624609095 567790217 /nfs/dbraw/zinc/79/02/17/567790217.db2.gz OJFXAXGHMSRSEL-NSHDSACASA-N 1 1 390.272 3.258 40 0 GGABMO C[N@H+]1CCCC[C@H](CNC(=O)NCc2cc(F)c(Br)cc2F)C1 ZINC000624609094 567790373 /nfs/dbraw/zinc/79/03/73/567790373.db2.gz OJFXAXGHMSRSEL-LLVKDONJSA-N 1 1 390.272 3.258 40 0 GGABMO COc1cccc(CN[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+]2CCCCC2)c1 ZINC000585262378 570230061 /nfs/dbraw/zinc/23/00/61/570230061.db2.gz DLVBSWAQQNAQEX-LWSSLDFYSA-N 1 1 396.531 3.220 40 0 GGABMO Cc1cc(O[C@H]2C[N@@H+](Cc3ccc(OCC(C)(C)O)cc3)C[C@@H]2O)cc(C)c1C ZINC000585269140 570234524 /nfs/dbraw/zinc/23/45/24/570234524.db2.gz OEHCJCKWLZEKIA-GOTSBHOMSA-N 1 1 399.531 3.386 40 0 GGABMO CCN1CC[NH+](Cc2ccc(CNC(=O)CCCc3ccccc3)cc2)CC1 ZINC000048340316 570239043 /nfs/dbraw/zinc/23/90/43/570239043.db2.gz AXGHWVWXJJVLGV-UHFFFAOYSA-N 1 1 379.548 3.463 40 0 GGABMO CC(C)N1C[C@H](C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC000048373999 570248842 /nfs/dbraw/zinc/24/88/42/570248842.db2.gz LQQCHJBBTHUPFP-LVCYWYKZSA-N 1 1 385.552 3.038 40 0 GGABMO Cn1ccc(C[NH+]2CCC(c3cccc(-c4noc(C(F)(F)F)n4)n3)CC2)n1 ZINC000585289475 570257338 /nfs/dbraw/zinc/25/73/38/570257338.db2.gz HTDMYDIYVYGGJY-UHFFFAOYSA-N 1 1 392.385 3.264 40 0 GGABMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](C)c1ccc3c(c1)CCCC3)[nH]c2=O ZINC000049597292 570270774 /nfs/dbraw/zinc/27/07/74/570270774.db2.gz GETOPXQMZHCPNN-AWEZNQCLSA-N 1 1 391.471 3.439 40 0 GGABMO O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021450075 570295916 /nfs/dbraw/zinc/29/59/16/570295916.db2.gz XAQFRWMQFBRFBZ-GOSISDBHSA-N 1 1 397.906 3.037 40 0 GGABMO Fc1ccc(C[N@H+]2CC[C@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000107248515 570309055 /nfs/dbraw/zinc/30/90/55/570309055.db2.gz AHGUMKRQOWCVCL-QFIPXVFZSA-N 1 1 376.435 3.352 40 0 GGABMO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(C(F)(F)F)cc2)cc1OC ZINC000072227101 570319085 /nfs/dbraw/zinc/31/90/85/570319085.db2.gz NFTSSTMAWUCGBG-IRXDYDNUSA-N 1 1 380.366 3.133 40 0 GGABMO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CN1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000022805018 570329222 /nfs/dbraw/zinc/32/92/22/570329222.db2.gz NCJVODIDTPEQSO-AZKZNFPZSA-N 1 1 386.580 3.397 40 0 GGABMO COc1ccc([C@H](CNS(=O)(=O)c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000023994217 570341846 /nfs/dbraw/zinc/34/18/46/570341846.db2.gz QZBLHALNFZREJP-IBGZPJMESA-N 1 1 394.924 3.464 40 0 GGABMO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000023408944 570361395 /nfs/dbraw/zinc/36/13/95/570361395.db2.gz MPFAKPMSMAGBCG-UPVQGACJSA-N 1 1 382.548 3.488 40 0 GGABMO O=S(=O)(c1ccccc1C(F)(F)F)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000057681255 570365646 /nfs/dbraw/zinc/36/56/46/570365646.db2.gz KEADPZJPSHOQAB-HNNXBMFYSA-N 1 1 388.455 3.368 40 0 GGABMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000022781940 570377227 /nfs/dbraw/zinc/37/72/27/570377227.db2.gz WZSVGQASAQJTHY-PZJWPPBQSA-N 1 1 393.531 3.477 40 0 GGABMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000024959844 570379856 /nfs/dbraw/zinc/37/98/56/570379856.db2.gz IIGQEJOGAJWRQT-BGYRXZFFSA-N 1 1 393.531 3.258 40 0 GGABMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000024959844 570379858 /nfs/dbraw/zinc/37/98/58/570379858.db2.gz IIGQEJOGAJWRQT-BGYRXZFFSA-N 1 1 393.531 3.258 40 0 GGABMO CC(C)(CNC(=O)/C=C/c1ccc2c(c1)OCO2)[N@H+]1CCc2ccccc2C1 ZINC000029160795 570408831 /nfs/dbraw/zinc/40/88/31/570408831.db2.gz IYOFQVLQFXUQLU-CSKARUKUSA-N 1 1 378.472 3.382 40 0 GGABMO COc1ccc(S(=O)(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000222990305 570435549 /nfs/dbraw/zinc/43/55/49/570435549.db2.gz NWIXGWAXPNXKCK-UHFFFAOYSA-N 1 1 391.880 3.287 40 0 GGABMO COc1ccc2cc(S(=O)(=O)NCCC[N@H+]3CCC[C@@H](C)C3)ccc2c1 ZINC000223214056 570450338 /nfs/dbraw/zinc/45/03/38/570450338.db2.gz XVHYCLBGDQZRPX-MRXNPFEDSA-N 1 1 376.522 3.249 40 0 GGABMO COCCOc1cc(C[N@@H+](C)C[C@@H](O)Cn2ccc3ccccc32)ccc1OC ZINC000257209390 570487453 /nfs/dbraw/zinc/48/74/53/570487453.db2.gz BQECFMVEZIFSKI-HXUWFJFHSA-N 1 1 398.503 3.168 40 0 GGABMO Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@@H](O)COC2CCCCC2)cc1 ZINC000257248969 570488053 /nfs/dbraw/zinc/48/80/53/570488053.db2.gz JGBHZRKSQTXSRQ-LJQANCHMSA-N 1 1 387.524 3.141 40 0 GGABMO C[C@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027297466 570492650 /nfs/dbraw/zinc/49/26/50/570492650.db2.gz KMOCKMFSEIAIPH-CQSZACIVSA-N 1 1 393.409 3.438 40 0 GGABMO C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027297466 570492651 /nfs/dbraw/zinc/49/26/51/570492651.db2.gz KMOCKMFSEIAIPH-CQSZACIVSA-N 1 1 393.409 3.438 40 0 GGABMO O=C(CCSCc1ccccc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224567084 570518586 /nfs/dbraw/zinc/51/85/86/570518586.db2.gz MODJXTLHZNPUTM-UHFFFAOYSA-N 1 1 384.545 3.459 40 0 GGABMO Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000224574683 570518916 /nfs/dbraw/zinc/51/89/16/570518916.db2.gz IKJDEAGPASKYHN-IBGZPJMESA-N 1 1 382.504 3.219 40 0 GGABMO COc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000224586822 570519507 /nfs/dbraw/zinc/51/95/07/570519507.db2.gz PEOPKAKHIQFPKO-UHFFFAOYSA-N 1 1 382.504 3.085 40 0 GGABMO CCOc1cc(/C=C/C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000028086812 570526949 /nfs/dbraw/zinc/52/69/49/570526949.db2.gz PRRMTCFJWNMYSF-ZRDIBKRKSA-N 1 1 380.488 3.452 40 0 GGABMO O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000043610210 570538926 /nfs/dbraw/zinc/53/89/26/570538926.db2.gz ONTDZFGREIMZKK-MRXNPFEDSA-N 1 1 391.437 3.335 40 0 GGABMO C[N@@H+]1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)[C@H](c2ccccc2)C1 ZINC000022840421 570556995 /nfs/dbraw/zinc/55/69/95/570556995.db2.gz OCBSYXVOLLXCRZ-IBGZPJMESA-N 1 1 387.524 3.149 40 0 GGABMO C[N@H+]1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)[C@H](c2ccccc2)C1 ZINC000022840421 570556996 /nfs/dbraw/zinc/55/69/96/570556996.db2.gz OCBSYXVOLLXCRZ-IBGZPJMESA-N 1 1 387.524 3.149 40 0 GGABMO CC(C)NC(=O)Cn1cc(CN2CCC[C@@H](C[NH+]3CCCC3)C2)c2ccccc21 ZINC000036741517 570569844 /nfs/dbraw/zinc/56/98/44/570569844.db2.gz GDTGKYFODZEAQG-FQEVSTJZSA-N 1 1 396.579 3.474 40 0 GGABMO O=C(CCc1nc(-c2cccs2)no1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038374929 570579229 /nfs/dbraw/zinc/57/92/29/570579229.db2.gz VIENQXBTVHTYBH-UHFFFAOYSA-N 1 1 382.489 3.075 40 0 GGABMO COc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000038836134 570587026 /nfs/dbraw/zinc/58/70/26/570587026.db2.gz AWVVDMCZTRBMLR-OAQYLSRUSA-N 1 1 393.531 3.256 40 0 GGABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850768 570587516 /nfs/dbraw/zinc/58/75/16/570587516.db2.gz LYIQXVWCMHGJPY-JOCHJYFZSA-N 1 1 395.522 3.382 40 0 GGABMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000038851317 570587741 /nfs/dbraw/zinc/58/77/41/570587741.db2.gz GPLVINWARIJZAW-HXUWFJFHSA-N 1 1 381.495 3.387 40 0 GGABMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850719 570587851 /nfs/dbraw/zinc/58/78/51/570587851.db2.gz PNYPIZFLKAXIHK-QHCPKHFHSA-N 1 1 377.532 3.243 40 0 GGABMO C=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H]([NH3+])[C@H]2SC1 ZINC000039303245 570589615 /nfs/dbraw/zinc/58/96/15/570589615.db2.gz PGRIZKHTKNBWQC-DYESRHJHSA-N 1 1 392.480 3.002 40 0 GGABMO O=C(NCCCn1ccnc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225584816 570591398 /nfs/dbraw/zinc/59/13/98/570591398.db2.gz HVZKVNSLWOGDMS-UHFFFAOYSA-N 1 1 378.879 3.094 40 0 GGABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(C(=O)N(C)C)cc1 ZINC000225584756 570591438 /nfs/dbraw/zinc/59/14/38/570591438.db2.gz RMHLULNFBHXHKO-SFHVURJKSA-N 1 1 376.570 3.329 40 0 GGABMO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000225619257 570594628 /nfs/dbraw/zinc/59/46/28/570594628.db2.gz CZEXFFPYOAEJNX-OAQYLSRUSA-N 1 1 378.513 3.322 40 0 GGABMO CO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCC[C@@H](C)C1 ZINC000225636439 570596884 /nfs/dbraw/zinc/59/68/84/570596884.db2.gz BNMNKGUFKGMKQG-GCJKJVERSA-N 1 1 390.524 3.322 40 0 GGABMO CCCO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000225672706 570601466 /nfs/dbraw/zinc/60/14/66/570601466.db2.gz AKPLKRSAFCDMQG-JOCHJYFZSA-N 1 1 390.524 3.322 40 0 GGABMO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000225693377 570604132 /nfs/dbraw/zinc/60/41/32/570604132.db2.gz WHKSPCRZFBTJLK-OAQYLSRUSA-N 1 1 378.513 3.322 40 0 GGABMO COc1ccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)cc1OC ZINC000225742611 570611802 /nfs/dbraw/zinc/61/18/02/570611802.db2.gz SPBUHPDGIRZSAA-UHFFFAOYSA-N 1 1 385.533 3.439 40 0 GGABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@@H+](Cc3ccccn3)C1)O2 ZINC000012135318 570613871 /nfs/dbraw/zinc/61/38/71/570613871.db2.gz OQSWNBFMCWVUAM-FDDCHVKYSA-N 1 1 395.503 3.112 40 0 GGABMO CC[N@H+]1CCC[C@@H](NC(=O)Cn2ccc3ccnc(-c4cccc(OC)c4)c32)C1 ZINC000012134766 570614214 /nfs/dbraw/zinc/61/42/14/570614214.db2.gz TWDVWLGBHRPBQB-LJQANCHMSA-N 1 1 392.503 3.312 40 0 GGABMO CC[N@H+]1CCC[C@H](NC(=O)Cn2ccc3ccnc(-c4cccc(OC)c4)c32)C1 ZINC000012134768 570614237 /nfs/dbraw/zinc/61/42/37/570614237.db2.gz TWDVWLGBHRPBQB-IBGZPJMESA-N 1 1 392.503 3.312 40 0 GGABMO CCOC(=O)[C@@H]1CCCN(c2nc(C)nc3c2CC[N@H+](Cc2ccccc2)C3)C1 ZINC000012142756 570614868 /nfs/dbraw/zinc/61/48/68/570614868.db2.gz BBKQYKDSFRGBMI-LJQANCHMSA-N 1 1 394.519 3.123 40 0 GGABMO CCOC(=O)[C@@H]1CCCN(c2nc(C)nc3c2CC[N@@H+](Cc2ccccc2)C3)C1 ZINC000012142756 570614874 /nfs/dbraw/zinc/61/48/74/570614874.db2.gz BBKQYKDSFRGBMI-LJQANCHMSA-N 1 1 394.519 3.123 40 0 GGABMO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2)Nc1ccc2c(c1)OCO2 ZINC000012144511 570616002 /nfs/dbraw/zinc/61/60/02/570616002.db2.gz VGOBIDNZTZLBFV-XVQYUUQNSA-N 1 1 398.434 3.008 40 0 GGABMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2)Nc1ccc2c(c1)OCO2 ZINC000012144511 570616005 /nfs/dbraw/zinc/61/60/05/570616005.db2.gz VGOBIDNZTZLBFV-XVQYUUQNSA-N 1 1 398.434 3.008 40 0 GGABMO CN1CCN(C(=O)[C@]23CCC[C@H]2[N@@H+](Cc2ccc(F)c(F)c2)CC=CC3)CC1 ZINC000012183459 570619912 /nfs/dbraw/zinc/61/99/12/570619912.db2.gz GOFXZLIQHBWHBC-IFMALSPDSA-N 1 1 389.490 3.040 40 0 GGABMO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CC[N@H+](Cc2cc(C)c(C)o2)C4)no1 ZINC000012185491 570620300 /nfs/dbraw/zinc/62/03/00/570620300.db2.gz NOSVVUBZHMDXTN-UHFFFAOYSA-N 1 1 379.420 3.166 40 0 GGABMO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CC[N@@H+](Cc2cc(C)c(C)o2)C4)no1 ZINC000012185491 570620303 /nfs/dbraw/zinc/62/03/03/570620303.db2.gz NOSVVUBZHMDXTN-UHFFFAOYSA-N 1 1 379.420 3.166 40 0 GGABMO Cc1nc(C2=CC[N@H+](Cc3ccccc3F)CC2)nc(N2CCOCC2)c1C ZINC000012185787 570620415 /nfs/dbraw/zinc/62/04/15/570620415.db2.gz WZFMYUITUGJUFW-UHFFFAOYSA-N 1 1 382.483 3.358 40 0 GGABMO Cc1nc(C2=CC[N@@H+](Cc3ccccc3F)CC2)nc(N2CCOCC2)c1C ZINC000012185787 570620419 /nfs/dbraw/zinc/62/04/19/570620419.db2.gz WZFMYUITUGJUFW-UHFFFAOYSA-N 1 1 382.483 3.358 40 0 GGABMO Cn1c2ccc(C[N@H+](Cc3cccc(F)c3)C[C@@H]3CCCO3)cc2n(C)c1=O ZINC000012187155 570621387 /nfs/dbraw/zinc/62/13/87/570621387.db2.gz SASMJNIVZBQFMJ-IBGZPJMESA-N 1 1 383.467 3.197 40 0 GGABMO Cn1c2ccc(C[N@H+](Cc3ccc(F)cc3)C[C@H]3CCCO3)cc2n(C)c1=O ZINC000012187125 570621455 /nfs/dbraw/zinc/62/14/55/570621455.db2.gz ZDGNXDVACWGNDU-LJQANCHMSA-N 1 1 383.467 3.197 40 0 GGABMO CCC[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000012188579 570621769 /nfs/dbraw/zinc/62/17/69/570621769.db2.gz XKVHBRQNXOEAND-NRFANRHFSA-N 1 1 397.519 3.083 40 0 GGABMO CC[C@H]1c2ccc(C)n2CC[N@H+]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000012188632 570621832 /nfs/dbraw/zinc/62/18/32/570621832.db2.gz BCQKVUORLHTAHL-NRFANRHFSA-N 1 1 397.519 3.001 40 0 GGABMO CC[C@H]1c2ccc(C)n2CC[N@@H+]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000012188632 570621836 /nfs/dbraw/zinc/62/18/36/570621836.db2.gz BCQKVUORLHTAHL-NRFANRHFSA-N 1 1 397.519 3.001 40 0 GGABMO CC(=O)NCCn1nc([C@H]2CCC[N@@H+](CC3CCCCC3)C2)c2cccnc21 ZINC000012219493 570627193 /nfs/dbraw/zinc/62/71/93/570627193.db2.gz FHLPROHONOKMSW-IBGZPJMESA-N 1 1 383.540 3.327 40 0 GGABMO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](CC(=O)NC3CCCCC3)CC1)O2 ZINC000012241787 570630516 /nfs/dbraw/zinc/63/05/16/570630516.db2.gz DIBRPVOQPAVNCZ-HXUWFJFHSA-N 1 1 386.536 3.403 40 0 GGABMO COc1ccc(OC[C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000044908722 570642487 /nfs/dbraw/zinc/64/24/87/570642487.db2.gz DBVWIKZKCUPEJB-INIZCTEOSA-N 1 1 379.460 3.446 40 0 GGABMO CN(C)c1ncc(C[NH+]2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC000012328647 570643589 /nfs/dbraw/zinc/64/35/89/570643589.db2.gz DEMVEAIABPTSIS-UHFFFAOYSA-N 1 1 380.414 3.045 40 0 GGABMO Cc1nc2c(c(N3CC[N@H+]4CCCC[C@@H]4C3)n1)CCN(Cc1ccccc1)C2 ZINC000012338368 570645274 /nfs/dbraw/zinc/64/52/74/570645274.db2.gz WRGAWXOSVNTDKQ-HXUWFJFHSA-N 1 1 377.536 3.018 40 0 GGABMO CCn1c(SC)nnc1C1CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000005001380 570651882 /nfs/dbraw/zinc/65/18/82/570651882.db2.gz FTBHPLNDQDJGCB-UHFFFAOYSA-N 1 1 399.564 3.327 40 0 GGABMO Cc1ccccc1NC(=O)NC1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000004981882 570655956 /nfs/dbraw/zinc/65/59/56/570655956.db2.gz LPYZIZBAZXMNHW-SFHVURJKSA-N 1 1 384.524 3.126 40 0 GGABMO Cc1cc(C[N@@H+]2CCC[C@H](Cn3nnc4c3nc(C(C)C)[nH]c4=O)C2)cs1 ZINC000012471242 570672691 /nfs/dbraw/zinc/67/26/91/570672691.db2.gz BWNNOGBDNYUVNZ-AWEZNQCLSA-N 1 1 386.525 3.332 40 0 GGABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2)C1 ZINC000260910221 570714151 /nfs/dbraw/zinc/71/41/51/570714151.db2.gz XINZYEQLHNRKMD-XLIONFOSSA-N 1 1 380.488 3.488 40 0 GGABMO CCN(C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1 ZINC000015042562 570721904 /nfs/dbraw/zinc/72/19/04/570721904.db2.gz BQKCPEWNIWCVCK-UHFFFAOYSA-N 1 1 381.476 3.096 40 0 GGABMO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000015049827 570723356 /nfs/dbraw/zinc/72/33/56/570723356.db2.gz HJVQCTDOHXZWKD-OAHLLOKOSA-N 1 1 389.883 3.065 40 0 GGABMO CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)Cc1ccc2c(c1)OCO2 ZINC000058372944 570729774 /nfs/dbraw/zinc/72/97/74/570729774.db2.gz WHKKYQVDIGUQOY-OAHLLOKOSA-N 1 1 395.459 3.001 40 0 GGABMO CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)Cc1ccc2c(c1)OCO2 ZINC000058372944 570729777 /nfs/dbraw/zinc/72/97/77/570729777.db2.gz WHKKYQVDIGUQOY-OAHLLOKOSA-N 1 1 395.459 3.001 40 0 GGABMO Cc1cc(OCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1Cl ZINC000012996438 570739770 /nfs/dbraw/zinc/73/97/70/570739770.db2.gz CESOMYHQWNUMNN-UHFFFAOYSA-N 1 1 388.895 3.176 40 0 GGABMO Cc1c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)sc2nc(C)cc(C)c12 ZINC000025393766 570749755 /nfs/dbraw/zinc/74/97/55/570749755.db2.gz ZEMGJLXKGYFYJB-MRXNPFEDSA-N 1 1 375.538 3.308 40 0 GGABMO Cn1nc([C@@H]2C[N@H+](CC3CC3)CCO2)cc1CCOc1ccccc1Cl ZINC000257235795 570766316 /nfs/dbraw/zinc/76/63/16/570766316.db2.gz GZMRWGQDZQXKPB-FQEVSTJZSA-N 1 1 375.900 3.478 40 0 GGABMO Cn1nc([C@@H]2C[N@@H+](CC3CC3)CCO2)cc1CCOc1ccccc1Cl ZINC000257235795 570766320 /nfs/dbraw/zinc/76/63/20/570766320.db2.gz GZMRWGQDZQXKPB-FQEVSTJZSA-N 1 1 375.900 3.478 40 0 GGABMO Cc1ccc(C[N@@H+]2CC[C@H](c3nc(C)c(CC(=O)N(C)C)c(C)n3)C2)cc1C ZINC000257234729 570766409 /nfs/dbraw/zinc/76/64/09/570766409.db2.gz GUWHTCBWFPRRJE-FQEVSTJZSA-N 1 1 380.536 3.330 40 0 GGABMO CC(=O)Nc1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C(C)=O)cc1 ZINC000257239672 570767902 /nfs/dbraw/zinc/76/79/02/570767902.db2.gz HQHYQBUFOHNXPB-WXFUMESZSA-N 1 1 391.515 3.481 40 0 GGABMO CC[NH+](CC)CCNCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000022029863 570778295 /nfs/dbraw/zinc/77/82/95/570778295.db2.gz XHJNTDZDGXRUNZ-UHFFFAOYSA-N 1 1 387.911 3.441 40 0 GGABMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000032739417 570785522 /nfs/dbraw/zinc/78/55/22/570785522.db2.gz UDCUAHYMWSJVII-QGZVFWFLSA-N 1 1 389.515 3.059 40 0 GGABMO CC[C@H](Oc1ccccc1F)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000175354453 570805826 /nfs/dbraw/zinc/80/58/26/570805826.db2.gz GOLJKCIQVVMVEA-FQEVSTJZSA-N 1 1 386.467 3.132 40 0 GGABMO Cc1cccc(OCCNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000032824673 570838852 /nfs/dbraw/zinc/83/88/52/570838852.db2.gz XUDSOUXDJCDOPU-OALUTQOASA-N 1 1 382.504 3.413 40 0 GGABMO O=C(CCc1cccc(F)c1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000032827698 570840584 /nfs/dbraw/zinc/84/05/84/570840584.db2.gz ZHOYZINYDWHUGE-UHFFFAOYSA-N 1 1 383.511 3.082 40 0 GGABMO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccc3c(c2)C[C@H](C)O3)n1 ZINC000013992035 570868863 /nfs/dbraw/zinc/86/88/63/570868863.db2.gz GFXPYYOCXHYASD-GHTZIAJQSA-N 1 1 395.503 3.480 40 0 GGABMO O=C(NC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@@H]1OCOc2ccccc21 ZINC000013995989 570869494 /nfs/dbraw/zinc/86/94/94/570869494.db2.gz MBRGYORKLQJGCJ-SIKLNZKXSA-N 1 1 380.488 3.165 40 0 GGABMO CC[N@H+]1CCC[C@H]1CNc1c2c(nc3cc(C4CCOCC4)nn31)CCCC2 ZINC000072336899 570879907 /nfs/dbraw/zinc/87/99/07/570879907.db2.gz BHJJBNQONGTISX-KRWDZBQOSA-N 1 1 383.540 3.398 40 0 GGABMO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccccc3C)=NO2)CCC[N@H+](CC(C)=O)C1 ZINC000072337733 570879929 /nfs/dbraw/zinc/87/99/29/570879929.db2.gz PUFWNYIRQSBAGQ-AVRDEDQJSA-N 1 1 386.492 3.112 40 0 GGABMO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccccc3C)=NO2)CCC[N@@H+](CC(C)=O)C1 ZINC000072337733 570879933 /nfs/dbraw/zinc/87/99/33/570879933.db2.gz PUFWNYIRQSBAGQ-AVRDEDQJSA-N 1 1 386.492 3.112 40 0 GGABMO COCc1cc(N2CCCC2)nc(C2=CC[N@@H+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000072339619 570880048 /nfs/dbraw/zinc/88/00/48/570880048.db2.gz KKGDUXAPXGFXLT-NRFANRHFSA-N 1 1 394.519 3.046 40 0 GGABMO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@H+](Cc2nccs2)CC3)cs1 ZINC000585100560 570924680 /nfs/dbraw/zinc/92/46/80/570924680.db2.gz NOPZOYKMDNKEJC-GOSISDBHSA-N 1 1 376.551 3.455 40 0 GGABMO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@@H+](Cc2nccs2)CC3)cs1 ZINC000585100560 570924684 /nfs/dbraw/zinc/92/46/84/570924684.db2.gz NOPZOYKMDNKEJC-GOSISDBHSA-N 1 1 376.551 3.455 40 0 GGABMO Cc1ncc(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3cncs3)CC2)s1 ZINC000585100700 570925190 /nfs/dbraw/zinc/92/51/90/570925190.db2.gz UBJDMGWKBVOHAD-GOSISDBHSA-N 1 1 376.551 3.455 40 0 GGABMO CC(C)CC[N@H+]1CCC[C@]2(CCCN2C(=O)CNC(=O)c2ccccc2)CC1 ZINC000585100683 570925200 /nfs/dbraw/zinc/92/52/00/570925200.db2.gz SRXDUPPFAKTZDF-QHCPKHFHSA-N 1 1 385.552 3.310 40 0 GGABMO CC(C)C[C@@H](c1nnnn1Cc1ccco1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019446911 570925852 /nfs/dbraw/zinc/92/58/52/570925852.db2.gz NISUJDPYCMMLTI-NRFANRHFSA-N 1 1 394.523 3.219 40 0 GGABMO Cc1c(C[N@H+]2CCC[C@]3(CCC(=O)N3C[C@H]3CCCO3)CC2)nc2ccccn12 ZINC000585099850 570926421 /nfs/dbraw/zinc/92/64/21/570926421.db2.gz IMJAENNKHWJFGO-XXBNENTESA-N 1 1 396.535 3.169 40 0 GGABMO O=C(COc1ccc2ccccc2c1)N1CCC[C@]2(CC[N@H+]2C[C@@H]2CCCO2)C1 ZINC000585101873 570927490 /nfs/dbraw/zinc/92/74/90/570927490.db2.gz JWCNQOOJDJSGQR-UPVQGACJSA-N 1 1 394.515 3.465 40 0 GGABMO O=C(C[N@@H+]1CC[C@]12CCCN(C(=O)c1ccc3ccccc3c1)C2)N1CCCC1 ZINC000585101722 570927521 /nfs/dbraw/zinc/92/75/21/570927521.db2.gz BOFFBAKMAYTKSU-DEOSSOPVSA-N 1 1 391.515 3.143 40 0 GGABMO O=C(C[N@H+]1CC[C@]12CCCN(C(=O)c1ccc3ccccc3c1)C2)N1CCCC1 ZINC000585101722 570927523 /nfs/dbraw/zinc/92/75/23/570927523.db2.gz BOFFBAKMAYTKSU-DEOSSOPVSA-N 1 1 391.515 3.143 40 0 GGABMO COc1cccc2cc(C(=O)N3CCC[C@@]4(CC[N@H+]4C[C@H]4CCCO4)C3)oc21 ZINC000585102341 570930668 /nfs/dbraw/zinc/93/06/68/570930668.db2.gz XJPRYEQKSNXINP-VGOFRKELSA-N 1 1 384.476 3.301 40 0 GGABMO CC1CCC(C(=O)N2CC[C@]3(C2)C[N@@H+](C)C[C@H]3COCc2ccccn2)CC1 ZINC000585102673 570930988 /nfs/dbraw/zinc/93/09/88/570930988.db2.gz FTEMZVPXXBLYNN-SQKGIWRMSA-N 1 1 385.552 3.205 40 0 GGABMO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H](C)C4)C3)CC2)c1 ZINC000585103046 570931556 /nfs/dbraw/zinc/93/15/56/570931556.db2.gz BQXLQJOMVTYREW-RBUKOAKNSA-N 1 1 386.536 3.444 40 0 GGABMO Cc1ccc(C)c(C[N@H+]2CCOC[C@@]3(CC(=O)N(Cc4cncs4)C3)C2)c1 ZINC000585104559 570933641 /nfs/dbraw/zinc/93/36/41/570933641.db2.gz QETYGXPWCLLTKD-NRFANRHFSA-N 1 1 385.533 3.011 40 0 GGABMO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](Cc4nccn4C)C[C@@H]32)o1 ZINC000585109541 570937747 /nfs/dbraw/zinc/93/77/47/570937747.db2.gz BAFIBLABCDUHDY-BBTUJRGHSA-N 1 1 376.460 3.022 40 0 GGABMO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](Cc4nccn4C)C[C@@H]32)o1 ZINC000585109541 570937749 /nfs/dbraw/zinc/93/77/49/570937749.db2.gz BAFIBLABCDUHDY-BBTUJRGHSA-N 1 1 376.460 3.022 40 0 GGABMO Cc1cccc(CS(=O)(=O)N2CC[C@H]3[C@@H](C[N@H+]3CC3CCCCC3)C2)c1 ZINC000585107884 570939557 /nfs/dbraw/zinc/93/95/57/570939557.db2.gz APCZMRILRNABBR-SFTDATJTSA-N 1 1 376.566 3.411 40 0 GGABMO Cc1cccc(CS(=O)(=O)N2CC[C@@H]3[C@H](C[N@H+]3CC3CCCCC3)C2)c1 ZINC000585107882 570939686 /nfs/dbraw/zinc/93/96/86/570939686.db2.gz APCZMRILRNABBR-NHCUHLMSSA-N 1 1 376.566 3.411 40 0 GGABMO Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](C[N@@H+]2C[C@H](C)c2ccccc2)C1 ZINC000585108008 570939865 /nfs/dbraw/zinc/93/98/65/570939865.db2.gz UOUVFJZECRNRSD-SESVDKBCSA-N 1 1 384.545 3.494 40 0 GGABMO O=C(C1CC(F)C1)N1CCO[C@@H](c2[nH+]cn3cc(-c4ccncc4)ccc23)C1 ZINC000585113168 570943702 /nfs/dbraw/zinc/94/37/02/570943702.db2.gz UWGZNTXOGULTNJ-FAFZWHIHSA-N 1 1 380.423 3.044 40 0 GGABMO O=S(=O)(Cc1ccccc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020522862 570951503 /nfs/dbraw/zinc/95/15/03/570951503.db2.gz FQXDVKLGMIIVEA-UHFFFAOYSA-N 1 1 380.513 3.487 40 0 GGABMO CC[C@H](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12)N1Cc2ccccc2C1=O ZINC000225413406 570953266 /nfs/dbraw/zinc/95/32/66/570953266.db2.gz HANDTSCJNTVQLR-KKXYHZGYSA-N 1 1 397.563 3.438 40 0 GGABMO FC(F)(F)c1ccc(N2CCN(C3CC[NH+](Cc4ccoc4)CC3)CC2)nc1 ZINC000252497508 570975658 /nfs/dbraw/zinc/97/56/58/570975658.db2.gz QJQZLOARBOPJNZ-UHFFFAOYSA-N 1 1 394.441 3.480 40 0 GGABMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000108938012 570993276 /nfs/dbraw/zinc/99/32/76/570993276.db2.gz RUMJSJSRRROLSH-CHWSQXEVSA-N 1 1 388.386 3.187 40 0 GGABMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000108938012 570993277 /nfs/dbraw/zinc/99/32/77/570993277.db2.gz RUMJSJSRRROLSH-CHWSQXEVSA-N 1 1 388.386 3.187 40 0 GGABMO Cc1nnnn1-c1cccc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000045689371 570995197 /nfs/dbraw/zinc/99/51/97/570995197.db2.gz WQHYQAWCBNCUIY-GOSISDBHSA-N 1 1 399.886 3.049 40 0 GGABMO Cc1ccc(OCCC[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C ZINC000025924927 570999786 /nfs/dbraw/zinc/99/97/86/570999786.db2.gz ZYZLMESTDZGZDF-KRWDZBQOSA-N 1 1 376.522 3.413 40 0 GGABMO C[NH+](C)CC(=O)Nc1cccc(CNC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000046038970 571015145 /nfs/dbraw/zinc/01/51/45/571015145.db2.gz HVKMNYZXYWYJKP-UHFFFAOYSA-N 1 1 392.503 3.307 40 0 GGABMO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@@H]3Cn3cccn3)n2)cc1 ZINC000019656757 571023776 /nfs/dbraw/zinc/02/37/76/571023776.db2.gz JPUBDOUFEDVAIG-QGZVFWFLSA-N 1 1 381.505 3.418 40 0 GGABMO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@@H]3Cn3cccn3)n2)cc1 ZINC000019656757 571023778 /nfs/dbraw/zinc/02/37/78/571023778.db2.gz JPUBDOUFEDVAIG-QGZVFWFLSA-N 1 1 381.505 3.418 40 0 GGABMO O=c1ccc(-c2ccccc2F)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(CO)o2)C1 ZINC000020503420 575369872 /nfs/dbraw/zinc/36/98/72/575369872.db2.gz MMYYTWCZLKJQKL-JKSUJKDBSA-N 1 1 394.446 3.359 40 0 biogenic,in-vitro GGABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000006953553 1398577388 /nfs/dbraw/zinc/57/73/88/1398577388.db2.gz LDNUVTWIPQHUKT-UHFFFAOYSA-N 1 1 397.544 3.326 40 0 GGABMO CCc1ccc(NC(=O)COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2)cc1 ZINC000008086064 1398801990 /nfs/dbraw/zinc/80/19/90/1398801990.db2.gz YHMSJWLLEBBWGE-UHFFFAOYSA-N 1 1 397.544 3.189 40 0 GGABMO CCOC(=O)[C@@]1(C[C@H]2CC(c3ccccc3C)=NO2)CCC[N@H+](CC(C)=O)C1 ZINC000012157125 1399030848 /nfs/dbraw/zinc/03/08/48/1399030848.db2.gz PUFWNYIRQSBAGQ-XMSQKQJNSA-N 1 1 386.492 3.112 40 0 GGABMO CCOC(=O)[C@@]1(C[C@H]2CC(c3ccccc3C)=NO2)CCC[N@@H+](CC(C)=O)C1 ZINC000012157125 1399030856 /nfs/dbraw/zinc/03/08/56/1399030856.db2.gz PUFWNYIRQSBAGQ-XMSQKQJNSA-N 1 1 386.492 3.112 40 0 GGABMO CC(=O)NCCn1nc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c2cccnc21 ZINC000012219515 1399033895 /nfs/dbraw/zinc/03/38/95/1399033895.db2.gz PRVLXWDXLUWWFS-SFHVURJKSA-N 1 1 395.482 3.086 40 0 GGABMO COc1ccccc1[C@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC000012238523 1399034225 /nfs/dbraw/zinc/03/42/25/1399034225.db2.gz CCBLBOIKWDHIQR-YBVWCTEOSA-N 1 1 383.488 3.036 40 0 GGABMO C[C@H](CC[N@H+]1CC[C@@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1)c1ccccc1 ZINC000012365925 1399039942 /nfs/dbraw/zinc/03/99/42/1399039942.db2.gz IRUCFYGRANCSFQ-IEBWSBKVSA-N 1 1 382.508 3.002 40 0 GGABMO Cc1nnc2n1C[C@H](c1cccc(NC(=O)Cn3cc[nH+]c3C(C)C)c1)CC2 ZINC000019699106 1399335006 /nfs/dbraw/zinc/33/50/06/1399335006.db2.gz GILQYHJHLYKWRL-QGZVFWFLSA-N 1 1 378.480 3.275 40 0 GGABMO COc1ccccc1CNC(=O)c1cc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000019707775 1399335468 /nfs/dbraw/zinc/33/54/68/1399335468.db2.gz BRJHZZFHDHCEAO-LJQANCHMSA-N 1 1 390.487 3.338 40 0 GGABMO CC(C)Nc1n[nH]c2nc([C@@H]3CC[N@H+](CC(=O)Nc4ccc(F)cc4)C3)ccc12 ZINC000019704994 1399335480 /nfs/dbraw/zinc/33/54/80/1399335480.db2.gz IZZSYFNFUADFMG-CQSZACIVSA-N 1 1 396.470 3.345 40 0 GGABMO CC(C)Nc1n[nH]c2nc([C@@H]3CC[N@@H+](CC(=O)Nc4ccc(F)cc4)C3)ccc12 ZINC000019704994 1399335484 /nfs/dbraw/zinc/33/54/84/1399335484.db2.gz IZZSYFNFUADFMG-CQSZACIVSA-N 1 1 396.470 3.345 40 0 GGABMO O=C(NCCO)c1sc2ncccc2c1[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000019702284 1399335561 /nfs/dbraw/zinc/33/55/61/1399335561.db2.gz FQIJCYLLFOKMIL-INIZCTEOSA-N 1 1 387.549 3.388 40 0 GGABMO CC(=O)N1CCN(c2cc(C)nc([C@H]3CC[N@H+](Cc4ccccc4F)C3)c2)CC1 ZINC000019705385 1399335605 /nfs/dbraw/zinc/33/56/05/1399335605.db2.gz FPIXJEYOICAEQX-FQEVSTJZSA-N 1 1 396.510 3.187 40 0 GGABMO CC(=O)N1CCN(c2cc(C)nc([C@H]3CC[N@@H+](Cc4ccccc4F)C3)c2)CC1 ZINC000019705385 1399335607 /nfs/dbraw/zinc/33/56/07/1399335607.db2.gz FPIXJEYOICAEQX-FQEVSTJZSA-N 1 1 396.510 3.187 40 0 GGABMO O=C(NCCO)c1sc2ncccc2c1[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000019702282 1399335745 /nfs/dbraw/zinc/33/57/45/1399335745.db2.gz FQIJCYLLFOKMIL-MRXNPFEDSA-N 1 1 387.549 3.388 40 0 GGABMO CC(C)Nc1n[nH]c2nc([C@H]3CC[N@H+](CC(=O)Nc4ccc(F)cc4)C3)ccc12 ZINC000019704995 1399335764 /nfs/dbraw/zinc/33/57/64/1399335764.db2.gz IZZSYFNFUADFMG-AWEZNQCLSA-N 1 1 396.470 3.345 40 0 GGABMO CC(C)Nc1n[nH]c2nc([C@H]3CC[N@@H+](CC(=O)Nc4ccc(F)cc4)C3)ccc12 ZINC000019704995 1399335767 /nfs/dbraw/zinc/33/57/67/1399335767.db2.gz IZZSYFNFUADFMG-AWEZNQCLSA-N 1 1 396.470 3.345 40 0 GGABMO Cc1oc2cc(OC(=O)[C@@H](C)[NH3+])ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000019702830 1399335776 /nfs/dbraw/zinc/33/57/76/1399335776.db2.gz STJWJBNSISCLNW-GFCCVEGCSA-N 1 1 395.411 3.182 40 0 biogenic GGABMO Cn1cc(C(=O)N2CCCCC[C@@H]3[C@@H]2C[C@@H](Cc2ccccc2)[N@H+]3C)ccc1=O ZINC000019712922 1399336536 /nfs/dbraw/zinc/33/65/36/1399336536.db2.gz XTUQYAPKZGXSPL-VSKRKVRLSA-N 1 1 393.531 3.086 40 0 GGABMO Cc1nc(N)ncc1C(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)[N@@H+]2C ZINC000019712970 1399336630 /nfs/dbraw/zinc/33/66/30/1399336630.db2.gz KMULNTCXXMSVTK-NRSPTQNISA-N 1 1 393.535 3.067 40 0 GGABMO Cc1c(C(=O)N2[C@H](Cc3ccccc3)C[C@H]3[C@H]2CCCCC[N@H+]3C)cnn1C ZINC000019712892 1399336759 /nfs/dbraw/zinc/33/67/59/1399336759.db2.gz OOANKSPQCUXFOO-FCEUIQTBSA-N 1 1 380.536 3.429 40 0 GGABMO COc1ccccc1/C=C/CN1CCN(c2cc(C)nc([C@H]3CC[NH2+]C3)c2)CC1 ZINC000019739039 1399337076 /nfs/dbraw/zinc/33/70/76/1399337076.db2.gz CFDAEAXBXYZQMY-XYASWCNUSA-N 1 1 392.547 3.311 40 0 GGABMO CC(C)c1[nH+]ccn1CC(=O)N1[C@@H](c2ccccc2F)C[C@@H]2NC(=O)CCC[C@H]21 ZINC000019713816 1399337348 /nfs/dbraw/zinc/33/73/48/1399337348.db2.gz RRNIFPVLAUZLCW-IPMKNSEASA-N 1 1 398.482 3.157 40 0 GGABMO Cn1nc(C(=O)N2[C@H](c3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@H+]3C)ccc1=O ZINC000019713549 1399337369 /nfs/dbraw/zinc/33/73/69/1399337369.db2.gz LRKYITAFJDOORY-JTAQYXEDSA-N 1 1 394.519 3.001 40 0 GGABMO NC(=O)c1cc([C@@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759617 1399337814 /nfs/dbraw/zinc/33/78/14/1399337814.db2.gz LQSWZFCCNXFTBU-QHCPKHFHSA-N 1 1 398.466 3.455 40 0 GGABMO NC(=O)c1cc([C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759617 1399337822 /nfs/dbraw/zinc/33/78/22/1399337822.db2.gz LQSWZFCCNXFTBU-QHCPKHFHSA-N 1 1 398.466 3.455 40 0 GGABMO O=C(COCc1nc2ccccc2s1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000021973183 1399428453 /nfs/dbraw/zinc/42/84/53/1399428453.db2.gz LQGKXPRBABORRK-UHFFFAOYSA-N 1 1 395.528 3.200 40 0 GGABMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2ccccc2c1 ZINC000022374408 1399458579 /nfs/dbraw/zinc/45/85/79/1399458579.db2.gz YLAGSJIMRVSUBE-UHFFFAOYSA-N 1 1 396.512 3.151 40 0 GGABMO O=C(c1ccn(COc2cccc(Cl)c2Cl)n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000028233906 1400141458 /nfs/dbraw/zinc/14/14/58/1400141458.db2.gz ANBYBTINKBWHSZ-ZDUSSCGKSA-N 1 1 395.290 3.147 40 0 GGABMO O=C(c1ccn(COc2cccc(Cl)c2Cl)n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000028233902 1400141558 /nfs/dbraw/zinc/14/15/58/1400141558.db2.gz ANBYBTINKBWHSZ-CYBMUJFWSA-N 1 1 395.290 3.147 40 0 GGABMO Cc1cc(C)n(C2=[NH+]c3sc4c(c3[C@H](NC[C@@H]3CCCO3)N2)CCCC4)n1 ZINC000028286503 1400147195 /nfs/dbraw/zinc/14/71/95/1400147195.db2.gz SYQLRZZLESEJIG-KBXCAEBGSA-N 1 1 385.537 3.346 40 0 GGABMO O=C(NCCC[NH+]1CCOCC1)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000028305659 1400148493 /nfs/dbraw/zinc/14/84/93/1400148493.db2.gz TVNYHGGGTJTCCL-UHFFFAOYSA-N 1 1 394.471 3.464 40 0 GGABMO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000028725767 1400189646 /nfs/dbraw/zinc/18/96/46/1400189646.db2.gz YVNXJYHNFPDZSM-FQEVSTJZSA-N 1 1 384.476 3.166 40 0 GGABMO COc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000028725767 1400189647 /nfs/dbraw/zinc/18/96/47/1400189647.db2.gz YVNXJYHNFPDZSM-FQEVSTJZSA-N 1 1 384.476 3.166 40 0 GGABMO CC(=O)c1ccc(NC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000029232634 1400263674 /nfs/dbraw/zinc/26/36/74/1400263674.db2.gz DPGROXUOPITMCI-UHFFFAOYSA-N 1 1 394.519 3.219 40 0 GGABMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000057296943 1407582289 /nfs/dbraw/zinc/58/22/89/1407582289.db2.gz XWSYGJTWRYFJAJ-HUUCEWRRSA-N 1 1 389.446 3.376 40 0 GGABMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000057296936 1407582334 /nfs/dbraw/zinc/58/23/34/1407582334.db2.gz XWSYGJTWRYFJAJ-LSDHHAIUSA-N 1 1 389.446 3.376 40 0 GGABMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000057530607 1407643795 /nfs/dbraw/zinc/64/37/95/1407643795.db2.gz QUDVKDCFGZBIDD-MRXNPFEDSA-N 1 1 396.466 3.083 40 0 GGABMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000057530607 1407643802 /nfs/dbraw/zinc/64/38/02/1407643802.db2.gz QUDVKDCFGZBIDD-MRXNPFEDSA-N 1 1 396.466 3.083 40 0 GGABMO CN(C)CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000057801041 1407720659 /nfs/dbraw/zinc/72/06/59/1407720659.db2.gz JBWGICXZQLQUFU-UHFFFAOYSA-N 1 1 392.503 3.352 40 0 GGABMO CC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000058142280 1407788765 /nfs/dbraw/zinc/78/87/65/1407788765.db2.gz YZADTUJWVTWARV-UHFFFAOYSA-N 1 1 390.487 3.326 40 0 GGABMO COC(=O)CC[N@H+](CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C1CCCC1 ZINC000058161881 1407791607 /nfs/dbraw/zinc/79/16/07/1407791607.db2.gz HOCFCVZOLGVVDK-UHFFFAOYSA-N 1 1 399.274 3.355 40 0 GGABMO COC(=O)CC[N@@H+](CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C1CCCC1 ZINC000058161881 1407791611 /nfs/dbraw/zinc/79/16/11/1407791611.db2.gz HOCFCVZOLGVVDK-UHFFFAOYSA-N 1 1 399.274 3.355 40 0 GGABMO Cc1cc(C)n(CC[N@H+]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000077100060 1409893166 /nfs/dbraw/zinc/89/31/66/1409893166.db2.gz MRPXMBNPTXBNQG-UHFFFAOYSA-N 1 1 394.441 3.367 40 0 GGABMO Cn1cc(C[N@H+]2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@H]3C2)c2ccccc21 ZINC000077266652 1409895177 /nfs/dbraw/zinc/89/51/77/1409895177.db2.gz QXMKTETXHBEUQJ-HXUWFJFHSA-N 1 1 392.478 3.439 40 0 biogenic,in-vitro GGABMO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(OC)c(OC)c3)[nH]2)cc1OCC ZINC000095534579 1410315124 /nfs/dbraw/zinc/31/51/24/1410315124.db2.gz LOSQJMGFLGOYHS-LJQANCHMSA-N 1 1 398.463 3.334 40 0 GGABMO CCOc1cc(-c2nnc([C@@H]([NH3+])c3ccc(OC)c(OCC)c3)[nH]2)ccc1OC ZINC000095534487 1410315222 /nfs/dbraw/zinc/31/52/22/1410315222.db2.gz IDLCLWDOGSJNEA-IBGZPJMESA-N 1 1 398.463 3.334 40 0 GGABMO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(OC)c(OC)c3)[nH]2)cc1OCC ZINC000095533917 1410315702 /nfs/dbraw/zinc/31/57/02/1410315702.db2.gz SWDDJAMHHYEZRU-IBGZPJMESA-N 1 1 398.463 3.334 40 0 GGABMO O=C1C=CC(=C([NH2+]Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(O)cc2)C=C1 ZINC000136383733 1417312998 /nfs/dbraw/zinc/31/29/98/1417312998.db2.gz JOADKLYQCOMENH-UHFFFAOYSA-N 1 1 394.343 3.232 40 0 GGABMO COc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)C[C@@H]2c2cccs2)c(OC)c1 ZINC000227150416 1433369388 /nfs/dbraw/zinc/36/93/88/1433369388.db2.gz USEKERMIMZQSRT-ZFWWWQNUSA-N 1 1 375.494 3.232 40 0 GGABMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000245237220 1433455765 /nfs/dbraw/zinc/45/57/65/1433455765.db2.gz GNEYQTWPUCZTQH-VQTJNVASSA-N 1 1 396.487 3.481 40 0 GGABMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000245237220 1433455769 /nfs/dbraw/zinc/45/57/69/1433455769.db2.gz GNEYQTWPUCZTQH-VQTJNVASSA-N 1 1 396.487 3.481 40 0 GGABMO COc1ncc([C@]2(O)CCC[C@H]3C[N@@H+](Cc4ccc(C)c(C)c4)C[C@H]32)c(OC)n1 ZINC000247904679 1433755830 /nfs/dbraw/zinc/75/58/30/1433755830.db2.gz JKNLEMGEANHSQG-JXHRLWIKSA-N 1 1 397.519 3.230 40 0 GGABMO COCCc1ncc(C[N@H+]2C[C@@H]3CCC[C@](O)(c4ccc(C)cc4)[C@@H]3C2)cn1 ZINC000248121953 1433770816 /nfs/dbraw/zinc/77/08/16/1433770816.db2.gz XYJQAKXRIMJVLA-WPYKKVEZSA-N 1 1 381.520 3.094 40 0 GGABMO COc1ccccc1[C@]1(O)CCC[N@@H+](C[C@H](O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC000253593890 1433869860 /nfs/dbraw/zinc/86/98/60/1433869860.db2.gz CCBLBOIKWDHIQR-GRWTVWFQSA-N 1 1 383.488 3.036 40 0 GGABMO CSc1ncc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cn1 ZINC000019574109 210267973 /nfs/dbraw/zinc/26/79/73/210267973.db2.gz KXDZUVMQLGYIPN-UHFFFAOYSA-N 1 1 394.504 3.136 40 0 GGABMO Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCC[N@@H+]4C)ncc3C2)c1 ZINC000019569737 210266001 /nfs/dbraw/zinc/26/60/01/210266001.db2.gz VFGJUVDMAFNVAP-UWJYYQICSA-N 1 1 394.519 3.212 40 0 GGABMO Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCC[N@H+]4C)ncc3C2)c1 ZINC000019569737 210266005 /nfs/dbraw/zinc/26/60/05/210266005.db2.gz VFGJUVDMAFNVAP-UWJYYQICSA-N 1 1 394.519 3.212 40 0 GGABMO COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CCO)cc1OCc1ccccc1 ZINC000019561721 210264512 /nfs/dbraw/zinc/26/45/12/210264512.db2.gz KKZZTNFUZNNCGT-VXKWHMMOSA-N 1 1 396.531 3.305 40 0 GGABMO COc1cc2c(cc1C[N@H+]1C[C@@H](c3cccnc3)[C@]3(C1)CCCC(=O)N3)CCC2 ZINC000019550612 210262144 /nfs/dbraw/zinc/26/21/44/210262144.db2.gz ZJZPXGUPPXYSES-XUZZJYLKSA-N 1 1 391.515 3.217 40 0 GGABMO Cc1nc2sccn2c1C[N@H+]1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019555097 210261660 /nfs/dbraw/zinc/26/16/60/210261660.db2.gz UZWNBNSCICEQLZ-HRAATJIYSA-N 1 1 395.532 3.128 40 0 GGABMO COc1ccc(CC[C@H]2CCCC[N@H+]2Cc2cnc(N3CCOCC3)nc2)cc1 ZINC000019554635 210260486 /nfs/dbraw/zinc/26/04/86/210260486.db2.gz KVMIBADQIBNSLH-OAQYLSRUSA-N 1 1 396.535 3.309 40 0 GGABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)cc1 ZINC000019533249 210259711 /nfs/dbraw/zinc/25/97/11/210259711.db2.gz CEDZQJQYQDUPBN-IBGZPJMESA-N 1 1 394.519 3.160 40 0 GGABMO COc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2Cc2ccccc2)cc2c1OCO2 ZINC000019549974 210258592 /nfs/dbraw/zinc/25/85/92/210258592.db2.gz SMCQXNLJHKTRNI-VQTJNVASSA-N 1 1 380.488 3.315 40 0 GGABMO CCOC(=O)c1sc2nc3n(c(=O)c2c1C)CC[N@@H+](Cc1ccccc1)CC3 ZINC000019530685 210258544 /nfs/dbraw/zinc/25/85/44/210258544.db2.gz NQBOFJXNERILRX-UHFFFAOYSA-N 1 1 397.500 3.001 40 0 GGABMO CCOC(=O)c1sc2nc3n(c(=O)c2c1C)CC[N@H+](Cc1ccccc1)CC3 ZINC000019530685 210258549 /nfs/dbraw/zinc/25/85/49/210258549.db2.gz NQBOFJXNERILRX-UHFFFAOYSA-N 1 1 397.500 3.001 40 0 GGABMO CCCc1cc(C(=O)N2CCC[C@@H]3[C@H]2[C@@H](c2ccc(OC)cc2)C[N@H+]3C)no1 ZINC000019525347 210256745 /nfs/dbraw/zinc/25/67/45/210256745.db2.gz CGZUOLXDJOHKBK-HMXCVIKNSA-N 1 1 383.492 3.338 40 0 GGABMO CCc1[nH+]ccn1CCC(=O)N1CCc2onc(Nc3ccccc3F)c2C1 ZINC000019523642 210256770 /nfs/dbraw/zinc/25/67/70/210256770.db2.gz RWHYDGJTLFZRBX-UHFFFAOYSA-N 1 1 383.427 3.291 40 0 GGABMO CCc1c(C)nc([C@H]2CCC[N@@H+](Cc3cc(COC)ccc3OC)C2)[nH]c1=O ZINC000019521541 210255072 /nfs/dbraw/zinc/25/50/72/210255072.db2.gz VDQXOPWFZSPBTF-KRWDZBQOSA-N 1 1 385.508 3.175 40 0 GGABMO CCc1c(C)nc([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4=O)cc3)C2)[nH]c1=O ZINC000019521551 210254736 /nfs/dbraw/zinc/25/47/36/210254736.db2.gz GMJPHOBLISGYQI-SFHVURJKSA-N 1 1 394.519 3.147 40 0 GGABMO CCc1c(C)nc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4=O)cc3)C2)[nH]c1=O ZINC000019521550 210254376 /nfs/dbraw/zinc/25/43/76/210254376.db2.gz GMJPHOBLISGYQI-GOSISDBHSA-N 1 1 394.519 3.147 40 0 GGABMO CC1(C)Cc2cc(C[N@H+]3CC[C@H](c4nnc(-c5cnccn5)o4)C3)ccc2O1 ZINC000019461733 210253080 /nfs/dbraw/zinc/25/30/80/210253080.db2.gz ZQJFGDQLHIHKAK-HNNXBMFYSA-N 1 1 377.448 3.230 40 0 GGABMO CC1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)CC1 ZINC000019496717 210252622 /nfs/dbraw/zinc/25/26/22/210252622.db2.gz FQJUFWXVVHODOX-MRXNPFEDSA-N 1 1 391.899 3.143 40 0 GGABMO CC1CCN(C(=O)C[N@H+]2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)CC1 ZINC000019496717 210252624 /nfs/dbraw/zinc/25/26/24/210252624.db2.gz FQJUFWXVVHODOX-MRXNPFEDSA-N 1 1 391.899 3.143 40 0 GGABMO CC(=O)N1CCC(c2ncc3c(n2)CC[N@H+](C[C@H](C)c2ccccc2)C3)CC1 ZINC000019456397 210251512 /nfs/dbraw/zinc/25/15/12/210251512.db2.gz QECOHRCNTQVKDB-KRWDZBQOSA-N 1 1 378.520 3.364 40 0 GGABMO COc1ccc(CC[C@@H](C)[N@@H+]2C[C@@H](c3cn(C)c4cnccc34)[C@H](N)C2)cc1 ZINC000019455770 210251526 /nfs/dbraw/zinc/25/15/26/210251526.db2.gz QQEKXFZDMYYJRD-URZJWIJPSA-N 1 1 378.520 3.330 40 0 GGABMO COc1ccc(CC[C@@H](C)N2C[C@@H](c3cn(C)c4cnccc34)[C@H]([NH3+])C2)cc1 ZINC000019455770 210251530 /nfs/dbraw/zinc/25/15/30/210251530.db2.gz QQEKXFZDMYYJRD-URZJWIJPSA-N 1 1 378.520 3.330 40 0 GGABMO C[C@@H](CC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2C)n1cccn1 ZINC000019455523 210250039 /nfs/dbraw/zinc/25/00/39/210250039.db2.gz OLOHBBUKODAORQ-INIZCTEOSA-N 1 1 380.496 3.346 40 0 GGABMO COc1ccc(CC[C@H](C)[N@@H+]2C[C@@H](c3cn(C)c4cnccc34)[C@H](N)C2)cc1 ZINC000019455772 210250096 /nfs/dbraw/zinc/25/00/96/210250096.db2.gz QQEKXFZDMYYJRD-WQTXXOFMSA-N 1 1 378.520 3.330 40 0 GGABMO COc1ccc(CC[C@H](C)N2C[C@@H](c3cn(C)c4cnccc34)[C@H]([NH3+])C2)cc1 ZINC000019455772 210250099 /nfs/dbraw/zinc/25/00/99/210250099.db2.gz QQEKXFZDMYYJRD-WQTXXOFMSA-N 1 1 378.520 3.330 40 0 GGABMO CC(C)[N@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]c2=O)C1 ZINC000019448367 210249252 /nfs/dbraw/zinc/24/92/52/210249252.db2.gz GCSCNXBZUGROOY-LJQANCHMSA-N 1 1 398.482 3.455 40 0 GGABMO CC(C)[N@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccccc3F)[nH]c2=O)C1 ZINC000019448371 210248810 /nfs/dbraw/zinc/24/88/10/210248810.db2.gz IQWPWOUYXYDDNX-LJQANCHMSA-N 1 1 398.482 3.455 40 0 GGABMO O[C@@]1(c2ccccn2)CC[C@H]2C[N@@H+](Cc3cccc(Oc4ncccn4)c3)C[C@H]21 ZINC000019402294 210248208 /nfs/dbraw/zinc/24/82/08/210248208.db2.gz UEIHGHZZTHZOCU-NOXFTYBFSA-N 1 1 388.471 3.394 40 0 GGABMO CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccc3F)[nH]c2=O)C1 ZINC000019448369 210247751 /nfs/dbraw/zinc/24/77/51/210247751.db2.gz IQWPWOUYXYDDNX-IBGZPJMESA-N 1 1 398.482 3.455 40 0 GGABMO CC(C)[N@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccccc3)[nH]c2=O)C1 ZINC000019448351 210247478 /nfs/dbraw/zinc/24/74/78/210247478.db2.gz SUXAQBFTXASRER-HXUWFJFHSA-N 1 1 394.519 3.245 40 0 GGABMO O=c1[nH]cc(-c2ccccc2)cc1CNc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019373986 210246563 /nfs/dbraw/zinc/24/65/63/210246563.db2.gz UCYYGZPSIVFFNE-UHFFFAOYSA-N 1 1 375.472 3.486 40 0 GGABMO c1ccc([C@@H]2c3ccccc3CC[N@H+]2Cc2ccnc(N3CCOCC3)n2)cc1 ZINC000019370046 210246011 /nfs/dbraw/zinc/24/60/11/210246011.db2.gz CEXWUCFIYNSXAM-HSZRJFAPSA-N 1 1 386.499 3.461 40 0 GGABMO c1ccc([C@@H]2c3ccccc3CC[N@@H+]2Cc2ccnc(N3CCOCC3)n2)cc1 ZINC000019370046 210246014 /nfs/dbraw/zinc/24/60/14/210246014.db2.gz CEXWUCFIYNSXAM-HSZRJFAPSA-N 1 1 386.499 3.461 40 0 GGABMO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000019373960 210245920 /nfs/dbraw/zinc/24/59/20/210245920.db2.gz VXBZAXZXZNJMEC-UHFFFAOYSA-N 1 1 384.443 3.193 40 0 GGABMO CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCC[NH+]1CCN(Cc3ccccc3)CC1)C2=O ZINC000019367154 210244468 /nfs/dbraw/zinc/24/44/68/210244468.db2.gz WXTCIMBFHFATLS-YKSBVNFPSA-N 1 1 397.563 3.006 40 0 GGABMO c1cncc(C[N@H+](CCCN2CCOCC2)Cc2cccc3cccnc32)c1 ZINC000019347285 210244373 /nfs/dbraw/zinc/24/43/73/210244373.db2.gz HETAZYBJDJDIHD-UHFFFAOYSA-N 1 1 376.504 3.354 40 0 GGABMO Fc1ccc(Oc2nc(N3CCCC3)nc3c2C[N@@H+](C[C@@H]2CCOC2)CC3)cc1 ZINC000019336047 210241796 /nfs/dbraw/zinc/24/17/96/210241796.db2.gz PNMIREYQFOMUKG-INIZCTEOSA-N 1 1 398.482 3.403 40 0 GGABMO O=c1cc(-c2ccncc2)nc([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)[nH]1 ZINC000019292922 210239049 /nfs/dbraw/zinc/23/90/49/210239049.db2.gz PBXVERVUCWMLOF-MRXNPFEDSA-N 1 1 382.414 3.490 40 0 GGABMO Fc1cccc(-n2cccc2C[N@H+](CCN2CCOCC2)Cc2cccnc2)c1 ZINC000019294368 210239098 /nfs/dbraw/zinc/23/90/98/210239098.db2.gz KIFDKAIWTZXBGG-UHFFFAOYSA-N 1 1 394.494 3.346 40 0 GGABMO Fc1cccc(-n2cccc2C[N@@H+](CCN2CCOCC2)Cc2cccnc2)c1 ZINC000019294368 210239102 /nfs/dbraw/zinc/23/91/02/210239102.db2.gz KIFDKAIWTZXBGG-UHFFFAOYSA-N 1 1 394.494 3.346 40 0 GGABMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccnn3C(F)F)ccc21 ZINC000019289833 210238467 /nfs/dbraw/zinc/23/84/67/210238467.db2.gz YWTMOUDAIMEXOT-UHFFFAOYSA-N 1 1 388.422 3.403 40 0 GGABMO COc1cc2c(cc1C[N@@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1nccn1C)CCC2 ZINC000019291368 210237955 /nfs/dbraw/zinc/23/79/55/210237955.db2.gz RWEGRPYBZZHFNH-DETIRCLXSA-N 1 1 381.520 3.037 40 0 GGABMO COc1cccc(Nc2noc3c2CN(C(=O)[C@H](C)Cn2cc[nH+]c2C)CC3)c1 ZINC000019287714 210237298 /nfs/dbraw/zinc/23/72/98/210237298.db2.gz POZHWAYTWUFMMT-CQSZACIVSA-N 1 1 395.463 3.153 40 0 GGABMO COc1cccc2ccc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3nccn3C)nc21 ZINC000019291394 210237330 /nfs/dbraw/zinc/23/73/30/210237330.db2.gz JRJSKTDKSCRSHS-NHJWOMDBSA-N 1 1 392.503 3.097 40 0 GGABMO Cc1ccccc1[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1c1csnn1 ZINC000019237420 210236004 /nfs/dbraw/zinc/23/60/04/210236004.db2.gz FIWZNUWOBFCUNB-RBUKOAKNSA-N 1 1 384.549 3.288 40 0 GGABMO Cc1nc(C)n(CCC(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)n1 ZINC000019286004 210234640 /nfs/dbraw/zinc/23/46/40/210234640.db2.gz TWPCSNKCZINESQ-XJUOHMSHSA-N 1 1 395.551 3.154 40 0 GGABMO Cc1nc2ccc(Cl)cn2c1C(=O)N1CCC[N@H+](Cc2cccc(C)n2)CC1 ZINC000019236273 210233848 /nfs/dbraw/zinc/23/38/48/210233848.db2.gz NPRZEPQMWCIOLA-UHFFFAOYSA-N 1 1 397.910 3.348 40 0 GGABMO Cc1nc2ccc(Cl)cn2c1C(=O)N1CCC[N@@H+](Cc2cccc(C)n2)CC1 ZINC000019236273 210233852 /nfs/dbraw/zinc/23/38/52/210233852.db2.gz NPRZEPQMWCIOLA-UHFFFAOYSA-N 1 1 397.910 3.348 40 0 GGABMO Cc1cccc(OCCC[NH+]2CCN(C(=O)c3ccnn3C(F)F)CC2)c1C ZINC000019235726 210233862 /nfs/dbraw/zinc/23/38/62/210233862.db2.gz SNCXKVJHPFMQHD-UHFFFAOYSA-N 1 1 392.450 3.122 40 0 GGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+]3CCOc3c(C)cccc3C)ncc2C1 ZINC000019236082 210233592 /nfs/dbraw/zinc/23/35/92/210233592.db2.gz OCXARIMSBJXFQO-OAQYLSRUSA-N 1 1 394.519 3.214 40 0 GGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@H+]3CCOc3c(C)cccc3C)ncc2C1 ZINC000019236082 210233598 /nfs/dbraw/zinc/23/35/98/210233598.db2.gz OCXARIMSBJXFQO-OAQYLSRUSA-N 1 1 394.519 3.214 40 0 GGABMO Cc1cccc2[nH]c(C(=O)N3CCC[C@H](c4ncc5c(n4)CC[N@H+](C)C5)C3)cc21 ZINC000019236669 210232850 /nfs/dbraw/zinc/23/28/50/210232850.db2.gz FOTGTMJAHSQHFL-INIZCTEOSA-N 1 1 389.503 3.274 40 0 GGABMO Cc1[nH]c2cc(C)ccc2c1C[N@@H+]1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 ZINC000019219648 210231760 /nfs/dbraw/zinc/23/17/60/210231760.db2.gz MZJFPHXXKICXQB-UHFFFAOYSA-N 1 1 385.471 3.488 40 0 GGABMO Cc1[nH]c2cc(C)ccc2c1C[N@H+]1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 ZINC000019219648 210231763 /nfs/dbraw/zinc/23/17/63/210231763.db2.gz MZJFPHXXKICXQB-UHFFFAOYSA-N 1 1 385.471 3.488 40 0 GGABMO Cc1ccc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C5CCOCC5)cc4n3)C2)o1 ZINC000019216618 210231021 /nfs/dbraw/zinc/23/10/21/210231021.db2.gz FGVAPFUMGZOTRM-KRWDZBQOSA-N 1 1 395.507 3.487 40 0 GGABMO Cc1ccc([C@@H]2C[N@@H+](CC(=O)N3CCCC[C@@H]3C)C[C@H]2c2csnn2)cc1 ZINC000019211984 210230609 /nfs/dbraw/zinc/23/06/09/210230609.db2.gz IKDAAAQZAONJAF-YTQUADARSA-N 1 1 384.549 3.431 40 0 GGABMO COc1ccc(F)c(C[N@H+]2CCC[C@H](c3n[nH]c(=O)cc3-c3cc(C)no3)C2)c1 ZINC000019121174 210227961 /nfs/dbraw/zinc/22/79/61/210227961.db2.gz FFMYRZWCSTXJPU-AWEZNQCLSA-N 1 1 398.438 3.261 40 0 GGABMO COc1cc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1 ZINC000019129204 210228044 /nfs/dbraw/zinc/22/80/44/210228044.db2.gz OMSCNFOEFXNQSU-MRXNPFEDSA-N 1 1 381.480 3.017 40 0 GGABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4cc5c(cc4Cl)OCO5)C3)cc(N)n2n1 ZINC000019129219 210227626 /nfs/dbraw/zinc/22/76/26/210227626.db2.gz VCSGCMZJYIFXQY-CYBMUJFWSA-N 1 1 399.882 3.382 40 0 GGABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)C(C)(C)c4ccc(F)cc4)C3)ncc2C1 ZINC000019085040 210225495 /nfs/dbraw/zinc/22/54/95/210225495.db2.gz ZQLHDULFLLYKLS-INIZCTEOSA-N 1 1 396.510 3.287 40 0 GGABMO CC(=O)NCCn1nc([C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c2cccnc21 ZINC000019021837 210224331 /nfs/dbraw/zinc/22/43/31/210224331.db2.gz HOUZKALNTDCHAP-QGZVFWFLSA-N 1 1 397.910 3.210 40 0 GGABMO CC(=O)N1Cc2ccccc2OC2(CCC([N@@H+](C)CC3=CCCOC3)CC2)C1 ZINC000019019941 210223403 /nfs/dbraw/zinc/22/34/03/210223403.db2.gz NXDARSDUSWFNFU-UHFFFAOYSA-N 1 1 384.520 3.387 40 0 GGABMO O=C(C1CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014796 210222082 /nfs/dbraw/zinc/22/20/82/210222082.db2.gz PVEWIGLFAIFTFU-FQEVSTJZSA-N 1 1 398.551 3.172 40 0 GGABMO O=C(C1CC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019014860 210222050 /nfs/dbraw/zinc/22/20/50/210222050.db2.gz HUPWNLLGTWCWLX-IBGZPJMESA-N 1 1 384.524 3.337 40 0 GGABMO O=C(C1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019014889 210221927 /nfs/dbraw/zinc/22/19/27/210221927.db2.gz MSRJDYKFEMUDHX-KRWDZBQOSA-N 1 1 398.551 3.379 40 0 GGABMO CC(=O)N1CCC(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CC[N@@H+]3C)CC1 ZINC000019016757 210221465 /nfs/dbraw/zinc/22/14/65/210221465.db2.gz NDUKXHRLWFHOCP-DNVJHFABSA-N 1 1 397.563 3.114 40 0 GGABMO COc1ccc(OCCCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000018217486 210217845 /nfs/dbraw/zinc/21/78/45/210217845.db2.gz YIKXQKKEEWFJAV-UHFFFAOYSA-N 1 1 398.503 3.003 40 0 GGABMO Cc1nn(C)c2nc(-c3ccc(C)cc3)cc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)c12 ZINC000036613353 210154251 /nfs/dbraw/zinc/15/42/51/210154251.db2.gz NBGXYZMCKTYZLH-SFHVURJKSA-N 1 1 389.503 3.172 40 0 GGABMO COc1cccc([C@H](CNS(=O)(=O)c2ccc3ccccc3c2)[NH+](C)C)c1 ZINC000010091614 209321714 /nfs/dbraw/zinc/32/17/14/209321714.db2.gz LETIEVKBYZHJCF-NRFANRHFSA-N 1 1 384.501 3.430 40 0 GGABMO COc1cccc([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)[NH+](C)C)c1 ZINC000010091619 209321818 /nfs/dbraw/zinc/32/18/18/209321818.db2.gz LETIEVKBYZHJCF-OAQYLSRUSA-N 1 1 384.501 3.430 40 0 GGABMO Cc1cc2oc(=O)cc(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2cc1C ZINC000036632744 209245422 /nfs/dbraw/zinc/24/54/22/209245422.db2.gz HIMWYTDPPNFTCN-FUHWJXTLSA-N 1 1 376.456 3.191 40 0 GGABMO CC(=O)Nc1cc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccc1C ZINC000062291659 212065525 /nfs/dbraw/zinc/06/55/25/212065525.db2.gz GDPMMJWAKCDRND-KRWDZBQOSA-N 1 1 395.503 3.104 40 0 GGABMO CC(=O)Nc1cc(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccc1C ZINC000062291659 212065529 /nfs/dbraw/zinc/06/55/29/212065529.db2.gz GDPMMJWAKCDRND-KRWDZBQOSA-N 1 1 395.503 3.104 40 0 GGABMO Fc1ccccc1C[N@H+]1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306145163 212057867 /nfs/dbraw/zinc/05/78/67/212057867.db2.gz ZZVGRIGYJVIAJR-GOSISDBHSA-N 1 1 395.482 3.085 40 0 GGABMO CC(C)N1C[C@@]2(CC[N@H+](Cc3cccs3)C2)Oc2ccccc2S1(=O)=O ZINC000306143781 212055847 /nfs/dbraw/zinc/05/58/47/212055847.db2.gz YLZNSZZEPGYPPT-IBGZPJMESA-N 1 1 392.546 3.184 40 0 GGABMO CC(C)N1C[C@@]2(CC[N@@H+](Cc3cccs3)C2)Oc2ccccc2S1(=O)=O ZINC000306143781 212055851 /nfs/dbraw/zinc/05/58/51/212055851.db2.gz YLZNSZZEPGYPPT-IBGZPJMESA-N 1 1 392.546 3.184 40 0 GGABMO Cc1ccc(C[N@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)s1 ZINC000306141611 212055610 /nfs/dbraw/zinc/05/56/10/212055610.db2.gz WCBGMPPXOHHASX-AZUAARDMSA-N 1 1 399.541 3.212 40 0 GGABMO Cc1ccc(C[N@@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)s1 ZINC000306141611 212055613 /nfs/dbraw/zinc/05/56/13/212055613.db2.gz WCBGMPPXOHHASX-AZUAARDMSA-N 1 1 399.541 3.212 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@]3(C2)COCC[C@@H]3NC(=O)Cc2ccccc2)cc1 ZINC000306144701 212055340 /nfs/dbraw/zinc/05/53/40/212055340.db2.gz ZMNLKWUIJXDTHN-UPVQGACJSA-N 1 1 394.515 3.035 40 0 GGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306144367 212055160 /nfs/dbraw/zinc/05/51/60/212055160.db2.gz ZDLYHZOKBWCRLB-KNQAVFIVSA-N 1 1 382.508 3.285 40 0 GGABMO CN1CC[N@@H+](Cc2cccs2)C[C@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306142635 212055245 /nfs/dbraw/zinc/05/52/45/212055245.db2.gz XFDUMRYNWSCDMD-IBGZPJMESA-N 1 1 381.549 3.485 40 0 GGABMO Cc1ccc(C[N@@H+]2C[C@@H](c3ccnn3C)[C@@]3(C2)CCCN(CC2CC2)C3=O)s1 ZINC000306141366 212055038 /nfs/dbraw/zinc/05/50/38/212055038.db2.gz VTCOIRAFQKYPJU-UGKGYDQZSA-N 1 1 398.576 3.408 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]32)cs1 ZINC000306142846 212054326 /nfs/dbraw/zinc/05/43/26/212054326.db2.gz XMJMAUBFBAHXFZ-MSOLQXFVSA-N 1 1 384.530 3.396 40 0 GGABMO Cc1ccc(C[N@@H+]2C[C@H](c3ccnn3C)[C@@]3(C2)CCCN(CC2CC2)C3=O)s1 ZINC000306141364 212054356 /nfs/dbraw/zinc/05/43/56/212054356.db2.gz VTCOIRAFQKYPJU-KNQAVFIVSA-N 1 1 398.576 3.408 40 0 GGABMO CC(C)n1cnc([C@H]2C[N@H+](C3CCC3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306138781 212053732 /nfs/dbraw/zinc/05/37/32/212053732.db2.gz SHLBBRFBZFMWTL-NFBKMPQASA-N 1 1 393.535 3.230 40 0 GGABMO Cc1cccc(C[N@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@H]3C2)c1 ZINC000306140126 212053369 /nfs/dbraw/zinc/05/33/69/212053369.db2.gz UKQPJGOGXJKFSU-UNMCSNQZSA-N 1 1 393.512 3.151 40 0 GGABMO Cc1cccc(C[N@@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@H]3C2)c1 ZINC000306140126 212053372 /nfs/dbraw/zinc/05/33/72/212053372.db2.gz UKQPJGOGXJKFSU-UNMCSNQZSA-N 1 1 393.512 3.151 40 0 GGABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306139557 212053271 /nfs/dbraw/zinc/05/32/71/212053271.db2.gz TUBKGIRNGRTHPR-HXUWFJFHSA-N 1 1 391.519 3.254 40 0 GGABMO COCC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1csc3ccccc13)CCO2 ZINC000306138864 212052214 /nfs/dbraw/zinc/05/22/14/212052214.db2.gz SJPBPYSGFMLMAZ-FPOVZHCZSA-N 1 1 388.533 3.178 40 0 GGABMO O=S1(=O)N(CC2CC2)c2ccccc2C12CC[NH+](Cc1ccccn1)CC2 ZINC000306135248 212051801 /nfs/dbraw/zinc/05/18/01/212051801.db2.gz OLPMANRXCXYZHE-UHFFFAOYSA-N 1 1 383.517 3.133 40 0 GGABMO CN1CCN(Cc2ccncc2)C[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306134307 212051299 /nfs/dbraw/zinc/05/12/99/212051299.db2.gz NIQVBDJEHVTRDB-QFIPXVFZSA-N 1 1 384.487 3.280 40 0 GGABMO CN1CC[N@H+](Cc2ccncc2)C[C@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306134307 212051301 /nfs/dbraw/zinc/05/13/01/212051301.db2.gz NIQVBDJEHVTRDB-QFIPXVFZSA-N 1 1 384.487 3.280 40 0 GGABMO CN1CC[N@@H+](Cc2ccncc2)C[C@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306134307 212051303 /nfs/dbraw/zinc/05/13/03/212051303.db2.gz NIQVBDJEHVTRDB-QFIPXVFZSA-N 1 1 384.487 3.280 40 0 GGABMO Cc1ncsc1C[N@@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccc1 ZINC000306136461 212051486 /nfs/dbraw/zinc/05/14/86/212051486.db2.gz PUDMIVRTZOFHPX-RBUKOAKNSA-N 1 1 378.501 3.335 40 0 GGABMO CCn1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cn1 ZINC000306137173 212050982 /nfs/dbraw/zinc/05/09/82/212050982.db2.gz QNMGGIKEIUWDHX-HXUWFJFHSA-N 1 1 387.491 3.387 40 0 GGABMO Cc1ccc(C[N@H+]2C[C@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)s1 ZINC000306136725 212050997 /nfs/dbraw/zinc/05/09/97/212050997.db2.gz QBBAXJIIJFLMOK-PMACEKPBSA-N 1 1 378.501 3.335 40 0 GGABMO Cc1ccsc1C[N@H+]1C[C@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306136993 212051130 /nfs/dbraw/zinc/05/11/30/212051130.db2.gz QIMPDWXJQQAQHH-PXNSSMCTSA-N 1 1 399.541 3.212 40 0 GGABMO Cc1ccsc1C[N@@H+]1C[C@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306136993 212051134 /nfs/dbraw/zinc/05/11/34/212051134.db2.gz QIMPDWXJQQAQHH-PXNSSMCTSA-N 1 1 399.541 3.212 40 0 GGABMO COc1ncccc1C[N@H+]1CC[C@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 ZINC000306136543 212050618 /nfs/dbraw/zinc/05/06/18/212050618.db2.gz PWGYPTCZCMFOTB-QFIPXVFZSA-N 1 1 394.450 3.268 40 0 GGABMO Cn1cc(C[N@@H+]2Cc3ccccc3[C@@H](c3nccn3Cc3cccnc3)C2)cn1 ZINC000306135398 212050683 /nfs/dbraw/zinc/05/06/83/212050683.db2.gz OPUGHNIIYMOGIL-QFIPXVFZSA-N 1 1 384.487 3.208 40 0 GGABMO C[N@H+]1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1cc3ccccc3[nH]1)C2 ZINC000306131933 212050074 /nfs/dbraw/zinc/05/00/74/212050074.db2.gz KTIMYCCIIMKXOQ-QGZVFWFLSA-N 1 1 390.487 3.178 40 0 GGABMO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2cccnc2)s1 ZINC000306129248 212046821 /nfs/dbraw/zinc/04/68/21/212046821.db2.gz HYJCLHZMRQJLEY-VQTJNVASSA-N 1 1 378.501 3.335 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2N1Cc1ccccn1 ZINC000306128834 212046857 /nfs/dbraw/zinc/04/68/57/212046857.db2.gz HMAALNHFXSDYKO-RTWAWAEBSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2N1Cc1ccccn1 ZINC000306128834 212046861 /nfs/dbraw/zinc/04/68/61/212046861.db2.gz HMAALNHFXSDYKO-RTWAWAEBSA-N 1 1 376.435 3.104 40 0 GGABMO Cc1cc(C)cc(C[N@H+]2CC[C@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)c1 ZINC000306127989 212046758 /nfs/dbraw/zinc/04/67/58/212046758.db2.gz GNDVGNZQFGBPAV-DEOSSOPVSA-N 1 1 386.499 3.470 40 0 GGABMO Cc1cccc(C[N@H+]2C[C@H]3CCn4c(C(=O)NC5CCCCC5)nnc4[C@@H]3C2)c1 ZINC000306133176 212049788 /nfs/dbraw/zinc/04/97/88/212049788.db2.gz MDZNEVSFQCWXIH-UYAOXDASSA-N 1 1 393.535 3.268 40 0 GGABMO CC(C)N1CCC[C@@]2(C[N@@H+](Cc3nccs3)C[C@@H]2c2nccs2)C1=O ZINC000306132069 212049490 /nfs/dbraw/zinc/04/94/90/212049490.db2.gz KXFFESTZQXEGAG-KDOFPFPSSA-N 1 1 376.551 3.216 40 0 GGABMO Cc1ccsc1CN1CCN(C2=NO[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000306130939 212049067 /nfs/dbraw/zinc/04/90/67/212049067.db2.gz JSXAJCKQUBLNDB-UXHICEINSA-N 1 1 396.560 3.018 40 0 GGABMO Cc1ccsc1C[N@H+]1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306132850 212048840 /nfs/dbraw/zinc/04/88/40/212048840.db2.gz LUILVMPGBNDCTL-KRWDZBQOSA-N 1 1 397.548 3.315 40 0 GGABMO Cc1ccsc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306128702 212047991 /nfs/dbraw/zinc/04/79/91/212047991.db2.gz HIOHUJCSADKRCD-JKSUJKDBSA-N 1 1 393.516 3.205 40 0 GGABMO O=C1NC2(CC[NH+](Cc3ccccn3)CC2)c2nc(-c3ccccc3)sc21 ZINC000306128450 212047779 /nfs/dbraw/zinc/04/77/79/212047779.db2.gz HAMXBDKLJSPXMG-UHFFFAOYSA-N 1 1 376.485 3.440 40 0 GGABMO Cc1ccc(C[N@H+]2CC[C@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)s1 ZINC000306129958 212047596 /nfs/dbraw/zinc/04/75/96/212047596.db2.gz ISMDYVLTDUXQCX-NRFANRHFSA-N 1 1 378.501 3.223 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@H]32)cs1 ZINC000306129115 212047400 /nfs/dbraw/zinc/04/74/00/212047400.db2.gz HUZGDQUACBVWCT-VQTJNVASSA-N 1 1 396.491 3.474 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccc(F)cc4)C[C@H]32)cs1 ZINC000306129115 212047403 /nfs/dbraw/zinc/04/74/03/212047403.db2.gz HUZGDQUACBVWCT-VQTJNVASSA-N 1 1 396.491 3.474 40 0 GGABMO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4cccnc4)C2)OC3)c1 ZINC000306126062 212044067 /nfs/dbraw/zinc/04/40/67/212044067.db2.gz DLAAIMIWTPDRNH-QFIPXVFZSA-N 1 1 376.460 3.129 40 0 GGABMO c1csc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306125891 212043937 /nfs/dbraw/zinc/04/39/37/212043937.db2.gz DEUJVYWCXGFAOH-INIZCTEOSA-N 1 1 383.521 3.007 40 0 GGABMO Cc1nc(COCC[C@H]2CO[C@H]3C[N@@H+](Cc4c(C)noc4C)C[C@@H]23)cs1 ZINC000306127856 212046464 /nfs/dbraw/zinc/04/64/64/212046464.db2.gz GJDKQCJZVVZKCC-SNRMKQJTSA-N 1 1 377.510 3.110 40 0 GGABMO CN1CCN(Cc2nccs2)C[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306125628 212044987 /nfs/dbraw/zinc/04/49/87/212044987.db2.gz CWLBCFBGRJSXFV-IBGZPJMESA-N 1 1 390.516 3.342 40 0 GGABMO CN1CCN(Cc2nccs2)C[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306125629 212044521 /nfs/dbraw/zinc/04/45/21/212044521.db2.gz CWLBCFBGRJSXFV-LJQANCHMSA-N 1 1 390.516 3.342 40 0 GGABMO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000257342015 212028313 /nfs/dbraw/zinc/02/83/13/212028313.db2.gz ZMSJMFWSDZZXEH-LJQANCHMSA-N 1 1 395.551 3.481 40 0 GGABMO C[N@H+]1CC[C@@H](CNC(=O)C2(Cc3ccc(-c4ccncc4)cc3)CCOCC2)C1 ZINC000257342909 212027592 /nfs/dbraw/zinc/02/75/92/212027592.db2.gz ZQOYSTBUOWPANE-FQEVSTJZSA-N 1 1 393.531 3.156 40 0 GGABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@H+](CC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000257316917 212024094 /nfs/dbraw/zinc/02/40/94/212024094.db2.gz VHOFAMUOKHMPAO-YPAWHYETSA-N 1 1 395.478 3.101 40 0 GGABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@@H+](CC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000257316917 212024096 /nfs/dbraw/zinc/02/40/96/212024096.db2.gz VHOFAMUOKHMPAO-YPAWHYETSA-N 1 1 395.478 3.101 40 0 GGABMO CCn1c(C)nc2cc(C(=O)N(C)[C@@H]3CCC[C@@H](n4cc[nH+]c4C)[C@@H]3O)ccc21 ZINC000257328954 212026674 /nfs/dbraw/zinc/02/66/74/212026674.db2.gz XHTKTMXOLDBMHX-NJDAHSKKSA-N 1 1 395.507 3.096 40 0 GGABMO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@@H](OC)C2)cc1 ZINC000257308374 212022967 /nfs/dbraw/zinc/02/29/67/212022967.db2.gz TWMVYCLDQYGQPN-PZJWPPBQSA-N 1 1 376.497 3.074 40 0 GGABMO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@@H](OC)C2)cc1 ZINC000257308374 212022972 /nfs/dbraw/zinc/02/29/72/212022972.db2.gz TWMVYCLDQYGQPN-PZJWPPBQSA-N 1 1 376.497 3.074 40 0 GGABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)Cc4ccccc4OC)C[C@@H]32)cc1 ZINC000257305478 212021978 /nfs/dbraw/zinc/02/19/78/212021978.db2.gz SQFSONBQVGMIPN-YPAWHYETSA-N 1 1 394.515 3.193 40 0 GGABMO Cc1noc(C)c1-c1nc([C@@H]2CCC[N@@H+](Cc3cnccn3)C2)ccc1CO ZINC000257313792 212021913 /nfs/dbraw/zinc/02/19/13/212021913.db2.gz UUEBMYIVXLZDCO-MRXNPFEDSA-N 1 1 379.464 3.015 40 0 GGABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000257298456 212019449 /nfs/dbraw/zinc/01/94/49/212019449.db2.gz RLRGBYOOJQZELG-HSZRJFAPSA-N 1 1 378.520 3.091 40 0 GGABMO CCC[N@H+]1CC[C@H](c2cc3nc(C)c(CCC(=O)N4CCCCC4)c(C)n3n2)C1 ZINC000257288768 212018799 /nfs/dbraw/zinc/01/87/99/212018799.db2.gz PVOMHBPGTFXEAH-IBGZPJMESA-N 1 1 397.567 3.491 40 0 GGABMO Cc1cccc(C[N@@H+]2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)c1 ZINC000257280692 212016089 /nfs/dbraw/zinc/01/60/89/212016089.db2.gz OLYUGCGIDZIQIM-HXUWFJFHSA-N 1 1 380.536 3.458 40 0 GGABMO Cc1cnn(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@@H+](C)[C@@H]3Cc2ccccc2)c1 ZINC000257270320 212014290 /nfs/dbraw/zinc/01/42/90/212014290.db2.gz MTSCBAQUOGBBFB-CFKFVRPNSA-N 1 1 392.547 3.277 40 0 GGABMO CCN1C(=O)CC[C@@H](C(=O)NCC[N@@H+](C)C2CCCC2)[C@@H]1c1ccccc1F ZINC000257275243 212015713 /nfs/dbraw/zinc/01/57/13/212015713.db2.gz NOMWDEXLQRAEFL-NQIIRXRSSA-N 1 1 389.515 3.116 40 0 GGABMO CC[C@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)c1ccc(Cl)cc1 ZINC000024254410 209175111 /nfs/dbraw/zinc/17/51/11/209175111.db2.gz HNZQUYAJQKPFQP-INIZCTEOSA-N 1 1 381.867 3.476 40 0 GGABMO COc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCC[C@H]3O2)cc1Cn1cc[nH+]c1C ZINC000257260983 212012932 /nfs/dbraw/zinc/01/29/32/212012932.db2.gz LFHYOSUHAFSGIC-YVNJGZBMSA-N 1 1 383.492 3.383 40 0 GGABMO Cc1nc([C@]2(C)CCC[N@H+](Cc3cc(F)ccc3F)C2)nc2c1CC(=O)N2C ZINC000257261769 212012742 /nfs/dbraw/zinc/01/27/42/212012742.db2.gz LISJJNFSDCWEQB-OAQYLSRUSA-N 1 1 386.446 3.136 40 0 GGABMO Cc1nc([C@]2(C)CCC[N@@H+](Cc3cc(F)ccc3F)C2)nc2c1CC(=O)N2C ZINC000257261769 212012744 /nfs/dbraw/zinc/01/27/44/212012744.db2.gz LISJJNFSDCWEQB-OAQYLSRUSA-N 1 1 386.446 3.136 40 0 GGABMO C[N@H+]1CCCC[C@@H]2N(C(=O)c3cc(=O)[nH]c(-c4ccccc4)n3)CCC[C@@]21C ZINC000257234164 212009465 /nfs/dbraw/zinc/00/94/65/212009465.db2.gz GSLDJXVATPZICA-AVRDEDQJSA-N 1 1 380.492 3.328 40 0 GGABMO Cc1ccc(NC(=O)CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)[C@@H](O)C2)cc1 ZINC000257241535 212009291 /nfs/dbraw/zinc/00/92/91/212009291.db2.gz HYJFJSLFQXEYGV-UPVQGACJSA-N 1 1 393.531 3.035 40 0 GGABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)c1cc(C2CC2)n[nH]1 ZINC000257235823 212008808 /nfs/dbraw/zinc/00/88/08/212008808.db2.gz GZQYTOGQCLSPPQ-JCNLHEQBSA-N 1 1 398.555 3.128 40 0 GGABMO O=C(C[N@@H+]1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1)Nc1ccc(F)cc1 ZINC000257226850 212006803 /nfs/dbraw/zinc/00/68/03/212006803.db2.gz FMKWTEFZGFTUQT-NHCUHLMSSA-N 1 1 395.478 3.420 40 0 GGABMO O=C(C[N@H+]1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1)Nc1ccc(F)cc1 ZINC000257226850 212006807 /nfs/dbraw/zinc/00/68/07/212006807.db2.gz FMKWTEFZGFTUQT-NHCUHLMSSA-N 1 1 395.478 3.420 40 0 GGABMO CN(C)C(=O)c1sc2nc([C@@H]3CCCC[N@H+]3C3CCOCC3)ccc2c1N ZINC000257218960 212006099 /nfs/dbraw/zinc/00/60/99/212006099.db2.gz DFAHMVRPYMHWOT-INIZCTEOSA-N 1 1 388.537 3.286 40 0 GGABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000257220319 212006190 /nfs/dbraw/zinc/00/61/90/212006190.db2.gz DKJOMQLOELLMRS-INIZCTEOSA-N 1 1 385.512 3.173 40 0 GGABMO Cc1nc2cc([C@@H]3CCC[N@@H+]3C(C)C)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257220621 212004821 /nfs/dbraw/zinc/00/48/21/212004821.db2.gz DLMLZLHQNCYZGZ-FQEVSTJZSA-N 1 1 383.540 3.446 40 0 GGABMO Cc1nc2cc([C@H]3CCC[N@@H+]3C(C)C)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257220622 212005046 /nfs/dbraw/zinc/00/50/46/212005046.db2.gz DLMLZLHQNCYZGZ-HXUWFJFHSA-N 1 1 383.540 3.446 40 0 GGABMO CN(C)C(=O)c1sc2nc([C@H]3CCCC[N@H+]3C3CCOCC3)ccc2c1N ZINC000257218961 212004591 /nfs/dbraw/zinc/00/45/91/212004591.db2.gz DFAHMVRPYMHWOT-MRXNPFEDSA-N 1 1 388.537 3.286 40 0 GGABMO CNC(=O)c1sc2nc([C@@H]3CCC[N@H+]3Cc3cccc(C)n3)ccc2c1N ZINC000257210503 212003765 /nfs/dbraw/zinc/00/37/65/212003765.db2.gz BUXYODJACRVPIR-INIZCTEOSA-N 1 1 381.505 3.279 40 0 GGABMO O=C(Nc1cccc(NCC[NH+]2CCOCC2)c1)c1n[nH]c2c1CCCCCC2 ZINC000257200706 212001921 /nfs/dbraw/zinc/00/19/21/212001921.db2.gz AEOIILICCYJZFN-UHFFFAOYSA-N 1 1 397.523 3.065 40 0 GGABMO Cc1nc([C@H]2CC[N@@H+](CC3CC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000257201939 212001389 /nfs/dbraw/zinc/00/13/89/212001389.db2.gz AJSBCVNBFGKEGQ-IBGZPJMESA-N 1 1 376.504 3.464 40 0 GGABMO Cc1cccc(OCCNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000032824668 211941881 /nfs/dbraw/zinc/94/18/81/211941881.db2.gz XUDSOUXDJCDOPU-RTBURBONSA-N 1 1 382.504 3.413 40 0 GGABMO CO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCC[C@@H](C)C1 ZINC000225636474 211912682 /nfs/dbraw/zinc/91/26/82/211912682.db2.gz BNMNKGUFKGMKQG-XMSQKQJNSA-N 1 1 390.524 3.322 40 0 GGABMO O=C(NCc1nc(-c2ccccc2)no1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222599355 211805159 /nfs/dbraw/zinc/80/51/59/211805159.db2.gz SNWSUVLVSPKRDD-SFHVURJKSA-N 1 1 394.450 3.404 40 0 GGABMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N(C)Cc3cccnc3)c2c1C ZINC000098065885 211377852 /nfs/dbraw/zinc/37/78/52/211377852.db2.gz NDDVGFMVPPIJFY-UHFFFAOYSA-N 1 1 399.520 3.269 40 0 GGABMO COc1ccc(C[N@H+]2CCc3nc4cc(C)[n-]n4c(=O)c3CC2)cc1OC(C)C ZINC000100775118 211391079 /nfs/dbraw/zinc/39/10/79/211391079.db2.gz NXRISLAIEZFNCD-UHFFFAOYSA-N 1 1 396.491 3.140 40 0 GGABMO COc1ccc(NC(=O)c2ccc3nnc([C@H]4CC[N@H+](C(C)C)C4)n3c2)cc1 ZINC000096267466 211328905 /nfs/dbraw/zinc/32/89/05/211328905.db2.gz OGHNNFYBXLVSBX-HNNXBMFYSA-N 1 1 379.464 3.188 40 0 GGABMO CC(C)NC(=O)c1cc2c(nc1N(C)C)CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096260335 211327151 /nfs/dbraw/zinc/32/71/51/211327151.db2.gz BMGHXSNHPPALBC-UHFFFAOYSA-N 1 1 384.499 3.026 40 0 GGABMO COc1ccc(C[N@H+]2CCc3cc(C(=O)N(C)C)c(NC(C)C)nc3CC2)cc1 ZINC000096260433 211327048 /nfs/dbraw/zinc/32/70/48/211327048.db2.gz IODHECRSZRIZKO-UHFFFAOYSA-N 1 1 396.535 3.213 40 0 GGABMO COc1cccc(C[N@H+]2CCc3cc(C(=O)N(C)C)c(NC(C)C)nc3CC2)c1 ZINC000096260442 211326507 /nfs/dbraw/zinc/32/65/07/211326507.db2.gz RBBNGRIYRJLRII-UHFFFAOYSA-N 1 1 396.535 3.213 40 0 GGABMO Cc1noc(C)c1C[N@@H+]1CCc2cc(C(=O)N(C)C)c(NCC(C)C)nc2CC1 ZINC000096260503 211325952 /nfs/dbraw/zinc/32/59/52/211325952.db2.gz KUSWDLIFSMMASO-UHFFFAOYSA-N 1 1 399.539 3.057 40 0 GGABMO Cc1nc(NCC2CC2)nc2c1COC[C@@]21CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000096244495 211325586 /nfs/dbraw/zinc/32/55/86/211325586.db2.gz XBFOFSQQNPFHMV-QFIPXVFZSA-N 1 1 382.483 3.420 40 0 GGABMO C[C@@H](CNC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1)c1ccccc1 ZINC000096225724 211319277 /nfs/dbraw/zinc/31/92/77/211319277.db2.gz SSUPLQIVQZNEJH-GAJHUEQPSA-N 1 1 395.478 3.466 40 0 GGABMO C[C@@H](CNC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1)c1ccccc1 ZINC000096225724 211319283 /nfs/dbraw/zinc/31/92/83/211319283.db2.gz SSUPLQIVQZNEJH-GAJHUEQPSA-N 1 1 395.478 3.466 40 0 GGABMO Cc1nc(-c2cc(C(=O)N3CCC[N@@H+](C)CC3)c3ccccn23)cn1C(C)C ZINC000096154947 211311503 /nfs/dbraw/zinc/31/15/03/211311503.db2.gz BIWRFFLKMZEQET-UHFFFAOYSA-N 1 1 379.508 3.470 40 0 GGABMO CN(Cc1ccccc1)c1ccc2ccc(C(=O)N3CCC[N@@H+](C)CC3)cn21 ZINC000096146145 211310538 /nfs/dbraw/zinc/31/05/38/211310538.db2.gz RDGQGSQZMRNTCI-UHFFFAOYSA-N 1 1 376.504 3.353 40 0 GGABMO COc1cccc(C[N@@H+]2CCc3nc(C(=O)N4CCCCC4)sc3CC2)c1 ZINC000096147008 211310268 /nfs/dbraw/zinc/31/02/68/211310268.db2.gz OAUJWFPBXZMYDN-UHFFFAOYSA-N 1 1 385.533 3.379 40 0 GGABMO CCCN1CCC([NH+]2C[C@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@@H]3C2)CC1 ZINC000096245463 211324420 /nfs/dbraw/zinc/32/44/20/211324420.db2.gz ZIMQSGLFKXCVKQ-OALUTQOASA-N 1 1 389.971 3.147 40 0 GGABMO Cc1nc(NCC2CC2)nc2c1COC[C@@]21CC[N@@H+](Cc2ccccc2F)C1 ZINC000096244517 211324236 /nfs/dbraw/zinc/32/42/36/211324236.db2.gz YMQILTXHLHBFSK-QFIPXVFZSA-N 1 1 382.483 3.420 40 0 GGABMO O=C(c1ccc2ncccc2c1)N1CCCn2cnc(C[NH+]3CCCC3)c2C1 ZINC000096259310 211324133 /nfs/dbraw/zinc/32/41/33/211324133.db2.gz MJTFEQNFIMMCLK-UHFFFAOYSA-N 1 1 375.476 3.073 40 0 GGABMO O=C(c1ccco1)N1CCC2(CC1)C[N@@H+](C[C@H]1CCOC1)Cc1ccccc12 ZINC000096242538 211322599 /nfs/dbraw/zinc/32/25/99/211322599.db2.gz IUCZIFVJFQURRW-GOSISDBHSA-N 1 1 380.488 3.306 40 0 GGABMO CC(C)[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096228738 211321547 /nfs/dbraw/zinc/32/15/47/211321547.db2.gz IATLSJVJFMWCBC-HSZRJFAPSA-N 1 1 381.520 3.440 40 0 GGABMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)NCc4cccnc4)C3)C2)c1 ZINC000096215618 211320117 /nfs/dbraw/zinc/32/01/17/211320117.db2.gz ZSTVMWKZFBSOQY-QHCPKHFHSA-N 1 1 394.519 3.288 40 0 GGABMO Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCOc2ccccc2)C3)cn1 ZINC000096216339 211319950 /nfs/dbraw/zinc/31/99/50/211319950.db2.gz QGRJAFFYIXMHQG-HSZRJFAPSA-N 1 1 379.504 3.397 40 0 GGABMO C[C@H](CNC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1)c1ccccc1 ZINC000096225725 211319833 /nfs/dbraw/zinc/31/98/33/211319833.db2.gz SSUPLQIVQZNEJH-UZUQRXQVSA-N 1 1 395.478 3.466 40 0 GGABMO C[C@H](CNC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1)c1ccccc1 ZINC000096225725 211319837 /nfs/dbraw/zinc/31/98/37/211319837.db2.gz SSUPLQIVQZNEJH-UZUQRXQVSA-N 1 1 395.478 3.466 40 0 GGABMO C[C@@H](CNC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1)c1ccccc1 ZINC000096225726 211319650 /nfs/dbraw/zinc/31/96/50/211319650.db2.gz SSUPLQIVQZNEJH-SBUREZEXSA-N 1 1 395.478 3.466 40 0 GGABMO C[C@@H](CNC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1)c1ccccc1 ZINC000096225726 211319653 /nfs/dbraw/zinc/31/96/53/211319653.db2.gz SSUPLQIVQZNEJH-SBUREZEXSA-N 1 1 395.478 3.466 40 0 GGABMO CCS(=O)(=O)N1C[C@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC000096080793 211300338 /nfs/dbraw/zinc/30/03/38/211300338.db2.gz IPAPHIDFYWLQAL-OYRHEFFESA-N 1 1 384.545 3.032 40 0 GGABMO COCCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1nccs1)CC2 ZINC000096061346 211299113 /nfs/dbraw/zinc/29/91/13/211299113.db2.gz XQJZBMFKVJTGSG-SFHVURJKSA-N 1 1 385.533 3.140 40 0 GGABMO COCCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1nccs1)CC2 ZINC000096061347 211298769 /nfs/dbraw/zinc/29/87/69/211298769.db2.gz XQJZBMFKVJTGSG-GOSISDBHSA-N 1 1 385.533 3.140 40 0 GGABMO Cc1ccc(C(=O)N2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC000096078186 211298487 /nfs/dbraw/zinc/29/84/87/211298487.db2.gz QHUUFTUYMJZOLO-UHFFFAOYSA-N 1 1 379.504 3.145 40 0 GGABMO Cc1ccccc1C(=O)N1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096078184 211298342 /nfs/dbraw/zinc/29/83/42/211298342.db2.gz ZAMNIDXLCPWWOG-UHFFFAOYSA-N 1 1 379.504 3.145 40 0 GGABMO O=C(c1ccc(-c2ccncc2)cc1)N1CCC2(CC1)COCC[N@H+]2CC1CC1 ZINC000096074627 211298003 /nfs/dbraw/zinc/29/80/03/211298003.db2.gz SYWPQPZPOLPTLW-UHFFFAOYSA-N 1 1 391.515 3.466 40 0 GGABMO CC(C)n1c(C(=O)NCCC[NH+]2CCOCC2)cc2c1c1ccccc1n2C ZINC000096037277 211296878 /nfs/dbraw/zinc/29/68/78/211296878.db2.gz HLWCEWSBIZSTPO-UHFFFAOYSA-N 1 1 382.508 3.166 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)cc1 ZINC000096050778 211296770 /nfs/dbraw/zinc/29/67/70/211296770.db2.gz QNCDSVSXVLFAIC-JOCHJYFZSA-N 1 1 380.444 3.053 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccc(C)n4)C3=O)C2)cc1 ZINC000096048799 211296849 /nfs/dbraw/zinc/29/68/49/211296849.db2.gz ZORFIQXUQRNJCK-HSZRJFAPSA-N 1 1 379.504 3.413 40 0 GGABMO COCCn1c(C(=O)N2CC[NH+](C)CC2)cc2c1c1ccccc1n2C(C)C ZINC000096037336 211296176 /nfs/dbraw/zinc/29/61/76/211296176.db2.gz VMGUZPNSWASQBD-UHFFFAOYSA-N 1 1 382.508 3.211 40 0 GGABMO COc1ccccc1Oc1nccnc1[C@@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC000072363151 211103570 /nfs/dbraw/zinc/10/35/70/211103570.db2.gz BYLNVPNZRLJNHL-MRXNPFEDSA-N 1 1 379.464 3.391 40 0 GGABMO COc1ccccc1Oc1nccnc1[C@@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC000072363151 211103572 /nfs/dbraw/zinc/10/35/72/211103572.db2.gz BYLNVPNZRLJNHL-MRXNPFEDSA-N 1 1 379.464 3.391 40 0 GGABMO COc1ccccc1OCCc1cc([C@H]2CC[N@@H+](Cc3cnn(C)c3C)C2)[nH]n1 ZINC000072371457 211103289 /nfs/dbraw/zinc/10/32/89/211103289.db2.gz YDNHVNQCEFRJKX-KRWDZBQOSA-N 1 1 395.507 3.071 40 0 GGABMO COc1ccccc1OCCc1cc([C@H]2CC[N@H+](Cc3cnn(C)c3C)C2)n[nH]1 ZINC000072371457 211103292 /nfs/dbraw/zinc/10/32/92/211103292.db2.gz YDNHVNQCEFRJKX-KRWDZBQOSA-N 1 1 395.507 3.071 40 0 GGABMO COc1ccccc1OCCc1cc([C@H]2CC[N@@H+](Cc3cnn(C)c3C)C2)n[nH]1 ZINC000072371457 211103296 /nfs/dbraw/zinc/10/32/96/211103296.db2.gz YDNHVNQCEFRJKX-KRWDZBQOSA-N 1 1 395.507 3.071 40 0 GGABMO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCC[N@@H+]1Cc1ncc[nH]1 ZINC000072370278 211102898 /nfs/dbraw/zinc/10/28/98/211102898.db2.gz XQFRMTHUORVGOA-OAHLLOKOSA-N 1 1 398.532 3.208 40 0 GGABMO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCC[N@H+]1Cc1ncc[nH]1 ZINC000072370278 211102902 /nfs/dbraw/zinc/10/29/02/211102902.db2.gz XQFRMTHUORVGOA-OAHLLOKOSA-N 1 1 398.532 3.208 40 0 GGABMO CNc1nc([C@@H]2CCCC[N@H+]2CCc2ccccc2)nc2c1CN(C(C)=O)CC2 ZINC000072372190 211102873 /nfs/dbraw/zinc/10/28/73/211102873.db2.gz AKIYJRMPZOCTDT-NRFANRHFSA-N 1 1 393.535 3.193 40 0 GGABMO O=C(NCc1cccnc1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373033 211102632 /nfs/dbraw/zinc/10/26/32/211102632.db2.gz PFERJJZMEVHYDZ-GOTSBHOMSA-N 1 1 399.494 3.329 40 0 GGABMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[nH]c(C)nc2C3)cc1OC(C)C ZINC000072373027 211102381 /nfs/dbraw/zinc/10/23/81/211102381.db2.gz GBYPYUZLNWHBEN-DLBZAZTESA-N 1 1 383.492 3.418 40 0 GGABMO Nc1cc(-c2cncnc2[C@@H]2C[N@H+](Cc3cccc4cccnc43)CCO2)ccn1 ZINC000072370847 211102266 /nfs/dbraw/zinc/10/22/66/211102266.db2.gz HFROSCCUIGFOBY-FQEVSTJZSA-N 1 1 398.470 3.243 40 0 GGABMO Nc1cc(-c2cncnc2[C@@H]2C[N@@H+](Cc3cccc4cccnc43)CCO2)ccn1 ZINC000072370847 211102269 /nfs/dbraw/zinc/10/22/69/211102269.db2.gz HFROSCCUIGFOBY-FQEVSTJZSA-N 1 1 398.470 3.243 40 0 GGABMO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](CCCc2ccccc2)C3)C1 ZINC000072390909 211110549 /nfs/dbraw/zinc/11/05/49/211110549.db2.gz MJZACBDWNPJKPT-HXUWFJFHSA-N 1 1 378.520 3.193 40 0 GGABMO COc1ccc(C[C@@H](C)[N@H+]2CC[C@@]3(C2)CCc2ccccc2C(=O)N3)cc1OC ZINC000072395787 211110628 /nfs/dbraw/zinc/11/06/28/211110628.db2.gz BWJYBAXSNOVREG-MZNJEOGPSA-N 1 1 394.515 3.456 40 0 GGABMO O=c1cc([C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nc(-c2ccccn2)[nH]1 ZINC000072393228 211110357 /nfs/dbraw/zinc/11/03/57/211110357.db2.gz BKSPGTZKPSZBOK-CQSZACIVSA-N 1 1 382.414 3.490 40 0 GGABMO COc1cccc2ccc(C[N@H+]3C[C@@H]4CC[C@@](O)(c5ccccn5)[C@@H]4C3)nc21 ZINC000072392550 211109979 /nfs/dbraw/zinc/10/99/79/211109979.db2.gz ITQBTRAAZDPUQA-GWJPWWOOSA-N 1 1 375.472 3.368 40 0 GGABMO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](CCCc2ccccc2)C3)C1 ZINC000072390908 211109794 /nfs/dbraw/zinc/10/97/94/211109794.db2.gz MJZACBDWNPJKPT-FQEVSTJZSA-N 1 1 378.520 3.193 40 0 GGABMO Cc1[nH+]ccn1-c1cccc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 ZINC000072379037 211108688 /nfs/dbraw/zinc/10/86/88/211108688.db2.gz NCZPSGSHIMCXHH-UHFFFAOYSA-N 1 1 394.450 3.500 40 0 GGABMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3nccnc3Oc3cccnc3C)C2)CC1 ZINC000072384368 211108182 /nfs/dbraw/zinc/10/81/82/211108182.db2.gz MDJVMXGZPKTPQT-SFHVURJKSA-N 1 1 395.507 3.163 40 0 GGABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC000072379025 211107674 /nfs/dbraw/zinc/10/76/74/211107674.db2.gz IPADUVVVYGLDEM-SFHVURJKSA-N 1 1 376.460 3.361 40 0 GGABMO CC(C)[N@H+]1CCO[C@@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1 ZINC000072389082 211107703 /nfs/dbraw/zinc/10/77/03/211107703.db2.gz GJKSHIHUDYMUGT-HSZRJFAPSA-N 1 1 379.504 3.049 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(C(=O)NC4CCCC4)[nH]n3)C2)cc1 ZINC000072380588 211106845 /nfs/dbraw/zinc/10/68/45/211106845.db2.gz YEOSZAOSLSIGQB-KRWDZBQOSA-N 1 1 382.508 3.470 40 0 GGABMO Cc1cccnc1Nc1cccc([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072375944 211106012 /nfs/dbraw/zinc/10/60/12/211106012.db2.gz DUSGLHHAZFZPNV-SFHVURJKSA-N 1 1 379.508 3.330 40 0 GGABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000072378752 211105861 /nfs/dbraw/zinc/10/58/61/211105861.db2.gz HIYBEZNADCKWIV-GOSISDBHSA-N 1 1 386.452 3.241 40 0 GGABMO Fc1ccc(OCC[N@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377981 211105880 /nfs/dbraw/zinc/10/58/80/211105880.db2.gz NYYQRUCURCNCBT-MRXNPFEDSA-N 1 1 394.454 3.408 40 0 GGABMO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@H+](Cc4cnn(C)c4)C3)n2)n1 ZINC000072376053 211104912 /nfs/dbraw/zinc/10/49/12/211104912.db2.gz BHBUENFLOBPYMY-GOSISDBHSA-N 1 1 377.496 3.345 40 0 GGABMO CNc1nc([C@H]2CCCC[N@@H+]2Cc2ccccc2C)nc2c1CCN(C(C)=O)C2 ZINC000072376552 211104953 /nfs/dbraw/zinc/10/49/53/211104953.db2.gz SPOPLTQFFCIJLP-OAQYLSRUSA-N 1 1 393.535 3.459 40 0 GGABMO CNc1nc([C@H]2CCCC[N@H+]2Cc2ccccc2C)nc2c1CCN(C(C)=O)C2 ZINC000072376552 211104956 /nfs/dbraw/zinc/10/49/56/211104956.db2.gz SPOPLTQFFCIJLP-OAQYLSRUSA-N 1 1 393.535 3.459 40 0 GGABMO Cc1c(C[N@@H+]2CCC[C@@H]2c2ccc(C(=O)Nc3nccs3)cn2)cnn1C ZINC000072374441 211104794 /nfs/dbraw/zinc/10/47/94/211104794.db2.gz CYKXOTRFLWYXNC-QGZVFWFLSA-N 1 1 382.493 3.169 40 0 GGABMO Cc1c(C[N@H+]2CCC[C@@H]2c2ccc(C(=O)Nc3nccs3)cn2)cnn1C ZINC000072374441 211104797 /nfs/dbraw/zinc/10/47/97/211104797.db2.gz CYKXOTRFLWYXNC-QGZVFWFLSA-N 1 1 382.493 3.169 40 0 GGABMO Cc1cccc(-c2cccc([C@H]3CCC[N@@H+](CC(=O)N4CCOCC4)C3)n2)c1 ZINC000072348717 211095700 /nfs/dbraw/zinc/09/57/00/211095700.db2.gz MKMIBYXVIPMDRX-FQEVSTJZSA-N 1 1 379.504 3.095 40 0 GGABMO COCCOc1ccc(C[N@H+]2C[C@@H]3C(c4cccc(C)c4)=NO[C@@H]3C2)cc1OC ZINC000072343248 211095554 /nfs/dbraw/zinc/09/55/54/211095554.db2.gz HGGYUNVZPIKDOY-SIKLNZKXSA-N 1 1 396.487 3.264 40 0 GGABMO COCCOc1ccc(C[N@@H+]2C[C@@H]3C(c4cccc(C)c4)=NO[C@@H]3C2)cc1OC ZINC000072343248 211095557 /nfs/dbraw/zinc/09/55/57/211095557.db2.gz HGGYUNVZPIKDOY-SIKLNZKXSA-N 1 1 396.487 3.264 40 0 GGABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000072345892 211095271 /nfs/dbraw/zinc/09/52/71/211095271.db2.gz JPULHHYPLNYQLE-IBGZPJMESA-N 1 1 387.487 3.204 40 0 GGABMO Cc1cccc(-c2cccc([C@@H]3CCC[N@@H+](CC(=O)N4CCOCC4)C3)n2)c1 ZINC000072348716 211095131 /nfs/dbraw/zinc/09/51/31/211095131.db2.gz MKMIBYXVIPMDRX-HXUWFJFHSA-N 1 1 379.504 3.095 40 0 GGABMO COc1cc(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cc(OC)c1OC ZINC000072343253 211094983 /nfs/dbraw/zinc/09/49/83/211094983.db2.gz MCQBHAOIUWUGDG-XLIONFOSSA-N 1 1 382.460 3.256 40 0 GGABMO COc1cc(C[N@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cc(OC)c1OC ZINC000072343253 211094987 /nfs/dbraw/zinc/09/49/87/211094987.db2.gz MCQBHAOIUWUGDG-XLIONFOSSA-N 1 1 382.460 3.256 40 0 GGABMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3nc(N)ncc3-c3cccc(F)c3)C2)CC1 ZINC000072346204 211094828 /nfs/dbraw/zinc/09/48/28/211094828.db2.gz KOVMYZOFSGOIET-KRWDZBQOSA-N 1 1 397.498 3.055 40 0 GGABMO COc1ccc([C@@H](O)C[N@@H+]2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)cc1 ZINC000072342771 211093890 /nfs/dbraw/zinc/09/38/90/211093890.db2.gz IEXWURUYVCYEQB-NRFANRHFSA-N 1 1 378.476 3.177 40 0 GGABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3nccnc3-c3ccc(F)cc3)C2)CC1 ZINC000072359102 211101171 /nfs/dbraw/zinc/10/11/71/211101171.db2.gz SFVHBTCBBVJCQO-GOSISDBHSA-N 1 1 382.483 3.473 40 0 GGABMO COc1cccc(-c2cncc([C@@H]3CCC[N@@H+](CC(=O)N4CCCCC4)C3)n2)c1 ZINC000072359364 211100785 /nfs/dbraw/zinc/10/07/85/211100785.db2.gz RSAZCYNYLPESNA-LJQANCHMSA-N 1 1 394.519 3.344 40 0 GGABMO O=C(NCCO)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000072354988 211099442 /nfs/dbraw/zinc/09/94/42/211099442.db2.gz UVSJYEHBTGACGL-OAHLLOKOSA-N 1 1 381.501 3.008 40 0 GGABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2ccc(Nc3nc(C)cc(C)n3)cn2)C1 ZINC000072353266 211096794 /nfs/dbraw/zinc/09/67/94/211096794.db2.gz OAWFZBVCHPQECV-SFHVURJKSA-N 1 1 396.539 3.280 40 0 GGABMO Cc1ncc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)cn1 ZINC000072330401 211091918 /nfs/dbraw/zinc/09/19/18/211091918.db2.gz AUUNEHWRMHNJAC-IRLDBZIGSA-N 1 1 393.535 3.440 40 0 GGABMO COc1cc2nc3n(c(=O)c2cc1OC)C[C@H]1CC[C@@H](C3)[N@H+]1Cc1ccccc1 ZINC000072327372 211090514 /nfs/dbraw/zinc/09/05/14/211090514.db2.gz SHCYRICAJOZYKD-DLBZAZTESA-N 1 1 391.471 3.003 40 0 GGABMO Cc1[nH+]ccn1CC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000090560581 211035311 /nfs/dbraw/zinc/03/53/11/211035311.db2.gz MFNKOMLOTRPGJG-UHFFFAOYSA-N 1 1 387.427 3.311 40 0 GGABMO COc1cc(OC)cc(C(=O)N2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000408612212 533063244 /nfs/dbraw/zinc/06/32/44/533063244.db2.gz UXJABCFLVPVGLM-HXUWFJFHSA-N 1 1 380.488 3.367 40 0 GGABMO C[NH+]1CCN(N2CN(CCC3=CCCCC3)Cn3c4ccccc4nc32)CC1 ZINC000020637260 210353312 /nfs/dbraw/zinc/35/33/12/210353312.db2.gz XHVNOBBCZBFUAH-UHFFFAOYSA-N 1 1 380.540 3.126 40 0 GGABMO O=C(CSCc1ccc(Cl)c(Cl)c1)NCCC[NH+]1CCOCC1 ZINC000020454839 210335123 /nfs/dbraw/zinc/33/51/23/210335123.db2.gz OBJFLAQNHJASPZ-UHFFFAOYSA-N 1 1 377.337 3.065 40 0 GGABMO COc1ccc(-c2cc(CC3([NH2+]Cc4cccc(OC)c4)COC3)no2)cc1 ZINC000067898352 210333767 /nfs/dbraw/zinc/33/37/67/210333767.db2.gz WNLXSBLOTSQIHF-UHFFFAOYSA-N 1 1 380.444 3.460 40 0 biogenic,in-vitro GGABMO c1c(CC2([NH2+]Cc3ccc4c(c3)OCO4)COC2)noc1COc1ccccc1 ZINC000067898182 210333322 /nfs/dbraw/zinc/33/33/22/210333322.db2.gz HRGUHMFCZZIYSM-UHFFFAOYSA-N 1 1 394.427 3.084 40 0 biogenic,in-vitro GGABMO O=C(CC[NH+]1CCOCC1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000020052123 210313964 /nfs/dbraw/zinc/31/39/64/210313964.db2.gz QVUNZUALTBMNRZ-OAHLLOKOSA-N 1 1 375.519 3.210 40 0 GGABMO CNc1nc(C2CCN(C(=O)[C@H]3CCC(C)=C(C)C3)CC2)nc2c1CC[N@H+](C)C2 ZINC000019711544 210286412 /nfs/dbraw/zinc/28/64/12/210286412.db2.gz FKFIRBCKNRXTGG-SFHVURJKSA-N 1 1 397.567 3.349 40 0 GGABMO CNc1nc(C2CCN(C(=O)[C@H]3CCC(C)=C(C)C3)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019711544 210286415 /nfs/dbraw/zinc/28/64/15/210286415.db2.gz FKFIRBCKNRXTGG-SFHVURJKSA-N 1 1 397.567 3.349 40 0 GGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+](C)C3)nc(NCC3CCCCC3)c2C1 ZINC000019711469 210285796 /nfs/dbraw/zinc/28/57/96/210285796.db2.gz PMEUTHZAYFXISY-GOSISDBHSA-N 1 1 385.556 3.183 40 0 GGABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)CC1CCCCC1)CC2 ZINC000019711458 210285606 /nfs/dbraw/zinc/28/56/06/210285606.db2.gz NLKUUDPJHLOOIQ-KRWDZBQOSA-N 1 1 385.556 3.183 40 0 GGABMO CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C)C2)c1C ZINC000019715427 210285433 /nfs/dbraw/zinc/28/54/33/210285433.db2.gz XLDDKOKCJJPZRF-KRWDZBQOSA-N 1 1 394.523 3.225 40 0 GGABMO CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4n3C)C2)c1C ZINC000019715427 210285443 /nfs/dbraw/zinc/28/54/43/210285443.db2.gz XLDDKOKCJJPZRF-KRWDZBQOSA-N 1 1 394.523 3.225 40 0 GGABMO CC(C)NC(=O)c1cc([C@H]2CC[N@@H+](Cc3ccnn3C)C2)nc2ccccc21 ZINC000019762678 210296571 /nfs/dbraw/zinc/29/65/71/210296571.db2.gz RKILAZRJSQSOTF-INIZCTEOSA-N 1 1 377.492 3.096 40 0 GGABMO CNc1cc(CN(C)C(=O)CCCc2ccc(F)cc2)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000019760257 210295321 /nfs/dbraw/zinc/29/53/21/210295321.db2.gz VRKXHOLTUQQDAP-LJQANCHMSA-N 1 1 399.514 3.405 40 0 GGABMO CNc1cc(CN(C)C(=O)CCCc2ccc(F)cc2)nc([C@H]2CCC[N@H+]2C)n1 ZINC000019760257 210295325 /nfs/dbraw/zinc/29/53/25/210295325.db2.gz VRKXHOLTUQQDAP-LJQANCHMSA-N 1 1 399.514 3.405 40 0 GGABMO CC(C)c1ncc(C[N@H+]2CC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cn1 ZINC000019747985 210291511 /nfs/dbraw/zinc/29/15/11/210291511.db2.gz MSTOMXPKZNXYMG-LJQANCHMSA-N 1 1 391.519 3.262 40 0 GGABMO CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c1C ZINC000019719751 210289175 /nfs/dbraw/zinc/28/91/75/210289175.db2.gz CEWVPUSGXLWUEX-KRWDZBQOSA-N 1 1 394.523 3.289 40 0 GGABMO CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c1C ZINC000019719751 210289176 /nfs/dbraw/zinc/28/91/76/210289176.db2.gz CEWVPUSGXLWUEX-KRWDZBQOSA-N 1 1 394.523 3.289 40 0 GGABMO Cc1c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)sc2[nH]cnc(=O)c12 ZINC000019717835 210289302 /nfs/dbraw/zinc/28/93/02/210289302.db2.gz KXVUHPKLKMJOMZ-MRXNPFEDSA-N 1 1 396.516 3.168 40 0 GGABMO Cn1nccc1-c1cc(C(=O)NCC[N@@H+](C)C2CCCC2)c2ccccc2n1 ZINC000019716549 210287583 /nfs/dbraw/zinc/28/75/83/210287583.db2.gz OJCXMMFSZBOMFE-UHFFFAOYSA-N 1 1 377.492 3.240 40 0 GGABMO Cc1noc2nc(C)cc(C(=O)N[C@@H](CC[NH+]3CCOCC3)c3ccccc3)c12 ZINC000019715879 210287371 /nfs/dbraw/zinc/28/73/71/210287371.db2.gz KCTNYOSPDPNWJQ-IBGZPJMESA-N 1 1 394.475 3.033 40 0 GGABMO Cn1ccc(-c2cc(C(=O)NCC[N@@H+](C)C3CCCC3)c3ccccc3n2)n1 ZINC000019716420 210287382 /nfs/dbraw/zinc/28/73/82/210287382.db2.gz SJCUHVCTOWDPTK-UHFFFAOYSA-N 1 1 377.492 3.240 40 0 GGABMO CC[C@H](CO)[N@@H+](Cc1ccccc1F)Cc1cc2c(cc1C)n(C)c(=O)n2C ZINC000019715793 210287498 /nfs/dbraw/zinc/28/74/98/210287498.db2.gz BQIKEICEYZUMDT-GOSISDBHSA-N 1 1 385.483 3.098 40 0 GGABMO CCOc1ccc(CCC(=O)N2CCC(c3cc(C[NH+](C)C)n(C)n3)CC2)cc1 ZINC000019710175 210286775 /nfs/dbraw/zinc/28/67/75/210286775.db2.gz DUTIPBFRHHOGQA-UHFFFAOYSA-N 1 1 398.551 3.219 40 0 GGABMO CCNc1nc(C)c(C(=O)N2CCCC[C@@H]2c2cc(C[NH+](C)C)n(C)n2)s1 ZINC000019709116 210284643 /nfs/dbraw/zinc/28/46/43/210284643.db2.gz LMSLYXWMLOLJIM-MRXNPFEDSA-N 1 1 390.557 3.046 40 0 GGABMO c1cc(CN2CCc3nnc([C@H]4CCC[NH2+]4)n3CC2)cc(OC2CCCC2)c1 ZINC000019706404 210284697 /nfs/dbraw/zinc/28/46/97/210284697.db2.gz PSHADBSRBWNOJF-HXUWFJFHSA-N 1 1 381.524 3.082 40 0 GGABMO CCn1ccc(NC(=O)c2ccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)nc2)n1 ZINC000019706016 210284289 /nfs/dbraw/zinc/28/42/89/210284289.db2.gz VKQSVZCJCCHLFC-SFHVURJKSA-N 1 1 390.491 3.325 40 0 GGABMO Cn1nc([C@@H]2CCCN2C(=O)CCCOc2cccc(F)c2)cc1C[NH+](C)C ZINC000019709429 210284142 /nfs/dbraw/zinc/28/41/42/210284142.db2.gz YFUGWWKPEQMEAP-FQEVSTJZSA-N 1 1 388.487 3.144 40 0 GGABMO CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(C[NH+](C)C)n(C)n2)cc1 ZINC000019709123 210283981 /nfs/dbraw/zinc/28/39/81/210283981.db2.gz FPKHPMVTOCAPJZ-OAQYLSRUSA-N 1 1 384.524 3.177 40 0 GGABMO O=C(C[NH+]1CCC(c2ccc(-c3cncnc3)cn2)CC1)Nc1ccc(F)cc1 ZINC000019689034 210281651 /nfs/dbraw/zinc/28/16/51/210281651.db2.gz WSWOUODEOHZEJW-UHFFFAOYSA-N 1 1 391.450 3.496 40 0 GGABMO CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000019689979 210281531 /nfs/dbraw/zinc/28/15/31/210281531.db2.gz DOVDMNADJXKSGV-IBGZPJMESA-N 1 1 380.471 3.419 40 0 GGABMO Cc1ccc(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3)C2)cc1N1CCOCC1 ZINC000019664070 210280032 /nfs/dbraw/zinc/28/00/32/210280032.db2.gz RCVRLJXFIUQNRG-JOCHJYFZSA-N 1 1 393.531 3.051 40 0 GGABMO COc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1 ZINC000019661202 210279757 /nfs/dbraw/zinc/27/97/57/210279757.db2.gz LGBURXFKHPRBLF-LJQANCHMSA-N 1 1 377.448 3.083 40 0 GGABMO COc1cccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1 ZINC000019661202 210279761 /nfs/dbraw/zinc/27/97/61/210279761.db2.gz LGBURXFKHPRBLF-LJQANCHMSA-N 1 1 377.448 3.083 40 0 GGABMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000019657829 210278464 /nfs/dbraw/zinc/27/84/64/210278464.db2.gz USKDLWIHMXRFKS-GOSISDBHSA-N 1 1 381.476 3.231 40 0 GGABMO COc1cc(OC)cc(-c2nnc(NC(=O)C[C@@H]3CCCC[N@H+]3C)s2)c1 ZINC000019659460 210278242 /nfs/dbraw/zinc/27/82/42/210278242.db2.gz KCEYUTHXBGZSGM-ZDUSSCGKSA-N 1 1 376.482 3.035 40 0 GGABMO O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000019659119 210277750 /nfs/dbraw/zinc/27/77/50/210277750.db2.gz HCAYZPICLMHHHA-MRXNPFEDSA-N 1 1 385.468 3.249 40 0 GGABMO O=C(C[N@H+]1CCC[C@@H]1Cn1cccn1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000019659119 210277753 /nfs/dbraw/zinc/27/77/53/210277753.db2.gz HCAYZPICLMHHHA-MRXNPFEDSA-N 1 1 385.468 3.249 40 0 GGABMO Cc1cc(NC(=O)C[NH+]2CCC(COc3ccc(Cl)cc3)CC2)nn1C ZINC000019658923 210276472 /nfs/dbraw/zinc/27/64/72/210276472.db2.gz XVERPMHINHDJCJ-UHFFFAOYSA-N 1 1 376.888 3.111 40 0 GGABMO COCC[NH+]1CCN(Cc2c3cccnc3[nH]c2-c2ccc(OC)cc2)CC1 ZINC000019593423 210275820 /nfs/dbraw/zinc/27/58/20/210275820.db2.gz CLKVYXMKEKQIIQ-UHFFFAOYSA-N 1 1 380.492 3.003 40 0 GGABMO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)cc(OC)c1 ZINC000019595065 210275555 /nfs/dbraw/zinc/27/55/55/210275555.db2.gz GRZZZCIOWHBSPI-HRAATJIYSA-N 1 1 380.492 3.356 40 0 GGABMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)cc(OC)c1 ZINC000019595065 210275559 /nfs/dbraw/zinc/27/55/59/210275559.db2.gz GRZZZCIOWHBSPI-HRAATJIYSA-N 1 1 380.492 3.356 40 0 GGABMO COCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)no1 ZINC000019593552 210275287 /nfs/dbraw/zinc/27/52/87/210275287.db2.gz JKOWQGDETDNNKG-HNNXBMFYSA-N 1 1 377.872 3.084 40 0 GGABMO CNc1ncccc1C[N@@H+]1C[C@@H](c2cc(F)ccc2F)[C@]2(C1)CCCC(=O)N2 ZINC000019592064 210275013 /nfs/dbraw/zinc/27/50/13/210275013.db2.gz GCLYEFHHOPDLPU-LAUBAEHRSA-N 1 1 386.446 3.040 40 0 GGABMO CNc1ncccc1C[N@H+]1C[C@@H](c2cc(F)ccc2F)[C@]2(C1)CCCC(=O)N2 ZINC000019592064 210275018 /nfs/dbraw/zinc/27/50/18/210275018.db2.gz GCLYEFHHOPDLPU-LAUBAEHRSA-N 1 1 386.446 3.040 40 0 GGABMO Cc1nn2c(nc3c(c2NCCC[NH+]2CCOCC2)CCC3)c1-c1cccs1 ZINC000019582112 210271121 /nfs/dbraw/zinc/27/11/21/210271121.db2.gz FMRHABBBSKDJGX-UHFFFAOYSA-N 1 1 397.548 3.389 40 0 GGABMO C[NH+](C)CCNCc1cc2c(-c3ccccc3)nn(-c3ccccc3)c2[nH]c1=O ZINC000019582929 210270432 /nfs/dbraw/zinc/27/04/32/210270432.db2.gz IBIINELKSRWHDY-UHFFFAOYSA-N 1 1 387.487 3.032 40 0 GGABMO CN(C)c1ncccc1C[N@@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019584134 210270102 /nfs/dbraw/zinc/27/01/02/210270102.db2.gz ZSIFDZUWAPYSOD-LJQANCHMSA-N 1 1 390.491 3.432 40 0 GGABMO CN(C)c1ncccc1C[N@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019584134 210270106 /nfs/dbraw/zinc/27/01/06/210270106.db2.gz ZSIFDZUWAPYSOD-LJQANCHMSA-N 1 1 390.491 3.432 40 0 GGABMO Cc1oc2c(c1C(=O)N1CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C1)CCCC2 ZINC000019581222 210269631 /nfs/dbraw/zinc/26/96/31/210269631.db2.gz QVTBRZIWZQZOAM-MRXNPFEDSA-N 1 1 394.519 3.265 40 0 GGABMO COCc1ccc(OC)c(CN2C[C@H](C[NH+]3CCOCC3)c3ccccc32)c1 ZINC000019594328 210274381 /nfs/dbraw/zinc/27/43/81/210274381.db2.gz FAUWFVHIEAYVJU-FQEVSTJZSA-N 1 1 382.504 3.278 40 0 GGABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)c4cc5c(cccc5F)[nH]4)C3)ncc2C1 ZINC000019590434 210273891 /nfs/dbraw/zinc/27/38/91/210273891.db2.gz MHVONNDNBNTZES-CQSZACIVSA-N 1 1 393.466 3.105 40 0 GGABMO C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccc(N4CCCC4)cc3)ncc2C1 ZINC000019590553 210273902 /nfs/dbraw/zinc/27/39/02/210273902.db2.gz KLEDFHOTKWCPPS-OAQYLSRUSA-N 1 1 391.519 3.042 40 0 GGABMO CN(C)c1ncc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@H+]3C)cn1 ZINC000019589118 210273430 /nfs/dbraw/zinc/27/34/30/210273430.db2.gz PXEJEFBPQZGPCP-HBMCJLEFSA-N 1 1 393.535 3.025 40 0 GGABMO COCc1ccc(OC)c(CN2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019590319 210273475 /nfs/dbraw/zinc/27/34/75/210273475.db2.gz DBWLLXGQBPQNDK-NRFANRHFSA-N 1 1 396.535 3.347 40 0 GGABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)c4cc5ccccc5o4)C3)ncc2C1 ZINC000019590442 210273499 /nfs/dbraw/zinc/27/34/99/210273499.db2.gz BRLZYBJTDHECOF-MRXNPFEDSA-N 1 1 376.460 3.231 40 0 GGABMO COc1ccc2oc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CC[N@H+](C)C4)cc2c1 ZINC000019590547 210273353 /nfs/dbraw/zinc/27/33/53/210273353.db2.gz BALADKLDQQAWHU-SFHVURJKSA-N 1 1 392.459 3.197 40 0 GGABMO COc1cccc(CN2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1OC ZINC000019590347 210273387 /nfs/dbraw/zinc/27/33/87/210273387.db2.gz LGQBURRUOHSEJJ-IBGZPJMESA-N 1 1 382.508 3.209 40 0 GGABMO COc1cc(CCC(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CC[N@H+]3C)on1 ZINC000019590181 210273066 /nfs/dbraw/zinc/27/30/66/210273066.db2.gz KWTGPOVPKNYPRY-TXTKFYIRSA-N 1 1 397.519 3.485 40 0 GGABMO C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3cc4c(s3)CCCC4)ncc2C1 ZINC000019590544 210273096 /nfs/dbraw/zinc/27/30/96/210273096.db2.gz UTHGRUPXIWUARB-KRWDZBQOSA-N 1 1 382.533 3.382 40 0 GGABMO CN1CC[N@@H+](Cc2ccncc2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019589503 210272999 /nfs/dbraw/zinc/27/29/99/210272999.db2.gz MIRFEXQHENJAQC-HSZRJFAPSA-N 1 1 386.499 3.277 40 0 GGABMO COc1ccc(CCC(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1 ZINC000019590287 210272690 /nfs/dbraw/zinc/27/26/90/210272690.db2.gz MSYDWRKPKBCXNA-NRFANRHFSA-N 1 1 394.519 3.160 40 0 GGABMO COc1cc(CN2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc(OC)c1 ZINC000019590316 210272580 /nfs/dbraw/zinc/27/25/80/210272580.db2.gz ZCKQYRLANNGTEY-OAQYLSRUSA-N 1 1 382.508 3.209 40 0 GGABMO COc1cc(CN2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc(OC)c1 ZINC000019590317 210272656 /nfs/dbraw/zinc/27/26/56/210272656.db2.gz ZCKQYRLANNGTEY-NRFANRHFSA-N 1 1 382.508 3.209 40 0 GGABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)c4cc5c(cccc5F)[nH]4)C3)ncc2C1 ZINC000019590435 210272411 /nfs/dbraw/zinc/27/24/11/210272411.db2.gz MHVONNDNBNTZES-AWEZNQCLSA-N 1 1 393.466 3.105 40 0 GGABMO CN1CC[N@@H+](Cc2ccccn2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019589462 210272448 /nfs/dbraw/zinc/27/24/48/210272448.db2.gz BJYKGXPHADXCLG-QFIPXVFZSA-N 1 1 386.499 3.277 40 0 GGABMO C[N@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1cn2cccnc2n1 ZINC000019590197 210272156 /nfs/dbraw/zinc/27/21/56/210272156.db2.gz PPKYLAQOBCDYLZ-HMXCVIKNSA-N 1 1 389.503 3.212 40 0 GGABMO C[N@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CN1CCCCCC1=O ZINC000019590185 210271857 /nfs/dbraw/zinc/27/18/57/210271857.db2.gz KSLCAIOOFNXZDW-PQNGQFLHSA-N 1 1 397.563 3.258 40 0 GGABMO COc1ccc(C(=O)N(C)C2CCC3(CC2)C[N@@H+](C)Cc2ccccc2O3)cn1 ZINC000019590865 210271894 /nfs/dbraw/zinc/27/18/94/210271894.db2.gz WRBMZVOOBONRBS-UHFFFAOYSA-N 1 1 395.503 3.368 40 0 GGABMO COc1cc(CN2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)cc(OC)c1 ZINC000019588992 210271655 /nfs/dbraw/zinc/27/16/55/210271655.db2.gz JGJOHQHJYKGJRZ-NRFANRHFSA-N 1 1 382.508 3.209 40 0 GGABMO COc1cc(CN2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)cc(OC)c1 ZINC000019588992 210271656 /nfs/dbraw/zinc/27/16/56/210271656.db2.gz JGJOHQHJYKGJRZ-NRFANRHFSA-N 1 1 382.508 3.209 40 0 GGABMO C[N@H+]1CCc2nc(C3CCN(C(=O)c4csc5c4CCCC5)CC3)ncc2C1 ZINC000019590702 210271682 /nfs/dbraw/zinc/27/16/82/210271682.db2.gz ZLQLZAUEIXWOQP-UHFFFAOYSA-N 1 1 396.560 3.425 40 0 GGABMO COCc1ccc(OC)c(C[N@@H+]2CCc3nc([C@H]4CCCCN4C)ncc3C2)c1 ZINC000019588998 210271709 /nfs/dbraw/zinc/27/17/09/210271709.db2.gz VUNCFCVRROSGDO-OAQYLSRUSA-N 1 1 396.535 3.347 40 0 GGABMO COCc1ccc(OC)c(C[N@H+]2CCc3nc([C@H]4CCCCN4C)ncc3C2)c1 ZINC000019588998 210271711 /nfs/dbraw/zinc/27/17/11/210271711.db2.gz VUNCFCVRROSGDO-OAQYLSRUSA-N 1 1 396.535 3.347 40 0 GGABMO COc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c(C)c1C ZINC000012122129 221154080 /nfs/dbraw/zinc/15/40/80/221154080.db2.gz MPFPGZHZGAJTLB-UHFFFAOYSA-N 1 1 376.460 3.428 40 0 GGABMO CCc1cc(N2CCOCC2)nc(C2=CC[N@@H+](Cc3ccc(C)cc3)CC2)n1 ZINC000012185791 221163756 /nfs/dbraw/zinc/16/37/56/221163756.db2.gz PVMOGVWVTKBUMP-UHFFFAOYSA-N 1 1 378.520 3.473 40 0 GGABMO COc1ccc(C(=O)N2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc1OC ZINC000408610006 533299353 /nfs/dbraw/zinc/29/93/53/533299353.db2.gz QCBHEFVLSLPNJY-FQEVSTJZSA-N 1 1 380.488 3.367 40 0 GGABMO C/C(=C\c1ccccc1)C[N@H+]1CCc2c(=O)[nH]c(N3C[C@@H](C)O[C@@H](C)C3)nc2C1 ZINC000072335652 533411558 /nfs/dbraw/zinc/41/15/58/533411558.db2.gz SZBKIWZCWSZTNO-BOLKPDSISA-N 1 1 394.519 3.257 40 0 GGABMO C/C(=C\c1ccccc1)C[N@@H+]1CCc2c(=O)[nH]c(N3C[C@@H](C)O[C@@H](C)C3)nc2C1 ZINC000072335652 533411564 /nfs/dbraw/zinc/41/15/64/533411564.db2.gz SZBKIWZCWSZTNO-BOLKPDSISA-N 1 1 394.519 3.257 40 0 GGABMO Cc1oc2ccccc2c1C[N@@H+]1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1 ZINC000072335537 136168391 /nfs/dbraw/zinc/16/83/91/136168391.db2.gz YVJATCLRFLPRGF-UHFFFAOYSA-N 1 1 378.476 3.373 40 0 GGABMO Cc1oc2ccccc2c1C[N@H+]1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1 ZINC000072335537 136168392 /nfs/dbraw/zinc/16/83/92/136168392.db2.gz YVJATCLRFLPRGF-UHFFFAOYSA-N 1 1 378.476 3.373 40 0 GGABMO COCC[NH+]1CCN(c2c(C)c(C)nc3c(-c4ccccc4)c(C)nn32)CC1 ZINC000072341699 136168558 /nfs/dbraw/zinc/16/85/58/136168558.db2.gz QNBSGJQQPRPFPA-UHFFFAOYSA-N 1 1 379.508 3.090 40 0 GGABMO COc1ccc(C[N@@H+]2CC=C(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)cc1 ZINC000072339544 136168603 /nfs/dbraw/zinc/16/86/03/136168603.db2.gz BZULHSXTGRLYQO-UHFFFAOYSA-N 1 1 394.519 3.228 40 0 GGABMO CC(C)c1ccc(C[N@@H+]2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347179 136168812 /nfs/dbraw/zinc/16/88/12/136168812.db2.gz IGMNMCBHPSQMMP-IRXDYDNUSA-N 1 1 396.535 3.478 40 0 GGABMO CC(C)c1ccc(C[N@H+]2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347179 136168813 /nfs/dbraw/zinc/16/88/13/136168813.db2.gz IGMNMCBHPSQMMP-IRXDYDNUSA-N 1 1 396.535 3.478 40 0 GGABMO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2c[nH]c4ccccc24)CC3)CC1 ZINC000072347467 136168880 /nfs/dbraw/zinc/16/88/80/136168880.db2.gz KTGLHIIHQNEOGD-UHFFFAOYSA-N 1 1 377.492 3.046 40 0 GGABMO Cc1nc([C@@H]2CCC[N@@H+]2C2CCOCC2)nc2c1CCC(=O)N2CCC(C)C ZINC000072371103 136168972 /nfs/dbraw/zinc/16/89/72/136168972.db2.gz KWMYQQLKSZVOEG-IBGZPJMESA-N 1 1 386.540 3.426 40 0 GGABMO Cc1nc([C@@H]2CCC[N@H+]2C2CCOCC2)nc2c1CCC(=O)N2CCC(C)C ZINC000072371103 136168973 /nfs/dbraw/zinc/16/89/73/136168973.db2.gz KWMYQQLKSZVOEG-IBGZPJMESA-N 1 1 386.540 3.426 40 0 GGABMO Cc1onc(C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)c1C[NH+](C)C ZINC000072391765 136169189 /nfs/dbraw/zinc/16/91/89/136169189.db2.gz UIOWXPLGSQVCLQ-UHFFFAOYSA-N 1 1 396.413 3.026 40 0 GGABMO CC(C)c1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)nc(N(C)C)c3C2)cc1 ZINC000096254018 136185982 /nfs/dbraw/zinc/18/59/82/136185982.db2.gz CDJQCAHSFPPHGF-UHFFFAOYSA-N 1 1 395.551 3.061 40 0 GGABMO CC(C)c1ccc(C[N@H+]2CCc3nc(N4CCOCC4)nc(N(C)C)c3C2)cc1 ZINC000096254018 136185983 /nfs/dbraw/zinc/18/59/83/136185983.db2.gz CDJQCAHSFPPHGF-UHFFFAOYSA-N 1 1 395.551 3.061 40 0 GGABMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2Cl)CC1 ZINC000004412832 136194006 /nfs/dbraw/zinc/19/40/06/136194006.db2.gz XCJXGQALIMHJSD-UHFFFAOYSA-N 1 1 387.867 3.115 40 0 GGABMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)NC4CCCCC4)cc3)nn2)CC1 ZINC000013611706 136201293 /nfs/dbraw/zinc/20/12/93/136201293.db2.gz MAAFHTSGNGSCDE-UHFFFAOYSA-N 1 1 394.523 3.350 40 0 GGABMO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2N2CCOCC2)cc1F ZINC000015039172 136201885 /nfs/dbraw/zinc/20/18/85/136201885.db2.gz PAXNXPAGQPMDPG-QGZVFWFLSA-N 1 1 385.483 3.430 40 0 GGABMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1F ZINC000015039172 136201886 /nfs/dbraw/zinc/20/18/86/136201886.db2.gz PAXNXPAGQPMDPG-QGZVFWFLSA-N 1 1 385.483 3.430 40 0 GGABMO CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000514288795 560033931 /nfs/dbraw/zinc/03/39/31/560033931.db2.gz BTZAIFSRDDJVAM-GGAORHGYSA-N 1 1 385.467 3.466 40 0 biogenic,in-vitro GGABMO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@@H+](Cc3cccs3)C[C@H]21 ZINC000514288632 560034230 /nfs/dbraw/zinc/03/42/30/560034230.db2.gz KDQDXSVDMBDJPX-ZBFHGGJFSA-N 1 1 382.407 3.484 40 0 biogenic,in-vitro GGABMO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@H+](Cc3cccs3)C[C@H]21 ZINC000514288632 560034231 /nfs/dbraw/zinc/03/42/31/560034231.db2.gz KDQDXSVDMBDJPX-ZBFHGGJFSA-N 1 1 382.407 3.484 40 0 biogenic,in-vitro GGABMO CC[NH+](CC)Cc1nc(C2(O)CCN(C(=O)c3cccc(F)c3)CC2)cs1 ZINC000225464235 560043370 /nfs/dbraw/zinc/04/33/70/560043370.db2.gz XFGFZKFCZUVKOM-UHFFFAOYSA-N 1 1 391.512 3.248 40 0 biogenic,in-vitro GGABMO O=C1N(Cc2ccccn2)C[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)CCN12 ZINC000096269113 560054130 /nfs/dbraw/zinc/05/41/30/560054130.db2.gz RSVPKKHRCHBQMV-GOSISDBHSA-N 1 1 390.409 3.222 40 0 biogenic,in-vitro GGABMO O=C1N(Cc2ccccn2)C[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)CCN12 ZINC000096269113 560054131 /nfs/dbraw/zinc/05/41/31/560054131.db2.gz RSVPKKHRCHBQMV-GOSISDBHSA-N 1 1 390.409 3.222 40 0 biogenic,in-vitro GGABMO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3F)nc2c1 ZINC000096112369 560060621 /nfs/dbraw/zinc/06/06/21/560060621.db2.gz PGXRZYJMPOJOQW-APWZRJJASA-N 1 1 383.423 3.089 40 0 biogenic,in-vitro GGABMO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3F)nc2c1 ZINC000096112369 560060622 /nfs/dbraw/zinc/06/06/22/560060622.db2.gz PGXRZYJMPOJOQW-APWZRJJASA-N 1 1 383.423 3.089 40 0 biogenic,in-vitro GGABMO Cn1cc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)c2ccccc21 ZINC000096112152 560061295 /nfs/dbraw/zinc/06/12/95/560061295.db2.gz MEGWTEICJJHJBD-APWZRJJASA-N 1 1 379.439 3.189 40 0 biogenic,in-vitro GGABMO Cn1cc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)c2ccccc21 ZINC000096112152 560061296 /nfs/dbraw/zinc/06/12/96/560061296.db2.gz MEGWTEICJJHJBD-APWZRJJASA-N 1 1 379.439 3.189 40 0 biogenic,in-vitro GGABMO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)cn1 ZINC000035425376 560080025 /nfs/dbraw/zinc/08/00/25/560080025.db2.gz MACAVIYZAFUHKT-SFHVURJKSA-N 1 1 380.448 3.494 40 0 biogenic,in-vitro GGABMO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)cn1 ZINC000035425376 560080026 /nfs/dbraw/zinc/08/00/26/560080026.db2.gz MACAVIYZAFUHKT-SFHVURJKSA-N 1 1 380.448 3.494 40 0 biogenic,in-vitro GGABMO c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc1 ZINC000035425260 560080288 /nfs/dbraw/zinc/08/02/88/560080288.db2.gz RGUXZQHAAFNMPG-IBGZPJMESA-N 1 1 391.475 3.305 40 0 biogenic,in-vitro GGABMO c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc1 ZINC000035425260 560080289 /nfs/dbraw/zinc/08/02/89/560080289.db2.gz RGUXZQHAAFNMPG-IBGZPJMESA-N 1 1 391.475 3.305 40 0 biogenic,in-vitro GGABMO O=S(=O)(CC[N@@H+]1CCc2ccccc2C1)Oc1ccc(Br)cc1 ZINC000003313536 564195592 /nfs/dbraw/zinc/19/55/92/564195592.db2.gz AVQSNKASFVVGSE-UHFFFAOYSA-N 1 1 396.306 3.216 40 0 GGABMO O=S(=O)(CC[N@H+]1CCc2ccccc2C1)Oc1ccc(Br)cc1 ZINC000003313536 564195597 /nfs/dbraw/zinc/19/55/97/564195597.db2.gz AVQSNKASFVVGSE-UHFFFAOYSA-N 1 1 396.306 3.216 40 0 GGABMO COc1cc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc(OC)c1Br ZINC000007240809 564234297 /nfs/dbraw/zinc/23/42/97/564234297.db2.gz CYEVXODRXCQPJS-CYBMUJFWSA-N 1 1 399.329 3.461 40 0 GGABMO O=S(=O)(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000008663437 564250842 /nfs/dbraw/zinc/25/08/42/564250842.db2.gz IIDRPSSKFQUUIN-INIZCTEOSA-N 1 1 395.322 3.002 40 0 GGABMO O=S(=O)(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000008663437 564250846 /nfs/dbraw/zinc/25/08/46/564250846.db2.gz IIDRPSSKFQUUIN-INIZCTEOSA-N 1 1 395.322 3.002 40 0 GGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)Cc2c(F)cccc2Cl)C1 ZINC000010544116 564259204 /nfs/dbraw/zinc/25/92/04/564259204.db2.gz MGCFICMXLNOCGY-OKILXGFUSA-N 1 1 376.925 3.267 40 0 GGABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000022512731 564317539 /nfs/dbraw/zinc/31/75/39/564317539.db2.gz WNPFMTIQRNNLBQ-UHFFFAOYSA-N 1 1 375.881 3.454 40 0 GGABMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000038629174 564423110 /nfs/dbraw/zinc/42/31/10/564423110.db2.gz ABHBPHQGBFVIJA-ZDUSSCGKSA-N 1 1 378.441 3.348 40 0 GGABMO C[C@@H](CNC(=O)/C=C/c1cccc(Br)c1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000040081286 564424806 /nfs/dbraw/zinc/42/48/06/564424806.db2.gz SZAZNLLFHXIZJT-BSAHJYFCSA-N 1 1 381.314 3.076 40 0 GGABMO CN1CC[NH+](Cc2ccc(NC(=O)c3cccc(Br)c3)cc2)CC1 ZINC000040089751 564426302 /nfs/dbraw/zinc/42/63/02/564426302.db2.gz PUSVVZGIZNQSIU-UHFFFAOYSA-N 1 1 388.309 3.449 40 0 GGABMO CN1CC[NH+](Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000040089745 564426373 /nfs/dbraw/zinc/42/63/73/564426373.db2.gz BEBNTDVHKUJEJK-UHFFFAOYSA-N 1 1 388.309 3.449 40 0 GGABMO COc1cccc([C@H](CNS(=O)(=O)c2ccc(F)cc2Cl)[NH+](C)C)c1 ZINC000044301531 564466209 /nfs/dbraw/zinc/46/62/09/564466209.db2.gz SQPAWWJVOQEUKH-INIZCTEOSA-N 1 1 386.876 3.069 40 0 GGABMO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(Br)c1 ZINC000047031929 564512063 /nfs/dbraw/zinc/51/20/63/564512063.db2.gz CJNYGBMKZDYGHA-HNNXBMFYSA-N 1 1 399.310 3.158 40 0 GGABMO COc1cccc([C@H](CNS(=O)(=O)c2ccc(C)cc2Cl)[NH+](C)C)c1 ZINC000048312982 564536437 /nfs/dbraw/zinc/53/64/37/564536437.db2.gz DSLWZMYKMXULBM-KRWDZBQOSA-N 1 1 382.913 3.238 40 0 GGABMO O=C(CSCc1ccc(Cl)cc1Cl)NCCC[NH+]1CCOCC1 ZINC000056967181 564655449 /nfs/dbraw/zinc/65/54/49/564655449.db2.gz BLPUIHGTMRPATF-UHFFFAOYSA-N 1 1 377.337 3.065 40 0 GGABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Cl)cc2Cl)cc1OC ZINC000072227107 564862052 /nfs/dbraw/zinc/86/20/52/564862052.db2.gz QGAUYIOHFBRJHW-SJORKVTESA-N 1 1 381.259 3.421 40 0 GGABMO Cc1ccc([C@H]([NH3+])c2nnc(-c3ccc(I)cc3)[nH]2)cc1 ZINC000095534132 564899715 /nfs/dbraw/zinc/89/97/15/564899715.db2.gz UVGXJGHTQLCDAD-AWEZNQCLSA-N 1 1 390.228 3.433 40 0 GGABMO Cc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(I)cc3)[nH]2)cc1 ZINC000095534133 564899914 /nfs/dbraw/zinc/89/99/14/564899914.db2.gz UVGXJGHTQLCDAD-CQSZACIVSA-N 1 1 390.228 3.433 40 0 GGABMO [NH3+][C@@H](c1nnc(-c2ccc(I)cc2)[nH]1)c1ccccc1 ZINC000095533437 564900467 /nfs/dbraw/zinc/90/04/67/564900467.db2.gz XLTLGNHFETWVEO-CYBMUJFWSA-N 1 1 376.201 3.124 40 0 GGABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000216459119 565896185 /nfs/dbraw/zinc/89/61/85/565896185.db2.gz GGLQYPVCXDHSSM-UHFFFAOYSA-N 1 1 375.881 3.454 40 0 GGABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218557265 565899538 /nfs/dbraw/zinc/89/95/38/565899538.db2.gz GGYIXJADWVAUAQ-FHWLQOOXSA-N 1 1 379.909 3.322 40 0 GGABMO CCOC[C@@]1([NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218658955 565901096 /nfs/dbraw/zinc/90/10/96/565901096.db2.gz FGIDHNHMDHHYER-OKZBNKHCSA-N 1 1 383.872 3.153 40 0 GGABMO Cc1ncc2c(n1)[C@@]1(CC[N@H+](Cc3cc(Br)cs3)C1)COC2 ZINC000247983478 566069643 /nfs/dbraw/zinc/06/96/43/566069643.db2.gz YJADLFGQTIPIEO-MRXNPFEDSA-N 1 1 380.311 3.283 40 0 GGABMO Cc1ncc2c(n1)[C@@]1(CC[N@@H+](Cc3cc(Br)cs3)C1)COC2 ZINC000247983478 566069649 /nfs/dbraw/zinc/06/96/49/566069649.db2.gz YJADLFGQTIPIEO-MRXNPFEDSA-N 1 1 380.311 3.283 40 0 GGABMO COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CCN(c1nnc(C)s1)CC2 ZINC000248020152 566071143 /nfs/dbraw/zinc/07/11/43/566071143.db2.gz LQICAAHRDIAYGJ-MRXNPFEDSA-N 1 1 378.567 3.273 40 0 GGABMO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000048273945 570226155 /nfs/dbraw/zinc/22/61/55/570226155.db2.gz HXXIAWBTZZORNF-IBGZPJMESA-N 1 1 390.487 3.372 40 0 GGABMO Cc1ccc(C[N@@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)s1 ZINC000585273451 570241342 /nfs/dbraw/zinc/24/13/42/570241342.db2.gz VRSMHGCXZRXOEA-IBGZPJMESA-N 1 1 394.924 3.235 40 0 GGABMO Cc1ccc(C[N@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)s1 ZINC000585273451 570241344 /nfs/dbraw/zinc/24/13/44/570241344.db2.gz VRSMHGCXZRXOEA-IBGZPJMESA-N 1 1 394.924 3.235 40 0 GGABMO Cc1ccc(O[C@H]2C[N@@H+](Cc3ccc(OCC(C)(C)O)cc3)C[C@@H]2O)cc1C ZINC000585273397 570241466 /nfs/dbraw/zinc/24/14/66/570241466.db2.gz ULOXBLZMDMOVDS-VXKWHMMOSA-N 1 1 385.504 3.077 40 0 GGABMO CC(=O)N1CCCC[C@@H]2[C@H]1CCC[N@H+]2CC1(O)CCN(c2cccc(C)c2)CC1 ZINC000585282958 570251016 /nfs/dbraw/zinc/25/10/16/570251016.db2.gz KNEODLVBOMBSKG-DHIUTWEWSA-N 1 1 399.579 3.192 40 0 GGABMO FC(F)(F)c1nc(-c2ccc([C@@H]3CCC[N@@H+](Cc4cncnc4)C3)nc2)no1 ZINC000585289462 570257275 /nfs/dbraw/zinc/25/72/75/570257275.db2.gz HBKXOPYJOHTDNI-CQSZACIVSA-N 1 1 390.369 3.320 40 0 GGABMO FC(F)(F)c1nc(-c2cccc([C@@H]3CCC[N@@H+](Cc4cncnc4)C3)n2)no1 ZINC000585289888 570257808 /nfs/dbraw/zinc/25/78/08/570257808.db2.gz MKCCEOCWARFWHR-CYBMUJFWSA-N 1 1 390.369 3.320 40 0 GGABMO CC(=O)N1CC[N@H+](C2CCCCCC2)C[C@@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585287822 570259083 /nfs/dbraw/zinc/25/90/83/570259083.db2.gz SOILNEINQPKURE-HSZRJFAPSA-N 1 1 388.552 3.300 40 0 GGABMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C)[nH]c2=O ZINC000049609482 570270638 /nfs/dbraw/zinc/27/06/38/570270638.db2.gz OTWLKDGCNROQPV-HXUWFJFHSA-N 1 1 395.459 3.205 40 0 GGABMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000006697224 570280647 /nfs/dbraw/zinc/28/06/47/570280647.db2.gz YGGKPFOFVPQMIO-BFHYXJOUSA-N 1 1 389.805 3.087 40 0 GGABMO Cc1[nH]c2ccccc2c1C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000072009072 570285524 /nfs/dbraw/zinc/28/55/24/570285524.db2.gz LHTYBKUGIDCOQP-KRWDZBQOSA-N 1 1 376.504 3.417 40 0 GGABMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000012896615 570286908 /nfs/dbraw/zinc/28/69/08/570286908.db2.gz FMZSFBOMYUSRCL-MRXNPFEDSA-N 1 1 381.476 3.373 40 0 GGABMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000021131344 570292426 /nfs/dbraw/zinc/29/24/26/570292426.db2.gz ZBXLUWGUXOPEDU-INIZCTEOSA-N 1 1 397.500 3.198 40 0 GGABMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000021131344 570292429 /nfs/dbraw/zinc/29/24/29/570292429.db2.gz ZBXLUWGUXOPEDU-INIZCTEOSA-N 1 1 397.500 3.198 40 0 GGABMO C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022025266 570302626 /nfs/dbraw/zinc/30/26/26/570302626.db2.gz VUWGUXSBQAEDCK-WMZHIEFXSA-N 1 1 377.532 3.387 40 0 GGABMO CN(C)C(=O)Sc1ccc(C[NH+]2CCC(CN3CCOCC3)CC2)cc1 ZINC000075107985 570318577 /nfs/dbraw/zinc/31/85/77/570318577.db2.gz JAFOLQNHYIDIFB-UHFFFAOYSA-N 1 1 377.554 3.005 40 0 GGABMO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(C(F)(F)F)cc2)cc1OC ZINC000072227100 570319147 /nfs/dbraw/zinc/31/91/47/570319147.db2.gz NFTSSTMAWUCGBG-DLBZAZTESA-N 1 1 380.366 3.133 40 0 GGABMO CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000012332566 570319197 /nfs/dbraw/zinc/31/91/97/570319197.db2.gz NREJLGJVWBWLNZ-OAHLLOKOSA-N 1 1 375.538 3.070 40 0 GGABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)cc2)C1 ZINC000022524531 570320129 /nfs/dbraw/zinc/32/01/29/570320129.db2.gz QJKAKZUFTJZQMX-INIZCTEOSA-N 1 1 392.503 3.361 40 0 GGABMO C[NH+]1CCN(c2nc3nccc(-c4ccc(-c5ccccc5)cc4)c3c(=O)[nH]2)CC1 ZINC000022607576 570322816 /nfs/dbraw/zinc/32/28/16/570322816.db2.gz RQEGSJDRNNBMKN-UHFFFAOYSA-N 1 1 397.482 3.404 40 0 GGABMO Cc1ccc(C(=O)N[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C(C)C)cc1 ZINC000023466408 570324470 /nfs/dbraw/zinc/32/44/70/570324470.db2.gz UALHWMJLBFVRRW-QFIPXVFZSA-N 1 1 393.531 3.094 40 0 GGABMO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCN3CCCC3)cc12 ZINC000022916071 570335252 /nfs/dbraw/zinc/33/52/52/570335252.db2.gz VBTJWGMPMINBPR-UHFFFAOYSA-N 1 1 393.535 3.197 40 0 GGABMO O=C(CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1F ZINC000023005452 570340140 /nfs/dbraw/zinc/34/01/40/570340140.db2.gz HYKVFLLDKWBAJO-UHFFFAOYSA-N 1 1 389.858 3.266 40 0 GGABMO CCc1c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cnn1-c1ccc(F)cc1 ZINC000024916058 570342467 /nfs/dbraw/zinc/34/24/67/570342467.db2.gz SQPMZVMUNZCEMH-UHFFFAOYSA-N 1 1 392.478 3.362 40 0 GGABMO CCc1c(C(=O)NCC[N@H+]2CCc3ccccc3C2)cnn1-c1ccc(F)cc1 ZINC000024916058 570342469 /nfs/dbraw/zinc/34/24/69/570342469.db2.gz SQPMZVMUNZCEMH-UHFFFAOYSA-N 1 1 392.478 3.362 40 0 GGABMO CCOc1ccc(OCC)c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022585955 570348237 /nfs/dbraw/zinc/34/82/37/570348237.db2.gz KPKNVNBWDIGONI-UHFFFAOYSA-N 1 1 397.519 3.240 40 0 GGABMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cc(F)c(F)cc1Cl ZINC000023193705 570349626 /nfs/dbraw/zinc/34/96/26/570349626.db2.gz FQFQKHKKJKUFCM-UHFFFAOYSA-N 1 1 379.838 3.170 40 0 GGABMO O=C(COc1ccc2ccccc2c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023958340 570375794 /nfs/dbraw/zinc/37/57/94/570375794.db2.gz OMTFYSVLTIQXIC-UHFFFAOYSA-N 1 1 390.483 3.367 40 0 GGABMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000022781948 570377181 /nfs/dbraw/zinc/37/71/81/570377181.db2.gz WZSVGQASAQJTHY-TZIWHRDSSA-N 1 1 393.531 3.477 40 0 GGABMO COc1ccc(C[N@H+](CCN2CCOCC2)Cc2cccnc2)cc1OC(C)C ZINC000022931470 570379314 /nfs/dbraw/zinc/37/93/14/570379314.db2.gz GARUQQVFJTUJHA-UHFFFAOYSA-N 1 1 399.535 3.212 40 0 GGABMO COc1ccc(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)cc1OC(C)C ZINC000022931470 570379316 /nfs/dbraw/zinc/37/93/16/570379316.db2.gz GARUQQVFJTUJHA-UHFFFAOYSA-N 1 1 399.535 3.212 40 0 GGABMO FC(F)(F)c1ccc(C[N@H+](CCN2CCOCC2)Cc2cccnc2)cc1 ZINC000022931394 570379514 /nfs/dbraw/zinc/37/95/14/570379514.db2.gz YXLRLTVUINATHM-UHFFFAOYSA-N 1 1 379.426 3.435 40 0 GGABMO FC(F)(F)c1ccc(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)cc1 ZINC000022931394 570379517 /nfs/dbraw/zinc/37/95/17/570379517.db2.gz YXLRLTVUINATHM-UHFFFAOYSA-N 1 1 379.426 3.435 40 0 GGABMO COc1cc(/C=C/C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc(OC)c1OC ZINC000040043404 570409522 /nfs/dbraw/zinc/40/95/22/570409522.db2.gz ADICEFSSXAUESA-VAWYXSNFSA-N 1 1 398.503 3.364 40 0 GGABMO COc1cc(C)c(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1C ZINC000223182244 570448592 /nfs/dbraw/zinc/44/85/92/570448592.db2.gz HQSRRFUVETZJKD-UHFFFAOYSA-N 1 1 385.489 3.285 40 0 GGABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccco3)cc2Cl)CC1 ZINC000005644289 570449778 /nfs/dbraw/zinc/44/97/78/570449778.db2.gz JOSUSAZDAASVBK-UHFFFAOYSA-N 1 1 392.912 3.202 40 0 GGABMO COc1ccc2c(c1OC(C)=O)C1=CC(OC(C)=O)=CC[C@]13CC[N@H+](C)[C@@H]3C2 ZINC000005712220 570452584 /nfs/dbraw/zinc/45/25/84/570452584.db2.gz DSQSOQSMHHJMSK-KNQAVFIVSA-N 1 1 383.444 3.101 40 0 GGABMO COc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000223257553 570453700 /nfs/dbraw/zinc/45/37/00/570453700.db2.gz GFQOEPGFXDRPKW-UHFFFAOYSA-N 1 1 391.880 3.321 40 0 GGABMO COC[C@H](C)NC(=O)c1c(C)n([C@H]2CCC[N@H+](C(C)C)C2)nc1C(F)(F)F ZINC000036704595 570455953 /nfs/dbraw/zinc/45/59/53/570455953.db2.gz LNZPAJRPFVUUKF-JSGCOSHPSA-N 1 1 390.450 3.020 40 0 GGABMO Fc1ccc(-c2cc3nc4c(c(NCCC[NH+]5CCOCC5)n3n2)CCC4)cc1 ZINC000035314341 570468614 /nfs/dbraw/zinc/46/86/14/570468614.db2.gz ARMKORNSRWXSNH-UHFFFAOYSA-N 1 1 395.482 3.158 40 0 GGABMO Cc1c(C)n(C[C@H](O)C[N@H+](C)Cc2ccc(OCCO)cc2)c2ccccc12 ZINC000257287323 570488804 /nfs/dbraw/zinc/48/88/04/570488804.db2.gz PPLUPUXDPZKAPG-HXUWFJFHSA-N 1 1 382.504 3.122 40 0 GGABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000030853027 570498639 /nfs/dbraw/zinc/49/86/39/570498639.db2.gz RUXCBTNCOICICH-UHFFFAOYSA-N 1 1 388.471 3.233 40 0 GGABMO Cc1c(C[N@@H+]2CCO[C@H](c3ccccc3)[C@@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000031982612 570507718 /nfs/dbraw/zinc/50/77/18/570507718.db2.gz OOGNFQMTGRZRAB-AVRDEDQJSA-N 1 1 377.488 3.446 40 0 in-man GGABMO Cc1c(C[N@@H+]2CCO[C@@H](c3ccccc3)[C@@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000031982616 570507730 /nfs/dbraw/zinc/50/77/30/570507730.db2.gz OOGNFQMTGRZRAB-PGRDOPGGSA-N 1 1 377.488 3.446 40 0 in-man GGABMO C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000032425402 570510498 /nfs/dbraw/zinc/51/04/98/570510498.db2.gz SHGJPPJVMYLSSN-MRXNPFEDSA-N 1 1 388.895 3.256 40 0 GGABMO CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224571977 570518551 /nfs/dbraw/zinc/51/85/51/570518551.db2.gz COSTUJGPCWWPHW-JOCHJYFZSA-N 1 1 382.504 3.301 40 0 GGABMO CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224575335 570518842 /nfs/dbraw/zinc/51/88/42/570518842.db2.gz KXGAYKVDDZNIHM-QFIPXVFZSA-N 1 1 382.504 3.301 40 0 GGABMO Cc1ccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000224574854 570518955 /nfs/dbraw/zinc/51/89/55/570518955.db2.gz NDUZUZYEDXBUSU-LJQANCHMSA-N 1 1 382.504 3.219 40 0 GGABMO CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224575041 570519104 /nfs/dbraw/zinc/51/91/04/570519104.db2.gz KWETWTVXQGFNLW-HXUWFJFHSA-N 1 1 398.503 3.001 40 0 GGABMO Cc1ccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000224574736 570519123 /nfs/dbraw/zinc/51/91/23/570519123.db2.gz IKJDEAGPASKYHN-LJQANCHMSA-N 1 1 382.504 3.219 40 0 GGABMO O=C(COc1ccc2c(c1)CCCC2)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224586180 570519275 /nfs/dbraw/zinc/51/92/75/570519275.db2.gz BWZBFIURMHMIMK-UHFFFAOYSA-N 1 1 394.515 3.093 40 0 GGABMO O=C1O[C@H](C[NH+]2CCN(c3ccccc3)CC2)CN1C(=S)Nc1ccccc1 ZINC000033493230 570527209 /nfs/dbraw/zinc/52/72/09/570527209.db2.gz ALXVQWGAFUHBOD-LJQANCHMSA-N 1 1 396.516 3.026 40 0 GGABMO Cc1cc(OCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1Cl ZINC000224733079 570527898 /nfs/dbraw/zinc/52/78/98/570527898.db2.gz DNMQDHMZWRKABA-UHFFFAOYSA-N 1 1 388.895 3.176 40 0 GGABMO Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000224741647 570528749 /nfs/dbraw/zinc/52/87/49/570528749.db2.gz UOJZIDPZUZSDOQ-IBGZPJMESA-N 1 1 382.504 3.219 40 0 GGABMO Cc1cc(C)cc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000224741693 570528770 /nfs/dbraw/zinc/52/87/70/570528770.db2.gz UOJZIDPZUZSDOQ-LJQANCHMSA-N 1 1 382.504 3.219 40 0 GGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000225018064 570543762 /nfs/dbraw/zinc/54/37/62/570543762.db2.gz YPZJAFMNYKNJQE-UHFFFAOYSA-N 1 1 376.460 3.329 40 0 GGABMO C[N@@H+]1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](c2ccccc2)C1 ZINC000022840415 570557069 /nfs/dbraw/zinc/55/70/69/570557069.db2.gz OCBSYXVOLLXCRZ-LJQANCHMSA-N 1 1 387.524 3.149 40 0 GGABMO C[N@H+]1CCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](c2ccccc2)C1 ZINC000022840415 570557073 /nfs/dbraw/zinc/55/70/73/570557073.db2.gz OCBSYXVOLLXCRZ-LJQANCHMSA-N 1 1 387.524 3.149 40 0 GGABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4ccncc4)no3)C2)cc1F ZINC000062022924 570557111 /nfs/dbraw/zinc/55/71/11/570557111.db2.gz JEJVSTAFYHHQMD-MRXNPFEDSA-N 1 1 395.438 3.430 40 0 GGABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4ccncc4)no3)C2)cc1F ZINC000062022924 570557114 /nfs/dbraw/zinc/55/71/14/570557114.db2.gz JEJVSTAFYHHQMD-MRXNPFEDSA-N 1 1 395.438 3.430 40 0 GGABMO Cc1nn(-c2ccccc2)nc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000022869853 570558319 /nfs/dbraw/zinc/55/83/19/570558319.db2.gz NSIUFFDGUCSMOS-SFHVURJKSA-N 1 1 383.883 3.262 40 0 GGABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2)C1 ZINC000225263936 570560203 /nfs/dbraw/zinc/56/02/03/570560203.db2.gz XINZYEQLHNRKMD-FXAWDEMLSA-N 1 1 380.488 3.488 40 0 GGABMO CCOC(=O)N1CC[NH+](C[C@H]2C(=O)O[C@H]3C[C@@]4(C)CCC[C@@H](C)C4=C[C@H]23)CC1 ZINC000036503910 570565175 /nfs/dbraw/zinc/56/51/75/570565175.db2.gz NGNDKPBQSHRIRV-SJTVKCHBSA-N 1 1 390.524 3.075 40 0 GGABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2NC(=O)C(C)C)cc1OC ZINC000036743728 570569978 /nfs/dbraw/zinc/56/99/78/570569978.db2.gz PEYNZLKJXLDTDY-UXHICEINSA-N 1 1 382.504 3.444 40 0 GGABMO COC(=O)Nc1nc2ccc(Sc3ccc(NC(=O)[C@H](C)[NH3+])cc3)cc2[nH]1 ZINC000011726215 570581091 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385.895 3.219 40 0 GGABMO COc1ccc(CCC(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1OC ZINC000044846229 570635192 /nfs/dbraw/zinc/63/51/92/570635192.db2.gz SXVQPBYMTBQVIT-UHFFFAOYSA-N 1 1 379.460 3.447 40 0 GGABMO COc1ccc(SCC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000044846245 570635293 /nfs/dbraw/zinc/63/52/93/570635293.db2.gz OZRMSZNAJSSIJM-IYBDPMFKSA-N 1 1 380.554 3.280 40 0 GGABMO CCOc1ccccc1NC(=O)C[NH+]1CCC(n2nnc3cc(F)ccc32)CC1 ZINC000004895563 570636887 /nfs/dbraw/zinc/63/68/87/570636887.db2.gz AZILPCPZJDSKKY-UHFFFAOYSA-N 1 1 397.454 3.245 40 0 GGABMO O=C(c1cc2cccc(Cl)c2oc1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000226040328 570639560 /nfs/dbraw/zinc/63/95/60/570639560.db2.gz REPBWPZGGGHOCG-UHFFFAOYSA-N 1 1 382.847 3.404 40 0 GGABMO COc1cc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)cc(OC)c1OC ZINC000004866541 570641214 /nfs/dbraw/zinc/64/12/14/570641214.db2.gz RZQFFVUCOQHHBQ-MJGOQNOKSA-N 1 1 396.487 3.469 40 0 GGABMO CCOc1cc2c(cc1C[NH+]1CCC(O)(c3ccccc3OC)CC1)OCO2 ZINC000012328340 570643651 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C[C@@H]1Cc2cc(C(=O)C[N@H+]3CC[C@@H]4CCCC[C@@H]4C3)ccc2N1S(C)(=O)=O ZINC000012326823 570805735 /nfs/dbraw/zinc/80/57/35/570805735.db2.gz QZLWDXXRMHANNG-SOLBZPMBSA-N 1 1 390.549 3.092 40 0 GGABMO CC[C@@H](Oc1ccccc1C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000176042082 570809457 /nfs/dbraw/zinc/80/94/57/570809457.db2.gz GCULQBNVLZLYGR-OAQYLSRUSA-N 1 1 382.504 3.301 40 0 GGABMO Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012833834 570816112 /nfs/dbraw/zinc/81/61/12/570816112.db2.gz KAZMLEVQJBJWJG-BEFAXECRSA-N 1 1 394.523 3.399 40 0 GGABMO Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012833834 570816117 /nfs/dbraw/zinc/81/61/17/570816117.db2.gz KAZMLEVQJBJWJG-BEFAXECRSA-N 1 1 394.523 3.399 40 0 GGABMO O=C(Nc1cccc2nsnc21)C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000044443480 570880024 /nfs/dbraw/zinc/88/00/24/570880024.db2.gz BBLMUXVGTHHQQG-UHFFFAOYSA-N 1 1 392.488 3.418 40 0 GGABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccnn1[C@H]1CCCCO1)Cc1cccnc1 ZINC000257219713 570890064 /nfs/dbraw/zinc/89/00/64/570890064.db2.gz DHVVKSGVYXWJFQ-RBBKRZOGSA-N 1 1 383.540 3.464 40 0 GGABMO C[C@@H](CC[N@H+]1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000257279127 570900496 /nfs/dbraw/zinc/90/04/96/570900496.db2.gz OFDBNDGNKASTIQ-RCCFBDPRSA-N 1 1 396.535 3.348 40 0 GGABMO CCn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3csc(C)n3)CC2)cn1 ZINC000585100035 570924036 /nfs/dbraw/zinc/92/40/36/570924036.db2.gz CURYGWKJRZTQOL-HXUWFJFHSA-N 1 1 387.553 3.215 40 0 GGABMO O=C(C1CC(O)C1)N1CCC[C@@]2(CCC[N@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100423 570924482 /nfs/dbraw/zinc/92/44/82/570924482.db2.gz VBZNYUWBYQDTMA-ZYKWQNGHSA-N 1 1 378.463 3.083 40 0 GGABMO CN(C)C(=O)C[N@H+]1CCC[C@]12CCCN(C(=O)c1ccc(Cl)c(F)c1)CC2 ZINC000585100626 570924781 /nfs/dbraw/zinc/92/47/81/570924781.db2.gz QPJFCFHPDCCDER-FQEVSTJZSA-N 1 1 395.906 3.028 40 0 GGABMO O=C(C1CC(O)C1)N1CCC[C@]2(CCC[N@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100422 570924867 /nfs/dbraw/zinc/92/48/67/570924867.db2.gz VBZNYUWBYQDTMA-RVAKQSJFSA-N 1 1 378.463 3.083 40 0 GGABMO Cc1nc(C)c(C[N@H+]2CCC[C@]3(CCC(=O)N3C[C@H]3CCCO3)CC2)s1 ZINC000585099869 570926327 /nfs/dbraw/zinc/92/63/27/570926327.db2.gz NADIZGMIJNNFFP-XLIONFOSSA-N 1 1 377.554 3.286 40 0 GGABMO CCC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000019498693 570926344 /nfs/dbraw/zinc/92/63/44/570926344.db2.gz LENTYHMJCAZNKO-IXDOHACOSA-N 1 1 384.524 3.288 40 0 GGABMO Cc1c(C[N@H+]2CCC[C@]3(CCC(=O)N3C[C@@H]3CCCO3)CC2)nc2ccccn12 ZINC000585099848 570926373 /nfs/dbraw/zinc/92/63/73/570926373.db2.gz IMJAENNKHWJFGO-CVDCTZTESA-N 1 1 396.535 3.169 40 0 GGABMO CCC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000019498694 570926414 /nfs/dbraw/zinc/92/64/14/570926414.db2.gz LENTYHMJCAZNKO-BBWFWOEESA-N 1 1 384.524 3.288 40 0 GGABMO Cc1c(C[N@H+]2CCC[C@@]3(CCC(=O)N3C[C@@H]3CCCO3)CC2)nc2ccccn12 ZINC000585099849 570926442 /nfs/dbraw/zinc/92/64/42/570926442.db2.gz IMJAENNKHWJFGO-WMZHIEFXSA-N 1 1 396.535 3.169 40 0 GGABMO O=C(C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ccc3ccccc3c1)C2)N1CCCC1 ZINC000585101723 570927240 /nfs/dbraw/zinc/92/72/40/570927240.db2.gz BOFFBAKMAYTKSU-XMMPIXPASA-N 1 1 391.515 3.143 40 0 GGABMO O=C(C[N@H+]1CC[C@@]12CCCN(C(=O)c1ccc3ccccc3c1)C2)N1CCCC1 ZINC000585101723 570927242 /nfs/dbraw/zinc/92/72/42/570927242.db2.gz BOFFBAKMAYTKSU-XMMPIXPASA-N 1 1 391.515 3.143 40 0 GGABMO Cc1ncc(C[N@@H+]2CC[C@]23CCCN(C(=O)c2nnsc2C2CC2)C3)s1 ZINC000585102074 570927942 /nfs/dbraw/zinc/92/79/42/570927942.db2.gz QHENPZZIMCSPTC-SFHVURJKSA-N 1 1 389.550 3.061 40 0 GGABMO Cc1ncc(C[N@H+]2CC[C@]23CCCN(C(=O)c2nnsc2C2CC2)C3)s1 ZINC000585102074 570927945 /nfs/dbraw/zinc/92/79/45/570927945.db2.gz QHENPZZIMCSPTC-SFHVURJKSA-N 1 1 389.550 3.061 40 0 GGABMO Cc1ccccc1OCC(=O)N1CCC[C@@]12CCC[N@@H+](C[C@@H]1CCCO1)CC2 ZINC000585100787 570928139 /nfs/dbraw/zinc/92/81/39/570928139.db2.gz WPNLMIJJGCJYLI-NZQKXSOJSA-N 1 1 386.536 3.400 40 0 GGABMO Cc1ccccc1OCC(=O)N1CCC[C@]12CCC[N@@H+](C[C@H]1CCCO1)CC2 ZINC000585100788 570928192 /nfs/dbraw/zinc/92/81/92/570928192.db2.gz WPNLMIJJGCJYLI-OFNKIYASSA-N 1 1 386.536 3.400 40 0 GGABMO O=C1C[C@@]2(CN1Cc1ccccc1)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000585103887 570929689 /nfs/dbraw/zinc/92/96/89/570929689.db2.gz GMWVUDFXFMUPOM-JOCHJYFZSA-N 1 1 386.442 3.216 40 0 GGABMO O=C1C[C@@]2(CN1Cc1ccccc1)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000585103887 570929690 /nfs/dbraw/zinc/92/96/90/570929690.db2.gz GMWVUDFXFMUPOM-JOCHJYFZSA-N 1 1 386.442 3.216 40 0 GGABMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 ZINC000585104058 570930104 /nfs/dbraw/zinc/93/01/04/570930104.db2.gz IGLVYDQRMDYHME-VGOFRKELSA-N 1 1 383.492 3.104 40 0 GGABMO Cc1nc(C)c(C[N@H+]2CCOC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)s1 ZINC000585104178 570930191 /nfs/dbraw/zinc/93/01/91/570930191.db2.gz KCIJPMPDSSPPTJ-FQEVSTJZSA-N 1 1 389.496 3.155 40 0 GGABMO COc1cccc2cc(C(=O)N3CCC[C@]4(CC[N@H+]4C[C@@H]4CCCO4)C3)oc21 ZINC000585102340 570930661 /nfs/dbraw/zinc/93/06/61/570930661.db2.gz XJPRYEQKSNXINP-JTSKRJEESA-N 1 1 384.476 3.301 40 0 GGABMO Cc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3CCNC(=O)C2CC(F)(F)C2)cc1 ZINC000585102634 570931114 /nfs/dbraw/zinc/93/11/14/570931114.db2.gz CWVRURFYKYIQHI-SFHVURJKSA-N 1 1 378.463 3.138 40 0 GGABMO COc1ccc(C[N@H+]2CCOC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)cc1 ZINC000585104504 570933136 /nfs/dbraw/zinc/93/31/36/570933136.db2.gz OOLNRJNBYRPECI-JOCHJYFZSA-N 1 1 384.451 3.090 40 0 GGABMO Cc1noc(C)c1CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(C)ccc1C)C2 ZINC000585104745 570933717 /nfs/dbraw/zinc/93/37/17/570933717.db2.gz SUOCSQCDOHXRGQ-HSZRJFAPSA-N 1 1 397.519 3.159 40 0 GGABMO COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000047032280 570938636 /nfs/dbraw/zinc/93/86/36/570938636.db2.gz QBJLODHFTIXVRX-GOSISDBHSA-N 1 1 396.459 3.089 40 0 GGABMO Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](C[N@@H+]2C[C@H](C)c2ccccc2)C1 ZINC000585108005 570939708 /nfs/dbraw/zinc/93/97/08/570939708.db2.gz UOUVFJZECRNRSD-CEWLAPEOSA-N 1 1 384.545 3.494 40 0 GGABMO Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](C[N@@H+]2C[C@@H](C)c2ccccc2)C1 ZINC000585108006 570939835 /nfs/dbraw/zinc/93/98/35/570939835.db2.gz UOUVFJZECRNRSD-HLAWJBBLSA-N 1 1 384.545 3.494 40 0 GGABMO O=C(N1CCO[C@@H](c2[nH+]cn3cc(-c4cccnc4)ccc23)C1)C1(F)CCC1 ZINC000585113140 570943762 /nfs/dbraw/zinc/94/37/62/570943762.db2.gz KEWWRQYMXKITHD-GOSISDBHSA-N 1 1 380.423 3.188 40 0 GGABMO O=C(C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000002108687 570949493 /nfs/dbraw/zinc/94/94/93/570949493.db2.gz FYKZVYWHLWIVGK-QWHCGFSZSA-N 1 1 392.286 3.213 40 0 biogenic GGABMO O=C(C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000002108687 570949495 /nfs/dbraw/zinc/94/94/95/570949495.db2.gz FYKZVYWHLWIVGK-QWHCGFSZSA-N 1 1 392.286 3.213 40 0 biogenic GGABMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC(=O)c3ccccc3F)cc2)C1 ZINC000047283483 570950907 /nfs/dbraw/zinc/95/09/07/570950907.db2.gz MBZFRVUGAQQXOO-MRXNPFEDSA-N 1 1 383.467 3.426 40 0 GGABMO C[C@@H](NCc1ccccc1C[NH+]1CCOCC1)c1nnc(-c2ccccc2)o1 ZINC000025697057 570951286 /nfs/dbraw/zinc/95/12/86/570951286.db2.gz FFZRVYORVYQARI-QGZVFWFLSA-N 1 1 378.476 3.420 40 0 GGABMO O=S(=O)(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000045296212 570989757 /nfs/dbraw/zinc/98/97/57/570989757.db2.gz PORCMJRDAYKEMV-OAHLLOKOSA-N 1 1 384.423 3.258 40 0 GGABMO O=S(=O)(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000045296210 570989873 /nfs/dbraw/zinc/98/98/73/570989873.db2.gz PORCMJRDAYKEMV-HNNXBMFYSA-N 1 1 384.423 3.258 40 0 GGABMO COc1ccccc1NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000027349416 570997049 /nfs/dbraw/zinc/99/70/49/570997049.db2.gz ONKWHAGSPBDQOW-HXUWFJFHSA-N 1 1 382.508 3.196 40 0 GGABMO COc1ccccc1NC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000027349416 570997054 /nfs/dbraw/zinc/99/70/54/570997054.db2.gz ONKWHAGSPBDQOW-HXUWFJFHSA-N 1 1 382.508 3.196 40 0 GGABMO COc1ccccc1NC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000027349416 570997057 /nfs/dbraw/zinc/99/70/57/570997057.db2.gz ONKWHAGSPBDQOW-HXUWFJFHSA-N 1 1 382.508 3.196 40 0 GGABMO c1csc([C@H](CNC2CC[NH+](Cc3ccccc3)CC2)N2CCOCC2)c1 ZINC000023257797 570997727 /nfs/dbraw/zinc/99/77/27/570997727.db2.gz INYHDSLJLLDDHF-NRFANRHFSA-N 1 1 385.577 3.376 40 0 GGABMO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000585177397 570999523 /nfs/dbraw/zinc/99/95/23/570999523.db2.gz XGPMXEUQNQJJQV-LJQANCHMSA-N 1 1 388.475 3.250 40 0 GGABMO Cc1nc2c(C)cccn2c1C(=O)N[C@H](CC[NH+]1CCOCC1)c1ccccc1 ZINC000019716777 571038646 /nfs/dbraw/zinc/03/86/46/571038646.db2.gz CFOCZSGPFNJSIF-HXUWFJFHSA-N 1 1 392.503 3.145 40 0 GGABMO Cc1[nH+]ccn1Cc1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1 ZINC000019717331 571039404 /nfs/dbraw/zinc/03/94/04/571039404.db2.gz JMMICSRNMZICMZ-UHFFFAOYSA-N 1 1 376.460 3.329 40 0 GGABMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@@H]32)C1 ZINC000004043953 1398377677 /nfs/dbraw/zinc/37/76/77/1398377677.db2.gz COBANFXUQLODDA-DKAJDXDZSA-N 1 1 387.520 3.496 40 0 biogenic GGABMO N#Cc1cccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@@H+](Cc3ccccn3)C2)c1 ZINC000005396848 1398441122 /nfs/dbraw/zinc/44/11/22/1398441122.db2.gz XXMGOBWADWDNHP-AZUAARDMSA-N 1 1 382.467 3.401 40 0 biogenic,in-vitro GGABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)CC1 ZINC000006953569 1398576593 /nfs/dbraw/zinc/57/65/93/1398576593.db2.gz QRYBMWYJKXDBBB-UHFFFAOYSA-N 1 1 397.544 3.326 40 0 GGABMO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc12 ZINC000008073995 1398800255 /nfs/dbraw/zinc/80/02/55/1398800255.db2.gz TUMLIDCVFVGMNB-GOSISDBHSA-N 1 1 377.444 3.111 40 0 GGABMO CCc1ccccc1NC(=O)COc1ccc(C(=S)N2CC[NH+](C)CC2)cc1 ZINC000008088351 1398802467 /nfs/dbraw/zinc/80/24/67/1398802467.db2.gz ZQFPEHNWSXIMBB-UHFFFAOYSA-N 1 1 397.544 3.189 40 0 GGABMO Cc1csc2nc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)cc(=O)n12 ZINC000008327708 1398823760 /nfs/dbraw/zinc/82/37/60/1398823760.db2.gz HAMIGHBSWAEHKK-INIZCTEOSA-N 1 1 383.473 3.173 40 0 GGABMO Cc1csc2nc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)cc(=O)n12 ZINC000008327708 1398823762 /nfs/dbraw/zinc/82/37/62/1398823762.db2.gz HAMIGHBSWAEHKK-INIZCTEOSA-N 1 1 383.473 3.173 40 0 GGABMO NS(=O)(=O)c1ccc(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000008394609 1398828643 /nfs/dbraw/zinc/82/86/43/1398828643.db2.gz QNOXMNFOAKIJQB-UHFFFAOYSA-N 1 1 388.439 3.491 40 0 GGABMO COc1ncc([C@]2(O)CCC[C@H]3C[N@@H+](Cc4ccc(C)c(C)c4)C[C@@H]32)c(OC)n1 ZINC000019213921 1399328390 /nfs/dbraw/zinc/32/83/90/1399328390.db2.gz JKNLEMGEANHSQG-GREBRCKQSA-N 1 1 397.519 3.230 40 0 GGABMO CC(=O)N1Cc2ccccc2O[C@@H]([C@@H]2CCC[N@@H+](Cc3ccncc3C)C2)C1 ZINC000019239510 1399328716 /nfs/dbraw/zinc/32/87/16/1399328716.db2.gz JSTZTLMGBSLWOX-NFBKMPQASA-N 1 1 379.504 3.412 40 0 GGABMO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)CC(C)C)n1 ZINC000019700843 1399334655 /nfs/dbraw/zinc/33/46/55/1399334655.db2.gz YFIHHURXKBJGPQ-SFHVURJKSA-N 1 1 381.524 3.122 40 0 GGABMO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)CC(C)C)n1 ZINC000019700843 1399334659 /nfs/dbraw/zinc/33/46/59/1399334659.db2.gz YFIHHURXKBJGPQ-SFHVURJKSA-N 1 1 381.524 3.122 40 0 GGABMO Cc1nnc2n1C[C@@H](c1cccc(NC(=O)Cn3cc[nH+]c3C(C)C)c1)CC2 ZINC000019699107 1399334818 /nfs/dbraw/zinc/33/48/18/1399334818.db2.gz GILQYHJHLYKWRL-KRWDZBQOSA-N 1 1 378.480 3.275 40 0 GGABMO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)C2CCCC2)n1 ZINC000019698703 1399334897 /nfs/dbraw/zinc/33/48/97/1399334897.db2.gz MIUYBWPSCFUXNQ-SFHVURJKSA-N 1 1 393.535 3.409 40 0 GGABMO CN(C)c1ncccc1C[N@H+]1CC[C@@H](c2cc(COc3ccccc3)[nH]n2)C1 ZINC000019704289 1399335328 /nfs/dbraw/zinc/33/53/28/1399335328.db2.gz ILARHSQAHZLPPI-QGZVFWFLSA-N 1 1 377.492 3.439 40 0 GGABMO CN(C)c1ncccc1C[N@@H+]1CC[C@@H](c2cc(COc3ccccc3)n[nH]2)C1 ZINC000019704289 1399335330 /nfs/dbraw/zinc/33/53/30/1399335330.db2.gz ILARHSQAHZLPPI-QGZVFWFLSA-N 1 1 377.492 3.439 40 0 GGABMO CN(C)c1ncccc1C[N@H+]1CC[C@@H](c2cc(COc3ccccc3)n[nH]2)C1 ZINC000019704289 1399335337 /nfs/dbraw/zinc/33/53/37/1399335337.db2.gz ILARHSQAHZLPPI-QGZVFWFLSA-N 1 1 377.492 3.439 40 0 GGABMO CN(C)C(=O)c1cc([C@@H]2CC[N@@H+](Cc3ccc(OC4CCCC4)cc3)C2)n[nH]1 ZINC000019707669 1399335631 /nfs/dbraw/zinc/33/56/31/1399335631.db2.gz CWCWTMZXJWANPI-QGZVFWFLSA-N 1 1 382.508 3.422 40 0 GGABMO CN(C)C(=O)c1cc([C@@H]2CC[N@H+](Cc3ccc(OC4CCCC4)cc3)C2)[nH]n1 ZINC000019707669 1399335634 /nfs/dbraw/zinc/33/56/34/1399335634.db2.gz CWCWTMZXJWANPI-QGZVFWFLSA-N 1 1 382.508 3.422 40 0 GGABMO CN(C)C(=O)c1cc([C@@H]2CC[N@@H+](Cc3ccc(OC4CCCC4)cc3)C2)[nH]n1 ZINC000019707669 1399335640 /nfs/dbraw/zinc/33/56/40/1399335640.db2.gz CWCWTMZXJWANPI-QGZVFWFLSA-N 1 1 382.508 3.422 40 0 GGABMO CCn1cc(C[N@H+]2[C@H](Cc3ccc(OC)cc3)C[C@@H]3NC(=O)CCCC[C@H]32)cn1 ZINC000019712113 1399336080 /nfs/dbraw/zinc/33/60/80/1399336080.db2.gz QVPDIBIOONPQFL-BAGYTPMASA-N 1 1 396.535 3.156 40 0 GGABMO Cc1nc(NC(=O)CCC(=O)N2CC[C@@]3(C)[C@@H]2CCCCC[N@@H+]3C)sc1C ZINC000019711710 1399336351 /nfs/dbraw/zinc/33/63/51/1399336351.db2.gz QPZMJKDWFUHLIQ-JXFKEZNVSA-N 1 1 392.569 3.344 40 0 GGABMO CC[N@@H+](C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)c3ccnn3C)CC2)C1 ZINC000019712786 1399336561 /nfs/dbraw/zinc/33/65/61/1399336561.db2.gz YBOYUVONYFVPBL-FPOVZHCZSA-N 1 1 396.535 3.267 40 0 GGABMO CN(C)c1ncc(C[N@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2)cn1 ZINC000019713193 1399336567 /nfs/dbraw/zinc/33/65/67/1399336567.db2.gz SGVUYORAGOIJIA-RTWAWAEBSA-N 1 1 393.535 3.088 40 0 GGABMO CC[N@@H+](C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)c3cnn(C)c3)CC2)C1 ZINC000019712778 1399336635 /nfs/dbraw/zinc/33/66/35/1399336635.db2.gz VKILRKZSSXGRCN-SFTDATJTSA-N 1 1 396.535 3.267 40 0 GGABMO NC(=O)c1cc([C@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759619 1399338061 /nfs/dbraw/zinc/33/80/61/1399338061.db2.gz LQSWZFCCNXFTBU-HSZRJFAPSA-N 1 1 398.466 3.455 40 0 GGABMO NC(=O)c1cc([C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759619 1399338068 /nfs/dbraw/zinc/33/80/68/1399338068.db2.gz LQSWZFCCNXFTBU-HSZRJFAPSA-N 1 1 398.466 3.455 40 0 GGABMO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)cc1 ZINC000026772233 1399932070 /nfs/dbraw/zinc/93/20/70/1399932070.db2.gz LHMSIOPVCHUMCJ-ACIOBRDBSA-N 1 1 386.536 3.376 40 0 biogenic GGABMO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000028725765 1400189612 /nfs/dbraw/zinc/18/96/12/1400189612.db2.gz YVNXJYHNFPDZSM-HXUWFJFHSA-N 1 1 384.476 3.166 40 0 GGABMO COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000028725765 1400189613 /nfs/dbraw/zinc/18/96/13/1400189613.db2.gz YVNXJYHNFPDZSM-HXUWFJFHSA-N 1 1 384.476 3.166 40 0 GGABMO C[N@H+](CCOc1ccc(F)cc1)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000029120814 1400244963 /nfs/dbraw/zinc/24/49/63/1400244963.db2.gz BAKHTYDNVBUDSQ-UHFFFAOYSA-N 1 1 382.382 3.054 40 0 GGABMO C[N@@H+](CCOc1ccc(F)cc1)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000029120814 1400244971 /nfs/dbraw/zinc/24/49/71/1400244971.db2.gz BAKHTYDNVBUDSQ-UHFFFAOYSA-N 1 1 382.382 3.054 40 0 GGABMO CCOC(=O)C1=C(C[N@@H+](C)C2CCCCCC2)NC(=O)N[C@H]1c1ccco1 ZINC000029146766 1400248605 /nfs/dbraw/zinc/24/86/05/1400248605.db2.gz HQHQVYGVBUWJSO-SFHVURJKSA-N 1 1 375.469 3.105 40 0 GGABMO O[C@@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000029630665 1400325986 /nfs/dbraw/zinc/32/59/86/1400325986.db2.gz UZZHWPINYOTGTA-XXBNENTESA-N 1 1 384.495 3.403 40 0 GGABMO O[C@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000029630667 1400326023 /nfs/dbraw/zinc/32/60/23/1400326023.db2.gz UZZHWPINYOTGTA-CVDCTZTESA-N 1 1 384.495 3.403 40 0 GGABMO CC(=O)N1CCC(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000048885175 1405316331 /nfs/dbraw/zinc/31/63/31/1405316331.db2.gz ITRHEOCVIPEAQX-HDICACEKSA-N 1 1 385.552 3.039 40 0 GGABMO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+]1CCCC[C@@H]1C ZINC000057585409 1407658983 /nfs/dbraw/zinc/65/89/83/1407658983.db2.gz JGXHHZBWMJLKSE-HNNXBMFYSA-N 1 1 378.542 3.071 40 0 GGABMO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CCCC[C@@H]1C ZINC000057585409 1407658987 /nfs/dbraw/zinc/65/89/87/1407658987.db2.gz JGXHHZBWMJLKSE-HNNXBMFYSA-N 1 1 378.542 3.071 40 0 GGABMO CC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000058148767 1407789824 /nfs/dbraw/zinc/78/98/24/1407789824.db2.gz ODMJVLOBMFMLRT-UHFFFAOYSA-N 1 1 378.451 3.456 40 0 GGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2ccc(OCC3CC3)nc2)C1 ZINC000058159837 1407791701 /nfs/dbraw/zinc/79/17/01/1407791701.db2.gz OPSWPXXOWNUETB-HDICACEKSA-N 1 1 388.556 3.428 40 0 GGABMO O=C(NC1CCN(CC(F)F)CC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000058182211 1407794211 /nfs/dbraw/zinc/79/42/11/1407794211.db2.gz TYUBWFFFWABFNB-UHFFFAOYSA-N 1 1 386.531 3.014 40 0 GGABMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Cc3c[nH]c4ccccc34)c2)CCO1 ZINC000058440467 1407828078 /nfs/dbraw/zinc/82/80/78/1407828078.db2.gz NYBBTFNNCINDBC-KRWDZBQOSA-N 1 1 377.488 3.248 40 0 GGABMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Cc3c[nH]c4ccccc34)c2)CCO1 ZINC000058440467 1407828079 /nfs/dbraw/zinc/82/80/79/1407828079.db2.gz NYBBTFNNCINDBC-KRWDZBQOSA-N 1 1 377.488 3.248 40 0 GGABMO CCOc1ccc(-c2nnc([C@H]([NH3+])c3ccc(OC)c(OC)c3)[nH]2)cc1OCC ZINC000095533916 1410315265 /nfs/dbraw/zinc/31/52/65/1410315265.db2.gz SWDDJAMHHYEZRU-LJQANCHMSA-N 1 1 398.463 3.334 40 0 GGABMO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccc(OC)c(OC)c3)[nH]2)cc1OCC ZINC000095534578 1410315427 /nfs/dbraw/zinc/31/54/27/1410315427.db2.gz LOSQJMGFLGOYHS-IBGZPJMESA-N 1 1 398.463 3.334 40 0 GGABMO CC(C)N1C[C@@H](C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC000195529230 1433338674 /nfs/dbraw/zinc/33/86/74/1433338674.db2.gz LQQCHJBBTHUPFP-UEXGIBASSA-N 1 1 385.552 3.038 40 0 GGABMO CCOC[C@@]1([NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218125055 1433364816 /nfs/dbraw/zinc/36/48/16/1433364816.db2.gz VCSUKTCYPJFIGQ-CEXWTWQISA-N 1 1 395.908 3.022 40 0 GGABMO CCOC[C@]1([NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218125140 1433364920 /nfs/dbraw/zinc/36/49/20/1433364920.db2.gz VCSUKTCYPJFIGQ-QYZOEREBSA-N 1 1 395.908 3.022 40 0 GGABMO O=C(c1ccccn1)N1CCC([N@H+]2CCC[C@@H]2COCc2ccccc2)CC1 ZINC000225630488 1433367515 /nfs/dbraw/zinc/36/75/15/1433367515.db2.gz GYTPQQBWFIIUCP-OAQYLSRUSA-N 1 1 379.504 3.367 40 0 GGABMO O=C1CN(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C(=O)N1c1ccccc1 ZINC000225822038 1433368382 /nfs/dbraw/zinc/36/83/82/1433368382.db2.gz QSKBQVJHGLODOX-UHFFFAOYSA-N 1 1 385.414 3.398 40 0 GGABMO COc1cccc(N2CC[NH+](C3CCN(CCOc4ccccc4)CC3)CC2)c1 ZINC000245093476 1433453408 /nfs/dbraw/zinc/45/34/08/1433453408.db2.gz RPGOWKWFFVRKST-UHFFFAOYSA-N 1 1 395.547 3.361 40 0 GGABMO C[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CC(C)(C)Cc3nc(-c4cccnc4)ncc32)C1 ZINC000247924479 1433756690 /nfs/dbraw/zinc/75/66/90/1433756690.db2.gz OUYPEXKSSSIRQA-APWZRJJASA-N 1 1 393.535 3.400 40 0 GGABMO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+]([C@H](C)Cc2ccc(F)cc2)C3)C1 ZINC000247929328 1433757144 /nfs/dbraw/zinc/75/71/44/1433757144.db2.gz JDSKFGJXMXGYBR-APWZRJJASA-N 1 1 396.510 3.331 40 0 GGABMO C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(Cc2ccccn2)CC1 ZINC000248126704 1433771797 /nfs/dbraw/zinc/77/17/97/1433771797.db2.gz LYNQTSDWKQEHQI-GCJKJVERSA-N 1 1 396.510 3.392 40 0 GGABMO C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(Cc2ccccn2)CC1 ZINC000248126704 1433771806 /nfs/dbraw/zinc/77/18/06/1433771806.db2.gz LYNQTSDWKQEHQI-GCJKJVERSA-N 1 1 396.510 3.392 40 0 GGABMO C[N@@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(Cc2ccccn2)CC1 ZINC000248126701 1433771903 /nfs/dbraw/zinc/77/19/03/1433771903.db2.gz LYNQTSDWKQEHQI-AVRDEDQJSA-N 1 1 396.510 3.392 40 0 GGABMO C[N@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(Cc2ccccn2)CC1 ZINC000248126701 1433771909 /nfs/dbraw/zinc/77/19/09/1433771909.db2.gz LYNQTSDWKQEHQI-AVRDEDQJSA-N 1 1 396.510 3.392 40 0 GGABMO C[N@@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(Cc2ccccn2)CC1 ZINC000248148598 1433774652 /nfs/dbraw/zinc/77/46/52/1433774652.db2.gz SOHGOSRBINNGGA-AVRDEDQJSA-N 1 1 396.510 3.392 40 0 GGABMO C[N@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(Cc2ccccn2)CC1 ZINC000248148598 1433774657 /nfs/dbraw/zinc/77/46/57/1433774657.db2.gz SOHGOSRBINNGGA-AVRDEDQJSA-N 1 1 396.510 3.392 40 0 GGABMO C[C@@H]1Cc2cc(C(=O)C[N@H+]3CC[C@@H]4CCCC[C@H]4C3)ccc2N1S(C)(=O)=O ZINC000253594188 1433869808 /nfs/dbraw/zinc/86/98/08/1433869808.db2.gz QZLWDXXRMHANNG-RYRKJORJSA-N 1 1 390.549 3.092 40 0 GGABMO C[N@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cc(-c4ccccn4)n[nH]3)CC[C@H]21 ZINC000257344847 222779841 /nfs/dbraw/zinc/77/98/41/222779841.db2.gz ZYWHBELRGHWSLM-JBYIUTFZSA-N 1 1 387.487 3.032 40 0 GGABMO Fc1ccc(C[NH+]2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)cc1 ZINC000306127076 222794852 /nfs/dbraw/zinc/79/48/52/222794852.db2.gz FOCDEPRNELUFKE-UHFFFAOYSA-N 1 1 388.450 3.253 40 0 GGABMO Cc1ccc(C[N@@H+]2C[C@@H](c3ccnn3C)[C@]3(C2)CCCN(CC2CC2)C3=O)s1 ZINC000306141365 222802402 /nfs/dbraw/zinc/80/24/02/222802402.db2.gz VTCOIRAFQKYPJU-SIKLNZKXSA-N 1 1 398.576 3.408 40 0 GGABMO Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3ccccc32)c2c1c(C)n[nH]c2=O ZINC000009640460 212195980 /nfs/dbraw/zinc/19/59/80/212195980.db2.gz QAILFZCSLNGHPR-MRXNPFEDSA-N 1 1 380.448 3.081 40 0 GGABMO Cc1oc(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)c2c1c(C)n[nH]c2=O ZINC000009640460 212195983 /nfs/dbraw/zinc/19/59/83/212195983.db2.gz QAILFZCSLNGHPR-MRXNPFEDSA-N 1 1 380.448 3.081 40 0 GGABMO Cc1oc(NC(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)c2c1c(C)n[nH]c2=O ZINC000009640467 212195795 /nfs/dbraw/zinc/19/57/95/212195795.db2.gz QAILFZCSLNGHPR-INIZCTEOSA-N 1 1 380.448 3.081 40 0 GGABMO Cc1oc(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)c2c1c(C)n[nH]c2=O ZINC000009640467 212195799 /nfs/dbraw/zinc/19/57/99/212195799.db2.gz QAILFZCSLNGHPR-INIZCTEOSA-N 1 1 380.448 3.081 40 0 GGABMO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2C[N@H+](C3CCCCC3)CCN21 ZINC000253406799 212136008 /nfs/dbraw/zinc/13/60/08/212136008.db2.gz UYSWKXZQYLXNJN-NRFANRHFSA-N 1 1 384.568 3.309 40 0 biogenic,in-vitro GGABMO O[C@H](COc1ccccc1F)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000026780730 212108341 /nfs/dbraw/zinc/10/83/41/212108341.db2.gz LCRRERLKKIYVIM-KRWDZBQOSA-N 1 1 398.400 3.406 40 0 GGABMO O[C@@H](COc1ccccc1F)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000026780728 212108103 /nfs/dbraw/zinc/10/81/03/212108103.db2.gz LCRRERLKKIYVIM-QGZVFWFLSA-N 1 1 398.400 3.406 40 0 GGABMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)NCc1ccc(Cl)cc1 ZINC000008004182 221024244 /nfs/dbraw/zinc/02/42/44/221024244.db2.gz FPIUTLMQBOPPQJ-UHFFFAOYSA-N 1 1 385.895 3.307 40 0 GGABMO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1cccn1-c1ccc(O)cc1)CC2 ZINC000012089512 221149362 /nfs/dbraw/zinc/14/93/62/221149362.db2.gz FXSLOHBQRABTNW-UHFFFAOYSA-N 1 1 399.454 3.299 40 0 GGABMO O=C(C[N@@H+]1CCC[C@@H](c2ncncc2-c2ccncc2)C1)NCc1cccs1 ZINC000012117166 221151685 /nfs/dbraw/zinc/15/16/85/221151685.db2.gz NGHLTUUSEKUKHB-QGZVFWFLSA-N 1 1 393.516 3.096 40 0 GGABMO O=C(C[N@H+]1CCC[C@@H](c2ncncc2-c2ccncc2)C1)NCc1cccs1 ZINC000012117166 221151687 /nfs/dbraw/zinc/15/16/87/221151687.db2.gz NGHLTUUSEKUKHB-QGZVFWFLSA-N 1 1 393.516 3.096 40 0 GGABMO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc4ncccc4c2)CC3)C1 ZINC000012117875 221151989 /nfs/dbraw/zinc/15/19/89/221151989.db2.gz WJPWPAFSQLOJPK-INIZCTEOSA-N 1 1 389.503 3.113 40 0 GGABMO Cn1cc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c2cc(F)ccc21 ZINC000012122600 221156300 /nfs/dbraw/zinc/15/63/00/221156300.db2.gz UZPJPCVOYPXEAW-UHFFFAOYSA-N 1 1 389.434 3.433 40 0 GGABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@@H+](Cc3cccnc3)C1)O2 ZINC000012135326 221157175 /nfs/dbraw/zinc/15/71/75/221157175.db2.gz MKUIEHCOGPDUOQ-XXBNENTESA-N 1 1 395.503 3.112 40 0 GGABMO COc1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc(OC)c1OC ZINC000012135081 221157647 /nfs/dbraw/zinc/15/76/47/221157647.db2.gz PEONMQIKWLZDSK-NHJWOMDBSA-N 1 1 398.503 3.227 40 0 GGABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@@H+](Cc3ccccn3)C1)O2 ZINC000012135313 221157842 /nfs/dbraw/zinc/15/78/42/221157842.db2.gz OQSWNBFMCWVUAM-WZONZLPQSA-N 1 1 395.503 3.112 40 0 GGABMO COc1ccccc1C1(O)CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000012147602 221159914 /nfs/dbraw/zinc/15/99/14/221159914.db2.gz RKNXJXQLYCIMNH-UHFFFAOYSA-N 1 1 377.488 3.424 40 0 GGABMO COc1ccc2nc(C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H](C)O)ccc2c1 ZINC000012147962 221160203 /nfs/dbraw/zinc/16/02/03/221160203.db2.gz IUMBTLNHMGPDOI-OAHLLOKOSA-N 1 1 380.444 3.355 40 0 GGABMO O=C(NCC[NH+]1CCC(O)(c2cccc(F)c2)CC1)c1c(F)cccc1Cl ZINC000012326075 221182194 /nfs/dbraw/zinc/18/21/94/221182194.db2.gz RIHZBQHKLDPRJB-UHFFFAOYSA-N 1 1 394.849 3.332 40 0 GGABMO COCCNC(=O)Cn1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c2ccccc21 ZINC000012363908 221185355 /nfs/dbraw/zinc/18/53/55/221185355.db2.gz FIEHKNXLUOFSSH-HXUWFJFHSA-N 1 1 391.515 3.393 40 0 GGABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 ZINC000012182114 221162533 /nfs/dbraw/zinc/16/25/33/221162533.db2.gz SGYAEKOQSURYHA-JLJPHGGASA-N 1 1 395.429 3.487 40 0 GGABMO C[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(Oc2ncccn2)c1 ZINC000012185839 221163504 /nfs/dbraw/zinc/16/35/04/221163504.db2.gz UBMWRXGGIMOAGW-MRXNPFEDSA-N 1 1 393.443 3.381 40 0 GGABMO COc1ccc2c(c1)C=C(C[N@H+](Cc1ccc3c(c1)OCO3)C[C@@H](C)O)CO2 ZINC000012185680 221164144 /nfs/dbraw/zinc/16/41/44/221164144.db2.gz JARVVCYZZBEXPR-OAHLLOKOSA-N 1 1 383.444 3.083 40 0 GGABMO Cc1c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](C)O)cnn1Cc1ccccc1 ZINC000012185756 221164523 /nfs/dbraw/zinc/16/45/23/221164523.db2.gz YESGWKYSGFAZLI-QGZVFWFLSA-N 1 1 393.487 3.352 40 0 GGABMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)C1 ZINC000012199426 221167010 /nfs/dbraw/zinc/16/70/10/221167010.db2.gz BUOZAPDZPIOWRV-AWEZNQCLSA-N 1 1 386.462 3.017 40 0 GGABMO C[N@H+](CCC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1Br ZINC000012768927 221229632 /nfs/dbraw/zinc/22/96/32/221229632.db2.gz MINWSYNRKFSBRP-UHFFFAOYSA-N 1 1 390.281 3.348 40 0 GGABMO C[N@@H+](CCC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1Br ZINC000012768927 221229634 /nfs/dbraw/zinc/22/96/34/221229634.db2.gz MINWSYNRKFSBRP-UHFFFAOYSA-N 1 1 390.281 3.348 40 0 GGABMO Cc1ccc(CCC2CC[NH+](CC(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000012995848 221253623 /nfs/dbraw/zinc/25/36/23/221253623.db2.gz GQHZDAAJJKRMFV-UHFFFAOYSA-N 1 1 379.504 3.377 40 0 GGABMO COc1cc(OC)c(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000013547798 221272101 /nfs/dbraw/zinc/27/21/01/221272101.db2.gz OFSHNUPEXAZOOW-UHFFFAOYSA-N 1 1 386.517 3.206 40 0 GGABMO O=S(=O)(N1CCCCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013997616 221295887 /nfs/dbraw/zinc/29/58/87/221295887.db2.gz ZYTMHRPSGCNYIU-UHFFFAOYSA-N 1 1 399.560 3.124 40 0 GGABMO Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000014898548 221318891 /nfs/dbraw/zinc/31/88/91/221318891.db2.gz RIBJMEHGPDHMLN-UHFFFAOYSA-N 1 1 389.503 3.112 40 0 GGABMO COc1cccc(C2CC[NH+]([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)c1 ZINC000015084375 221332917 /nfs/dbraw/zinc/33/29/17/221332917.db2.gz DKNPJVUYQMGVSB-FQEVSTJZSA-N 1 1 382.435 3.346 40 0 GGABMO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000016396514 221362100 /nfs/dbraw/zinc/36/21/00/221362100.db2.gz PPMHJFYTFXQOQM-SFHVURJKSA-N 1 1 379.504 3.350 40 0 GGABMO Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1 ZINC000019135933 221398935 /nfs/dbraw/zinc/39/89/35/221398935.db2.gz FNCBIJOFLONZGR-MJGOQNOKSA-N 1 1 378.520 3.283 40 0 GGABMO COc1cc(C)ccc1C[N@@H+]1CCc2nc([C@@H]3CCCCN3C(C)=O)ncc2C1 ZINC000019134099 221399084 /nfs/dbraw/zinc/39/90/84/221399084.db2.gz ZRYKZFLCNHWOER-NRFANRHFSA-N 1 1 394.519 3.425 40 0 GGABMO COc1cc(C)ccc1C[N@H+]1CCc2nc([C@@H]3CCCCN3C(C)=O)ncc2C1 ZINC000019134099 221399087 /nfs/dbraw/zinc/39/90/87/221399087.db2.gz ZRYKZFLCNHWOER-NRFANRHFSA-N 1 1 394.519 3.425 40 0 GGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3CCCOc3ccccc3F)ncc2C1 ZINC000019018611 221393541 /nfs/dbraw/zinc/39/35/41/221393541.db2.gz RNJSLZZKYUYMAT-FQEVSTJZSA-N 1 1 398.482 3.126 40 0 GGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+]3CCCOc3ccccc3F)ncc2C1 ZINC000019018611 221393544 /nfs/dbraw/zinc/39/35/44/221393544.db2.gz RNJSLZZKYUYMAT-FQEVSTJZSA-N 1 1 398.482 3.126 40 0 GGABMO CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2CCn1cccn1 ZINC000019017544 221394027 /nfs/dbraw/zinc/39/40/27/221394027.db2.gz IUWWXKKGQZSCRU-BDTNDASRSA-N 1 1 384.499 3.281 40 0 GGABMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000019022529 221395585 /nfs/dbraw/zinc/39/55/85/221395585.db2.gz YGMDOKAMTHDHJX-MRXNPFEDSA-N 1 1 391.475 3.339 40 0 GGABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000019022529 221395586 /nfs/dbraw/zinc/39/55/86/221395586.db2.gz YGMDOKAMTHDHJX-MRXNPFEDSA-N 1 1 391.475 3.339 40 0 GGABMO Cc1[nH]c2ccc(F)cc2c1C(=O)CN1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000019117560 221397540 /nfs/dbraw/zinc/39/75/40/221397540.db2.gz KMRQBWOLTNVSQC-UHFFFAOYSA-N 1 1 381.455 3.027 40 0 GGABMO Cc1cc(-c2cc(=O)[nH]nc2[C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)on1 ZINC000019121177 221397670 /nfs/dbraw/zinc/39/76/70/221397670.db2.gz XVVWDIYOYREBBB-CQSZACIVSA-N 1 1 386.402 3.391 40 0 GGABMO Cc1cc2cc(C(=O)N3CCc4nc([C@H]5CCC[N@H+]5C)ncc4C3)ccc2o1 ZINC000019126409 221397733 /nfs/dbraw/zinc/39/77/33/221397733.db2.gz AHSBNQCKMNWBDB-LJQANCHMSA-N 1 1 376.460 3.496 40 0 GGABMO Cc1cc2cc(C(=O)N3CCc4nc([C@H]5CCC[N@@H+]5C)ncc4C3)ccc2o1 ZINC000019126409 221397736 /nfs/dbraw/zinc/39/77/36/221397736.db2.gz AHSBNQCKMNWBDB-LJQANCHMSA-N 1 1 376.460 3.496 40 0 GGABMO Cc1cc(-c2cc(=O)[nH]nc2[C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)on1 ZINC000019121180 221398272 /nfs/dbraw/zinc/39/82/72/221398272.db2.gz XVVWDIYOYREBBB-AWEZNQCLSA-N 1 1 386.402 3.391 40 0 GGABMO C/C(=C\c1ccccc1)C[N@H+]1CCc2c(=O)[nH]c(N3C[C@@H](C)O[C@H](C)C3)nc2C1 ZINC000072335654 533411939 /nfs/dbraw/zinc/41/19/39/533411939.db2.gz SZBKIWZCWSZTNO-NCSNTAPHSA-N 1 1 394.519 3.257 40 0 GGABMO C/C(=C\c1ccccc1)C[N@@H+]1CCc2c(=O)[nH]c(N3C[C@@H](C)O[C@H](C)C3)nc2C1 ZINC000072335654 533411941 /nfs/dbraw/zinc/41/19/41/533411941.db2.gz SZBKIWZCWSZTNO-NCSNTAPHSA-N 1 1 394.519 3.257 40 0 GGABMO COCC[NH+]1CCN(c2c(C)c(C)nc3c(-c4cccs4)c(C)nn32)CC1 ZINC000072341728 136168529 /nfs/dbraw/zinc/16/85/29/136168529.db2.gz CSFGXSSKWQZKCB-UHFFFAOYSA-N 1 1 385.537 3.151 40 0 GGABMO Cc1nc(C2=CC[N@H+](Cc3cccc(F)c3)CC2)nc(N2CCOCC2)c1C ZINC000072339538 136168590 /nfs/dbraw/zinc/16/85/90/136168590.db2.gz QJMAIFUXFABVJA-UHFFFAOYSA-N 1 1 382.483 3.358 40 0 GGABMO Cc1nc(C2=CC[N@@H+](Cc3cccc(F)c3)CC2)nc(N2CCOCC2)c1C ZINC000072339538 136168591 /nfs/dbraw/zinc/16/85/91/136168591.db2.gz QJMAIFUXFABVJA-UHFFFAOYSA-N 1 1 382.483 3.358 40 0 GGABMO CSc1ccc(C[N@H+](C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000007493893 136195309 /nfs/dbraw/zinc/19/53/09/136195309.db2.gz DLCSPRYYQXFRNJ-UHFFFAOYSA-N 1 1 385.533 3.316 40 0 GGABMO CSc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000007493893 136195310 /nfs/dbraw/zinc/19/53/10/136195310.db2.gz DLCSPRYYQXFRNJ-UHFFFAOYSA-N 1 1 385.533 3.316 40 0 GGABMO CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1C ZINC000022095581 221553650 /nfs/dbraw/zinc/55/36/50/221553650.db2.gz IYLYPPRODKSDLB-UHFFFAOYSA-N 1 1 383.492 3.075 40 0 GGABMO O[C@@H](COc1ccccc1F)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022461806 221561074 /nfs/dbraw/zinc/56/10/74/221561074.db2.gz JDGSPRSUCIRJFX-GOSISDBHSA-N 1 1 378.875 3.037 40 0 GGABMO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022925234 221576346 /nfs/dbraw/zinc/57/63/46/221576346.db2.gz MEANXMSJBUAAKA-FCHUYYIVSA-N 1 1 397.494 3.302 40 0 GGABMO CCCn1nc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c2ccccc2c1=O ZINC000040108160 221906477 /nfs/dbraw/zinc/90/64/77/221906477.db2.gz YSWTWTLTDALWAN-KRWDZBQOSA-N 1 1 384.524 3.048 40 0 GGABMO C[C@@H](C1CC1)[N@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)Cc1ccccc1 ZINC000052617931 222005720 /nfs/dbraw/zinc/00/57/20/222005720.db2.gz UBIPWCQOYXMMFF-AWEZNQCLSA-N 1 1 393.516 3.443 40 0 GGABMO C[C@@H](C1CC1)[N@@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)Cc1ccccc1 ZINC000052617931 222005723 /nfs/dbraw/zinc/00/57/23/222005723.db2.gz UBIPWCQOYXMMFF-AWEZNQCLSA-N 1 1 393.516 3.443 40 0 GGABMO COC(=O)C1=CO[C@H](C)[C@@H]2C[N@@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@@H]3C[C@H]12 ZINC000053178267 222007732 /nfs/dbraw/zinc/00/77/32/222007732.db2.gz KXEMQEGRZWUKJS-OVXHWVBHSA-N 1 1 382.460 3.187 40 0 GGABMO COC(=O)C1=CO[C@H](C)[C@@H]2C[N@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@@H]3C[C@H]12 ZINC000053178267 222007738 /nfs/dbraw/zinc/00/77/38/222007738.db2.gz KXEMQEGRZWUKJS-OVXHWVBHSA-N 1 1 382.460 3.187 40 0 GGABMO COc1ccc(C[NH2+]C2(Cc3cc(COc4ccccc4)on3)COC2)cc1 ZINC000067898138 222168028 /nfs/dbraw/zinc/16/80/28/222168028.db2.gz VJFBFEWBPSAPQU-UHFFFAOYSA-N 1 1 380.444 3.364 40 0 biogenic,in-vitro GGABMO Cn1cc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cn1 ZINC000072330422 222228691 /nfs/dbraw/zinc/22/86/91/222228691.db2.gz WPJVPLNXOSYJGA-PXNSSMCTSA-N 1 1 395.532 3.260 40 0 GGABMO COc1cc(C)c(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc1C ZINC000072339868 222230246 /nfs/dbraw/zinc/23/02/46/222230246.db2.gz JUNNGMGBVDKYTK-UHFFFAOYSA-N 1 1 376.460 3.428 40 0 GGABMO COCc1cc(N2CCCC2)nc(C2=CC[N@@H+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000072339622 222230635 /nfs/dbraw/zinc/23/06/35/222230635.db2.gz KKGDUXAPXGFXLT-OAQYLSRUSA-N 1 1 394.519 3.046 40 0 GGABMO COc1cc(C[N@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)cc(OC)c1OC ZINC000072343252 222231262 /nfs/dbraw/zinc/23/12/62/222231262.db2.gz MCQBHAOIUWUGDG-FXAWDEMLSA-N 1 1 382.460 3.256 40 0 GGABMO COc1cc(C[N@@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)cc(OC)c1OC ZINC000072343252 222231265 /nfs/dbraw/zinc/23/12/65/222231265.db2.gz MCQBHAOIUWUGDG-FXAWDEMLSA-N 1 1 382.460 3.256 40 0 GGABMO COC(=O)[C@@]1(Cc2ccc(OC)cc2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1 ZINC000072340204 222231854 /nfs/dbraw/zinc/23/18/54/222231854.db2.gz WCTCPARKUCMHKL-NHCICSSKSA-N 1 1 393.483 3.403 40 0 GGABMO COCCOc1ccc(C[N@@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cc1OC ZINC000072343290 222232655 /nfs/dbraw/zinc/23/26/55/222232655.db2.gz FSSMHCGNQLGSIG-DENIHFKCSA-N 1 1 396.487 3.264 40 0 GGABMO COCCOc1ccc(C[N@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cc1OC ZINC000072343290 222232660 /nfs/dbraw/zinc/23/26/60/222232660.db2.gz FSSMHCGNQLGSIG-DENIHFKCSA-N 1 1 396.487 3.264 40 0 GGABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072344795 222233699 /nfs/dbraw/zinc/23/36/99/222233699.db2.gz XWJQSXRCVYVHEI-HXUWFJFHSA-N 1 1 389.503 3.457 40 0 GGABMO O=C(C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(CO)c3)n2)C1)N1CCCC1 ZINC000072348775 222235240 /nfs/dbraw/zinc/23/52/40/222235240.db2.gz ORJNUFMQMFZPIS-FQEVSTJZSA-N 1 1 379.504 3.043 40 0 GGABMO COC[C@@H]1CN(C(=O)CCc2ccc(F)cc2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354542 222237245 /nfs/dbraw/zinc/23/72/45/222237245.db2.gz RATNJEMWQWGENX-QFIPXVFZSA-N 1 1 398.522 3.408 40 0 GGABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000072352425 222237401 /nfs/dbraw/zinc/23/74/01/222237401.db2.gz KEHIRRKYUHDVGR-HNNXBMFYSA-N 1 1 399.560 3.499 40 0 GGABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000072352425 222237402 /nfs/dbraw/zinc/23/74/02/222237402.db2.gz KEHIRRKYUHDVGR-HNNXBMFYSA-N 1 1 399.560 3.499 40 0 GGABMO Cc1cc(C)nc(Nc2ccc([C@H]3CCC[N@@H+](CC(=O)N4CCCC4)C3)nc2)n1 ZINC000072353269 222237408 /nfs/dbraw/zinc/23/74/08/222237408.db2.gz XVIQNKJRKWHNGU-SFHVURJKSA-N 1 1 394.523 3.034 40 0 GGABMO Cc1cc(C)nc(Nc2ccc([C@@H]3CCC[N@@H+](CC(=O)N4CCCC4)C3)nc2)n1 ZINC000072353268 222238076 /nfs/dbraw/zinc/23/80/76/222238076.db2.gz XVIQNKJRKWHNGU-GOSISDBHSA-N 1 1 394.523 3.034 40 0 GGABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000072354583 222238519 /nfs/dbraw/zinc/23/85/19/222238519.db2.gz HBSVZEDSYVPBPJ-LJQANCHMSA-N 1 1 391.450 3.301 40 0 GGABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359617 222239396 /nfs/dbraw/zinc/23/93/96/222239396.db2.gz NRWSUFGHUCTDKU-HNNXBMFYSA-N 1 1 392.425 3.430 40 0 GGABMO O=C(C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1)N1CCOCC1 ZINC000072357635 222239429 /nfs/dbraw/zinc/23/94/29/222239429.db2.gz QZDTZXZUGRVGTD-NRFANRHFSA-N 1 1 399.922 3.322 40 0 GGABMO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1)N1CCOCC1 ZINC000072357635 222239432 /nfs/dbraw/zinc/23/94/32/222239432.db2.gz QZDTZXZUGRVGTD-NRFANRHFSA-N 1 1 399.922 3.322 40 0 GGABMO O=C(COc1ccccc1)N1CC[N@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355117 222239571 /nfs/dbraw/zinc/23/95/71/222239571.db2.gz GQZUXEPXWANLJB-FQEVSTJZSA-N 1 1 393.531 3.406 40 0 GGABMO Cc1noc(C)c1CC(=O)N1CC[N@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355217 222239633 /nfs/dbraw/zinc/23/96/33/222239633.db2.gz WEGCNLCTTRSMCW-IBGZPJMESA-N 1 1 396.535 3.175 40 0 GGABMO COc1cccc(-c2nccnc2[C@H]2CCC[N@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000072359105 222239835 /nfs/dbraw/zinc/23/98/35/222239835.db2.gz HGGBIZOGTUWEQA-IBGZPJMESA-N 1 1 394.519 3.343 40 0 GGABMO Nc1cc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CCOCc3ccccc3)C2)ccn1 ZINC000072356497 222239918 /nfs/dbraw/zinc/23/99/18/222239918.db2.gz RKMIJEOSEMNRLY-IBGZPJMESA-N 1 1 377.492 3.450 40 0 GGABMO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)c1 ZINC000072359064 222239944 /nfs/dbraw/zinc/23/99/44/222239944.db2.gz DYTGFQGQCVBJDV-IBGZPJMESA-N 1 1 390.491 3.215 40 0 GGABMO COc1cccc(Oc2cncc([C@@H]3CCC[N@H+](Cc4cncn4C)C3)n2)c1 ZINC000072363166 222240456 /nfs/dbraw/zinc/24/04/56/222240456.db2.gz IVUURZPATGUUEQ-MRXNPFEDSA-N 1 1 379.464 3.391 40 0 GGABMO COc1cccc(Oc2cncc([C@@H]3CCC[N@@H+](Cc4cncn4C)C3)n2)c1 ZINC000072363166 222240462 /nfs/dbraw/zinc/24/04/62/222240462.db2.gz IVUURZPATGUUEQ-MRXNPFEDSA-N 1 1 379.464 3.391 40 0 GGABMO COc1ccccc1Oc1nccnc1C1CC[NH+](Cc2cncn2C)CC1 ZINC000072363155 222240797 /nfs/dbraw/zinc/24/07/97/222240797.db2.gz HOLBDFWRFVTQBZ-UHFFFAOYSA-N 1 1 379.464 3.391 40 0 GGABMO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)n1 ZINC000072360964 222240848 /nfs/dbraw/zinc/24/08/48/222240848.db2.gz VPSWUEXIVLOYHA-GOSISDBHSA-N 1 1 375.480 3.402 40 0 GGABMO Cc1cc(Nc2ncccc2C)nc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072360052 222241118 /nfs/dbraw/zinc/24/11/18/222241118.db2.gz XQWIIQFCFPTXJU-SFHVURJKSA-N 1 1 377.496 3.345 40 0 GGABMO NC(=O)c1ccc(Oc2nccnc2[C@H]2CCC[N@@H+](Cc3ccccn3)C2)cc1 ZINC000072361891 222241199 /nfs/dbraw/zinc/24/11/99/222241199.db2.gz GTDFDIBVGBKHOG-KRWDZBQOSA-N 1 1 389.459 3.142 40 0 GGABMO COc1cccc(Oc2nccnc2C2CC[NH+](Cc3cncn3C)CC2)c1 ZINC000072363168 222241222 /nfs/dbraw/zinc/24/12/22/222241222.db2.gz KPWDCKFEAGMSEP-UHFFFAOYSA-N 1 1 379.464 3.391 40 0 GGABMO COc1cccc(Oc2cncc([C@H]3CCC[N@H+](Cc4cncn4C)C3)n2)c1 ZINC000072363165 222241277 /nfs/dbraw/zinc/24/12/77/222241277.db2.gz IVUURZPATGUUEQ-INIZCTEOSA-N 1 1 379.464 3.391 40 0 GGABMO COc1cccc(Oc2cncc([C@H]3CCC[N@@H+](Cc4cncn4C)C3)n2)c1 ZINC000072363165 222241280 /nfs/dbraw/zinc/24/12/80/222241280.db2.gz IVUURZPATGUUEQ-INIZCTEOSA-N 1 1 379.464 3.391 40 0 GGABMO COc1ccccc1Oc1cncc([C@H]2CCC[N@H+](Cc3cncn3C)C2)n1 ZINC000072363163 222241550 /nfs/dbraw/zinc/24/15/50/222241550.db2.gz PGZQFPOSYKJQMF-INIZCTEOSA-N 1 1 379.464 3.391 40 0 GGABMO COc1ccccc1Oc1cncc([C@H]2CCC[N@@H+](Cc3cncn3C)C2)n1 ZINC000072363163 222241553 /nfs/dbraw/zinc/24/15/53/222241553.db2.gz PGZQFPOSYKJQMF-INIZCTEOSA-N 1 1 379.464 3.391 40 0 GGABMO CNc1nc([C@H]2CCCC[N@H+]2CCc2ccccc2)nc2c1CN(C(C)=O)CC2 ZINC000072372191 222241843 /nfs/dbraw/zinc/24/18/43/222241843.db2.gz AKIYJRMPZOCTDT-OAQYLSRUSA-N 1 1 393.535 3.193 40 0 GGABMO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072375943 222241895 /nfs/dbraw/zinc/24/18/95/222241895.db2.gz DUSGLHHAZFZPNV-GOSISDBHSA-N 1 1 379.508 3.330 40 0 GGABMO CC(C)c1ccc(OCCc2cc([C@H]3CC[N@@H+](CC(=O)N(C)C)C3)[nH]n2)cc1 ZINC000072371356 222242451 /nfs/dbraw/zinc/24/24/51/222242451.db2.gz HWKJZDBHBZJGGU-SFHVURJKSA-N 1 1 384.524 3.032 40 0 GGABMO CC(C)c1ccc(OCCc2cc([C@H]3CC[N@H+](CC(=O)N(C)C)C3)n[nH]2)cc1 ZINC000072371356 222242454 /nfs/dbraw/zinc/24/24/54/222242454.db2.gz HWKJZDBHBZJGGU-SFHVURJKSA-N 1 1 384.524 3.032 40 0 GGABMO CC(C)c1ccc(OCCc2cc([C@H]3CC[N@@H+](CC(=O)N(C)C)C3)n[nH]2)cc1 ZINC000072371356 222242457 /nfs/dbraw/zinc/24/24/57/222242457.db2.gz HWKJZDBHBZJGGU-SFHVURJKSA-N 1 1 384.524 3.032 40 0 GGABMO CC1(C)C=C(CC(=O)N2CCC[C@@H]2c2ccc3c(N)[nH]nc3n2)CC(C)(C)[NH2+]1 ZINC000072374553 222243002 /nfs/dbraw/zinc/24/30/02/222243002.db2.gz GIEVUYVSCRFGQI-MRXNPFEDSA-N 1 1 382.512 3.071 40 0 GGABMO CCN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(OC)c1 ZINC000072376827 222244323 /nfs/dbraw/zinc/24/43/23/222244323.db2.gz SXCKGXDNGIFNPI-LJQANCHMSA-N 1 1 397.523 3.130 40 0 GGABMO CCN(CC)C(=O)C[N@H+]1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(OC)c1 ZINC000072376827 222244329 /nfs/dbraw/zinc/24/43/29/222244329.db2.gz SXCKGXDNGIFNPI-LJQANCHMSA-N 1 1 397.523 3.130 40 0 GGABMO CNc1nc([C@H]2CCCC[N@H+]2CCc2ccccc2)nc2c1CCN(C(C)=O)C2 ZINC000072376541 222244454 /nfs/dbraw/zinc/24/44/54/222244454.db2.gz RGJGJUOAMNUARI-OAQYLSRUSA-N 1 1 393.535 3.193 40 0 GGABMO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CC[N@@H+](Cc4cccnc4)C3)n2)n1 ZINC000072382458 222244711 /nfs/dbraw/zinc/24/47/11/222244711.db2.gz SHRLIWJOTKVMGI-SFHVURJKSA-N 1 1 375.480 3.320 40 0 GGABMO O=C(c1cc([C@@H]2CCCC[N@H+]2CCCc2ccccc2)[nH]n1)N1CCOCC1 ZINC000072380627 222244850 /nfs/dbraw/zinc/24/48/50/222244850.db2.gz WIKMIRUDKXZDNI-NRFANRHFSA-N 1 1 382.508 3.042 40 0 GGABMO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCC[N@@H+]2CC(=O)N2CCCC2)n1 ZINC000072376832 222245210 /nfs/dbraw/zinc/24/52/10/222245210.db2.gz HVILSLLDBHKHGY-GOSISDBHSA-N 1 1 383.471 3.014 40 0 GGABMO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCC[N@H+]2CC(=O)N2CCCC2)n1 ZINC000072376832 222245213 /nfs/dbraw/zinc/24/52/13/222245213.db2.gz HVILSLLDBHKHGY-GOSISDBHSA-N 1 1 383.471 3.014 40 0 GGABMO COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(-n3cc[nH+]c3C)n2)cc1 ZINC000072378382 222245489 /nfs/dbraw/zinc/24/54/89/222245489.db2.gz ANLOGCGZBVGAJN-HXUWFJFHSA-N 1 1 376.460 3.491 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(Nc4cncnc4)n3)C2)cc1 ZINC000072377453 222245732 /nfs/dbraw/zinc/24/57/32/222245732.db2.gz IODWFVGCXCPVFO-QGZVFWFLSA-N 1 1 376.464 3.398 40 0 GGABMO Cc1ncccc1Oc1nccnc1C1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000072383548 222246374 /nfs/dbraw/zinc/24/63/74/222246374.db2.gz JKAGTLSTBSJJRL-UHFFFAOYSA-N 1 1 395.507 3.164 40 0 GGABMO COc1ccc(Oc2cncc([C@H]3CCC[N@H+]3C3CCN(C(C)=O)CC3)n2)cc1 ZINC000072384374 222247087 /nfs/dbraw/zinc/24/70/87/222247087.db2.gz KRTUEEVVLKREQN-OAQYLSRUSA-N 1 1 396.491 3.425 40 0 GGABMO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C[C@@H](C)c2ccccc2)C3)C1 ZINC000072390913 222247378 /nfs/dbraw/zinc/24/73/78/222247378.db2.gz FHQIMSAPJSSYKM-YLJYHZDGSA-N 1 1 378.520 3.364 40 0 GGABMO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nccnc2Oc2cccnc2C)C1 ZINC000072383623 222247451 /nfs/dbraw/zinc/24/74/51/222247451.db2.gz PHTMGGGSOCMAAP-KRWDZBQOSA-N 1 1 383.496 3.020 40 0 GGABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2nccnc2Oc2cccnc2C)C1 ZINC000072383623 222247454 /nfs/dbraw/zinc/24/74/54/222247454.db2.gz PHTMGGGSOCMAAP-KRWDZBQOSA-N 1 1 383.496 3.020 40 0 GGABMO COc1ccccc1-c1ccc(C2(CNC(=O)CC[NH+]3CCOCC3)CC2)cc1 ZINC000072391840 222248404 /nfs/dbraw/zinc/24/84/04/222248404.db2.gz BNZAOGQGMSQMOE-UHFFFAOYSA-N 1 1 394.515 3.232 40 0 GGABMO COc1ccccc1C[N@H+]1CCC[C@H](c2cc(=O)[nH]c(-c3cccnc3)n2)C1 ZINC000072393052 222250926 /nfs/dbraw/zinc/25/09/26/222250926.db2.gz QSZSUOIFVXYPDI-KRWDZBQOSA-N 1 1 376.460 3.220 40 0 GGABMO CN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@H+](Cc3ccc4ncccc4c3)C[C@@H]12 ZINC000072395847 222252049 /nfs/dbraw/zinc/25/20/49/222252049.db2.gz GEOODYVTGCHYHV-QPPBQGQZSA-N 1 1 385.467 3.394 40 0 GGABMO Cc1ccccc1OCCC(=O)N1C[C@@H]2CCCC[N@H+](C3CCOCC3)[C@@H]2C1 ZINC000072399176 222253799 /nfs/dbraw/zinc/25/37/99/222253799.db2.gz UAPIJSKQQLNTBZ-PZJWPPBQSA-N 1 1 386.536 3.256 40 0 GGABMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000084504675 222315803 /nfs/dbraw/zinc/31/58/03/222315803.db2.gz GIAVJPQSOZPCGO-ZDUSSCGKSA-N 1 1 391.393 3.054 40 0 GGABMO COc1ccc(C[NH+]2CCC3(C[C@H](N(C)Cc4cccnc4)CO3)CC2)cc1 ZINC000096047987 222374580 /nfs/dbraw/zinc/37/45/80/222374580.db2.gz SOXVLUMUHDHLFM-NRFANRHFSA-N 1 1 381.520 3.346 40 0 GGABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccco1)CCC2 ZINC000096056073 222377130 /nfs/dbraw/zinc/37/71/30/222377130.db2.gz OOYSZPJYHZFBAV-CVDCTZTESA-N 1 1 397.519 3.260 40 0 GGABMO CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1ccco1)CCC2 ZINC000096056073 222377133 /nfs/dbraw/zinc/37/71/33/222377133.db2.gz OOYSZPJYHZFBAV-CVDCTZTESA-N 1 1 397.519 3.260 40 0 GGABMO CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1ccco1)CCC2 ZINC000096056073 222377136 /nfs/dbraw/zinc/37/71/36/222377136.db2.gz OOYSZPJYHZFBAV-CVDCTZTESA-N 1 1 397.519 3.260 40 0 GGABMO F[C@@H]1C[N@H+](C2CCOCC2)C[C@@H]1OCc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000096112250 222381042 /nfs/dbraw/zinc/38/10/42/222381042.db2.gz CWUBXVXWVRJECF-CJNGLKHVSA-N 1 1 387.377 3.300 40 0 biogenic,in-vitro GGABMO F[C@@H]1C[N@@H+](C2CCOCC2)C[C@@H]1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000096112250 222381047 /nfs/dbraw/zinc/38/10/47/222381047.db2.gz CWUBXVXWVRJECF-CJNGLKHVSA-N 1 1 387.377 3.300 40 0 biogenic,in-vitro GGABMO F[C@@H]1C[N@H+](C2CCOCC2)C[C@@H]1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000096112250 222381048 /nfs/dbraw/zinc/38/10/48/222381048.db2.gz CWUBXVXWVRJECF-CJNGLKHVSA-N 1 1 387.377 3.300 40 0 biogenic,in-vitro GGABMO CC(C)CCN1[C@@]2(CC[N@H+](Cc3ccncc3)C2)c2ccccc2S1(=O)=O ZINC000096143265 222388167 /nfs/dbraw/zinc/38/81/67/222388167.db2.gz RJDSQTUVWJTMMF-OAQYLSRUSA-N 1 1 385.533 3.233 40 0 GGABMO CC(C)CCN1[C@@]2(CC[N@@H+](Cc3ccncc3)C2)c2ccccc2S1(=O)=O ZINC000096143265 222388171 /nfs/dbraw/zinc/38/81/71/222388171.db2.gz RJDSQTUVWJTMMF-OAQYLSRUSA-N 1 1 385.533 3.233 40 0 GGABMO O=C(NC1CCCC1)c1ccc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000096156146 222393312 /nfs/dbraw/zinc/39/33/12/222393312.db2.gz RHUWPOKWSRVZPP-SFHVURJKSA-N 1 1 389.503 3.391 40 0 GGABMO Cc1cccc(C(=O)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC000096221012 222397890 /nfs/dbraw/zinc/39/78/90/222397890.db2.gz DBAKYKXWCHSVPZ-FQEVSTJZSA-N 1 1 379.504 3.286 40 0 GGABMO C[C@@H](CNC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000096225718 222399798 /nfs/dbraw/zinc/39/97/98/222399798.db2.gz KEKRCKHLXHMTHX-FDDCHVKYSA-N 1 1 377.488 3.327 40 0 GGABMO Cc1cccc(OCCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000024750297 524728363 /nfs/dbraw/zinc/72/83/63/524728363.db2.gz YJCRVNIBOIHFER-UHFFFAOYSA-N 1 1 382.504 3.221 40 0 GGABMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012810123 526887165 /nfs/dbraw/zinc/88/71/65/526887165.db2.gz PGQDDGVXNJAPRK-LJQANCHMSA-N 1 1 378.457 3.235 40 0 GGABMO C[C@@]1(O)CC[N@H+](Cc2ccncc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514290009 560030647 /nfs/dbraw/zinc/03/06/47/560030647.db2.gz UONFZZUNHAPVKU-WPFOTENUSA-N 1 1 393.531 3.455 40 0 biogenic,in-vitro GGABMO C[C@@]1(O)CC[N@@H+](Cc2ccncc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514290009 560030649 /nfs/dbraw/zinc/03/06/49/560030649.db2.gz UONFZZUNHAPVKU-WPFOTENUSA-N 1 1 393.531 3.455 40 0 biogenic,in-vitro GGABMO CC[NH+](CC)Cc1nc(C2(O)CCN(C(=O)C3CCCCC3)CC2)cs1 ZINC000225464095 560043407 /nfs/dbraw/zinc/04/34/07/560043407.db2.gz LVGRQQVFBNQKNG-UHFFFAOYSA-N 1 1 379.570 3.375 40 0 biogenic,in-vitro GGABMO COc1ccc(CN2C[C@H]3C[N@@H+](Cc4c[nH]c5ccccc45)CCN3C2=O)cc1 ZINC000096269126 560054125 /nfs/dbraw/zinc/05/41/25/560054125.db2.gz MOFMVFXNLLSKNT-LJQANCHMSA-N 1 1 390.487 3.299 40 0 biogenic,in-vitro GGABMO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCCCC3)n2)cn1 ZINC000035425643 560080275 /nfs/dbraw/zinc/08/02/75/560080275.db2.gz BXHITGIHNCPSAE-INIZCTEOSA-N 1 1 385.468 3.186 40 0 biogenic,in-vitro GGABMO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(NC(C)=O)cc3)n2)cn1 ZINC000035426196 560080734 /nfs/dbraw/zinc/08/07/34/560080734.db2.gz VZTRGCGNMMLBSN-SFHVURJKSA-N 1 1 392.463 3.469 40 0 biogenic,in-vitro GGABMO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(NC(C)=O)cc3)n2)cn1 ZINC000035426196 560080735 /nfs/dbraw/zinc/08/07/35/560080735.db2.gz VZTRGCGNMMLBSN-SFHVURJKSA-N 1 1 392.463 3.469 40 0 biogenic,in-vitro GGABMO CN1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)CC1 ZINC000049155488 560083900 /nfs/dbraw/zinc/08/39/00/560083900.db2.gz SECPMXVBZDZHIQ-FQEVSTJZSA-N 1 1 390.491 3.425 40 0 biogenic,in-vitro GGABMO CN1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)CC1 ZINC000049155488 560083901 /nfs/dbraw/zinc/08/39/01/560083901.db2.gz SECPMXVBZDZHIQ-FQEVSTJZSA-N 1 1 390.491 3.425 40 0 biogenic,in-vitro GGABMO COc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccc(F)cc4)CC3)c2c1 ZINC000020353144 560091994 /nfs/dbraw/zinc/09/19/94/560091994.db2.gz BFKZQWOYQFSDDO-UHFFFAOYSA-N 1 1 382.435 3.259 40 0 biogenic,in-vitro GGABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5cccs5)ccc43)C2)CC1 ZINC000004260401 560197966 /nfs/dbraw/zinc/19/79/66/560197966.db2.gz HIJGCIDEBKDDQL-DLBZAZTESA-N 1 1 397.544 3.007 40 0 biogenic,in-vitro GGABMO C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008723910 564250667 /nfs/dbraw/zinc/25/06/67/564250667.db2.gz QJGJZBIBZMBPFS-LURJTMIESA-N 1 1 391.806 3.433 40 0 GGABMO Cc1ccc(C[N@@H+]2CCC[C@@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)s1 ZINC000019217172 564303612 /nfs/dbraw/zinc/30/36/12/564303612.db2.gz AXMKIVYNUCOPQW-CQSZACIVSA-N 1 1 375.519 3.291 40 0 GGABMO Cc1ccc(C[N@H+]2CCC[C@@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)s1 ZINC000019217172 564303613 /nfs/dbraw/zinc/30/36/13/564303613.db2.gz AXMKIVYNUCOPQW-CQSZACIVSA-N 1 1 375.519 3.291 40 0 GGABMO CCC[NH+]1CCN(C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000020197057 564305541 /nfs/dbraw/zinc/30/55/41/564305541.db2.gz UMAXVUCCUMSZMH-UHFFFAOYSA-N 1 1 380.901 3.036 40 0 GGABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)Cc1ccccc1Cl ZINC000022525590 564317635 /nfs/dbraw/zinc/31/76/35/564317635.db2.gz RXDSTVMPYBNQSA-UHFFFAOYSA-N 1 1 375.881 3.454 40 0 GGABMO C[C@H](CNC(=O)/C=C/c1cccc(Br)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000032430027 564399150 /nfs/dbraw/zinc/39/91/50/564399150.db2.gz SZAZNLLFHXIZJT-NPONBVRISA-N 1 1 381.314 3.076 40 0 GGABMO CC(C)[N@@H+](C)CCCNC(=O)c1cc(Cl)ccc1I ZINC000048106506 564531542 /nfs/dbraw/zinc/53/15/42/564531542.db2.gz IYOUGRBIYFMCAC-UHFFFAOYSA-N 1 1 394.684 3.405 40 0 GGABMO CC[N@H+]1CCc2ncnc(SCC(=O)Nc3ccc(Cl)cc3F)c2C1 ZINC000049401012 564551520 /nfs/dbraw/zinc/55/15/20/564551520.db2.gz HLPAQDLTBZZGEQ-UHFFFAOYSA-N 1 1 380.876 3.378 40 0 GGABMO Cc1[nH+]ccn1CC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000090560576 564870528 /nfs/dbraw/zinc/87/05/28/564870528.db2.gz YZVRZWFLDRIFGT-UHFFFAOYSA-N 1 1 398.326 3.055 40 0 GGABMO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccc(Br)o3)n[nH]2)cc1OC ZINC000095534325 564899962 /nfs/dbraw/zinc/89/99/62/564899962.db2.gz RRYURFCJSUYTTJ-CQSZACIVSA-N 1 1 393.241 3.283 40 0 GGABMO CC(C)N1CCC[C@]2(C[N@@H+](Cc3nccs3)C[C@H]2c2nccs2)C1=O ZINC000306132068 565576436 /nfs/dbraw/zinc/57/64/36/565576436.db2.gz KXFFESTZQXEGAG-KBXCAEBGSA-N 1 1 376.551 3.216 40 0 GGABMO CCOC[C@]1([NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218557112 565899798 /nfs/dbraw/zinc/89/97/98/565899798.db2.gz GGYIXJADWVAUAQ-QYZOEREBSA-N 1 1 379.909 3.322 40 0 GGABMO CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2([NH3+])COC)cc1 ZINC000218639573 565900523 /nfs/dbraw/zinc/90/05/23/565900523.db2.gz RMDUYHBZGAMADG-GBESFXJTSA-N 1 1 379.909 3.186 40 0 GGABMO CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2([NH3+])COC)cc1 ZINC000218639506 565900799 /nfs/dbraw/zinc/90/07/99/565900799.db2.gz RMDUYHBZGAMADG-CEXWTWQISA-N 1 1 379.909 3.186 40 0 GGABMO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2([NH3+])COC)cc1 ZINC000218639644 565900856 /nfs/dbraw/zinc/90/08/56/565900856.db2.gz RMDUYHBZGAMADG-GUDVDZBRSA-N 1 1 379.909 3.186 40 0 GGABMO CCOC[C@]1([NH3+])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218658888 565900905 /nfs/dbraw/zinc/90/09/05/565900905.db2.gz FGIDHNHMDHHYER-SQNIBIBYSA-N 1 1 383.872 3.153 40 0 GGABMO CC[NH+]1CCN(C(=O)CCc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000224889866 565912564 /nfs/dbraw/zinc/91/25/64/565912564.db2.gz NWCJLAMAMCTMPI-UHFFFAOYSA-N 1 1 392.297 3.201 40 0 GGABMO CCOC[C@]1([NH3+])[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242649226 565984111 /nfs/dbraw/zinc/98/41/11/565984111.db2.gz RXWIMFXGLWKALU-KSZLIROESA-N 1 1 383.872 3.153 40 0 GGABMO Cc1ncc2c(n1)[C@]1(CC[N@H+](Cc3cc(Br)cs3)C1)COC2 ZINC000247983475 566069570 /nfs/dbraw/zinc/06/95/70/566069570.db2.gz YJADLFGQTIPIEO-INIZCTEOSA-N 1 1 380.311 3.283 40 0 GGABMO Cc1ncc2c(n1)[C@]1(CC[N@@H+](Cc3cc(Br)cs3)C1)COC2 ZINC000247983475 566069573 /nfs/dbraw/zinc/06/95/73/566069573.db2.gz YJADLFGQTIPIEO-INIZCTEOSA-N 1 1 380.311 3.283 40 0 GGABMO COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CCN(c1nnc(C)s1)CC2 ZINC000248020146 566071367 /nfs/dbraw/zinc/07/13/67/566071367.db2.gz LQICAAHRDIAYGJ-INIZCTEOSA-N 1 1 378.567 3.273 40 0 GGABMO Cc1nc(COC[C@@H]2CC[N@H+](C)C3(CN(Cc4nccs4)C3)C2)cs1 ZINC000248139040 566073086 /nfs/dbraw/zinc/07/30/86/566073086.db2.gz PREPXPYGWZCUID-OAHLLOKOSA-N 1 1 378.567 3.021 40 0 GGABMO CN(C(=O)c1nccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000019745593 570213557 /nfs/dbraw/zinc/21/35/57/570213557.db2.gz RQTZOZUGYVHQHI-LJQANCHMSA-N 1 1 377.492 3.095 40 0 GGABMO O=C(NCC[C@@H]1CCCC[N@H+]1Cc1ccnc(N2CCCC2)n1)C1CCCC1 ZINC000019746247 570213685 /nfs/dbraw/zinc/21/36/85/570213685.db2.gz BZOVYSFSIKTNBY-FQEVSTJZSA-N 1 1 385.556 3.128 40 0 GGABMO Cc1c(C[N@@H+]2CCC[C@H](N(C)C(=O)c3nccc4ccccc43)CC2)cnn1C ZINC000019749659 570215104 /nfs/dbraw/zinc/21/51/04/570215104.db2.gz KJQLUXHITKPRRZ-FQEVSTJZSA-N 1 1 391.519 3.403 40 0 GGABMO COCCNC(=O)c1cc([C@H]2C[N@H+](CC(C)(C)C)CCO2)nc2ccccc21 ZINC000019759697 570216613 /nfs/dbraw/zinc/21/66/13/570216613.db2.gz GIQAAVVLIKGENF-HXUWFJFHSA-N 1 1 385.508 3.030 40 0 GGABMO COCCNC(=O)c1cc([C@H]2C[N@@H+](CC(C)(C)C)CCO2)nc2ccccc21 ZINC000019759697 570216614 /nfs/dbraw/zinc/21/66/14/570216614.db2.gz GIQAAVVLIKGENF-HXUWFJFHSA-N 1 1 385.508 3.030 40 0 GGABMO C[C@H](CNC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000096225721 570220488 /nfs/dbraw/zinc/22/04/88/570220488.db2.gz KEKRCKHLXHMTHX-JPYJTQIMSA-N 1 1 377.488 3.327 40 0 GGABMO O=C(c1ccc(Cl)cc1)N1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096239886 570222058 /nfs/dbraw/zinc/22/20/58/570222058.db2.gz JXDKCXHSDJKBGN-UHFFFAOYSA-N 1 1 399.922 3.490 40 0 GGABMO Cc1ccc(C[N@@H+]2Cc3ccccc3C3(CCN(CC(=O)N(C)C)CC3)C2)cc1 ZINC000096242426 570222666 /nfs/dbraw/zinc/22/26/66/570222666.db2.gz XWQONOQOZIUZSX-UHFFFAOYSA-N 1 1 391.559 3.433 40 0 GGABMO Cc1ccc(C[N@H+]2Cc3ccccc3C3(CCN(CC(=O)N(C)C)CC3)C2)cc1 ZINC000096242426 570222668 /nfs/dbraw/zinc/22/26/68/570222668.db2.gz XWQONOQOZIUZSX-UHFFFAOYSA-N 1 1 391.559 3.433 40 0 GGABMO Cc1ccc(C[N@@H+]2Cc3ccccc3C3(CCN(CC(=O)N(C)C)CC3)C2)s1 ZINC000096242423 570222736 /nfs/dbraw/zinc/22/27/36/570222736.db2.gz LQQVYOYBZJWLBP-UHFFFAOYSA-N 1 1 397.588 3.494 40 0 GGABMO Cc1ccc(C[N@H+]2Cc3ccccc3C3(CCN(CC(=O)N(C)C)CC3)C2)s1 ZINC000096242423 570222740 /nfs/dbraw/zinc/22/27/40/570222740.db2.gz LQQVYOYBZJWLBP-UHFFFAOYSA-N 1 1 397.588 3.494 40 0 GGABMO Cn1cc(C[NH+]2CCC3(CC2)CN(Cc2cccnc2)Cc2ccccc23)cn1 ZINC000096242577 570223173 /nfs/dbraw/zinc/22/31/73/570223173.db2.gz DKJLJOZFUIDXFL-UHFFFAOYSA-N 1 1 387.531 3.365 40 0 GGABMO Cn1nc(C[NH+]2CCCCC2)c2c1CN(C(=O)c1ccc3ccccc3n1)C2 ZINC000096259134 570225475 /nfs/dbraw/zinc/22/54/75/570225475.db2.gz IMZBRBOKPYPXEK-UHFFFAOYSA-N 1 1 375.476 3.110 40 0 GGABMO CN(C)C(=O)c1cc2c(nc1NCC1CC1)CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096260570 570225776 /nfs/dbraw/zinc/22/57/76/570225776.db2.gz FHVDFEWVUHGWSM-UHFFFAOYSA-N 1 1 396.510 3.345 40 0 GGABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4cccc(Cl)c4)C[C@@H]32)C(=O)N1CCOC ZINC000096261665 570225982 /nfs/dbraw/zinc/22/59/82/570225982.db2.gz RESTXQNBJIKSRS-PLMTUMEDSA-N 1 1 389.927 3.218 40 0 GGABMO CCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC000096319718 570228718 /nfs/dbraw/zinc/22/87/18/570228718.db2.gz NYTPNQROKNGGDO-UHFFFAOYSA-N 1 1 394.519 3.247 40 0 GGABMO CCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000096319718 570228723 /nfs/dbraw/zinc/22/87/23/570228723.db2.gz NYTPNQROKNGGDO-UHFFFAOYSA-N 1 1 394.519 3.247 40 0 GGABMO COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(C)cc1)C[N@H+]2Cc1ccccc1 ZINC000585262518 570230362 /nfs/dbraw/zinc/23/03/62/570230362.db2.gz IQZUFGKSMKUKNM-DNVJHFABSA-N 1 1 378.516 3.458 40 0 GGABMO Cc1nn(C)c(C)c1CC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048311137 570233484 /nfs/dbraw/zinc/23/34/84/570233484.db2.gz RIQUDYNUYKVSRQ-CALCHBBNSA-N 1 1 382.552 3.374 40 0 GGABMO Cc1cc(COc2ccc(C[N@H+]3C[C@@H](O)[C@H](Oc4cccc(F)c4)C3)cc2)no1 ZINC000585269063 570235445 /nfs/dbraw/zinc/23/54/45/570235445.db2.gz BDRQHKGQCUTTLS-FGZHOGPDSA-N 1 1 398.434 3.325 40 0 GGABMO Cc1csc(=O)n1CC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048332551 570237257 /nfs/dbraw/zinc/23/72/57/570237257.db2.gz SCAOAMMTHMWSEG-IYBDPMFKSA-N 1 1 387.549 3.013 40 0 GGABMO CCOc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(OCCF)cc1 ZINC000585269601 570237375 /nfs/dbraw/zinc/23/73/75/570237375.db2.gz AVOPRGKRNGIAQE-GOSISDBHSA-N 1 1 377.456 3.305 40 0 GGABMO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1Cl ZINC000020105592 570239762 /nfs/dbraw/zinc/23/97/62/570239762.db2.gz AMECSNBLNAWGKO-UHFFFAOYSA-N 1 1 391.880 3.321 40 0 GGABMO CC(=O)N1CC[N@H+](C2CCC(C)(C)CC2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585280912 570249340 /nfs/dbraw/zinc/24/93/40/570249340.db2.gz CKNSBQWULZUHHZ-QHCPKHFHSA-N 1 1 388.552 3.238 40 0 GGABMO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])c(C[NH+]3CCSCC3)coc1=O)C2 ZINC000101363127 570249702 /nfs/dbraw/zinc/24/97/02/570249702.db2.gz JXBIULDEWRYAKA-KKSFZXQISA-N 1 1 392.565 3.295 40 0 GGABMO CC(=O)N1CC[N@H+](C2CCC(C)(C)CC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585283043 570251481 /nfs/dbraw/zinc/25/14/81/570251481.db2.gz OXYJFRWCKYWSJZ-QFIPXVFZSA-N 1 1 392.515 3.069 40 0 GGABMO CC1(C)CCC([N@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)c(F)c(F)c3)C2)CC1 ZINC000585284562 570253909 /nfs/dbraw/zinc/25/39/09/570253909.db2.gz YIVMEHJLJDPETD-PXNSSMCTSA-N 1 1 387.442 3.249 40 0 GGABMO CC(=O)N1CC[C@H]2[C@@H](C1)CCCC[N@H+]2CC1(O)CCN(c2ccccc2C)CC1 ZINC000585286614 570255673 /nfs/dbraw/zinc/25/56/73/570255673.db2.gz PHSZRUSVHWBGLK-GGAORHGYSA-N 1 1 399.579 3.049 40 0 GGABMO Cn1cnc(C[N@H+]2CCC[C@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)c1 ZINC000585288912 570256706 /nfs/dbraw/zinc/25/67/06/570256706.db2.gz AMIAEDSSMUWVFE-ZDUSSCGKSA-N 1 1 392.385 3.264 40 0 GGABMO FC(F)(F)c1nc(-c2ccc([C@H]3CCC[N@@H+](Cc4cncnc4)C3)nc2)no1 ZINC000585289461 570257483 /nfs/dbraw/zinc/25/74/83/570257483.db2.gz HBKXOPYJOHTDNI-AWEZNQCLSA-N 1 1 390.369 3.320 40 0 GGABMO OCC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585289773 570257730 /nfs/dbraw/zinc/25/77/30/570257730.db2.gz NMYVNKJWZZNNFG-PWRODBHTSA-N 1 1 375.896 3.495 40 0 GGABMO COc1ccc(OC[C@@H](O)C[N@@H+](CCO)Cc2ccccc2)c(C(C)(C)C)c1 ZINC000006306043 570262946 /nfs/dbraw/zinc/26/29/46/570262946.db2.gz GEGKZCJNVVWLRK-IBGZPJMESA-N 1 1 387.520 3.227 40 0 GGABMO C[NH+]1CCN(N2CN(Cc3ccccc3Cl)Cn3c4ccccc4nc32)CC1 ZINC000020637242 570273758 /nfs/dbraw/zinc/27/37/58/570273758.db2.gz HYUOODZCADMLDJ-UHFFFAOYSA-N 1 1 396.926 3.089 40 0 GGABMO C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022025268 570302741 /nfs/dbraw/zinc/30/27/41/570302741.db2.gz VUWGUXSBQAEDCK-CVDCTZTESA-N 1 1 377.532 3.387 40 0 GGABMO C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022025265 570302767 /nfs/dbraw/zinc/30/27/67/570302767.db2.gz VUWGUXSBQAEDCK-AUSIDOKSSA-N 1 1 377.532 3.387 40 0 GGABMO Fc1ccc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000107248511 570308908 /nfs/dbraw/zinc/30/89/08/570308908.db2.gz AHGUMKRQOWCVCL-JOCHJYFZSA-N 1 1 376.435 3.352 40 0 GGABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(C(F)(F)F)cc2)cc1OC ZINC000072227103 570319350 /nfs/dbraw/zinc/31/93/50/570319350.db2.gz NFTSSTMAWUCGBG-SJORKVTESA-N 1 1 380.366 3.133 40 0 GGABMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1nc2c(s1)CCCCC2 ZINC000026250639 570322730 /nfs/dbraw/zinc/32/27/30/570322730.db2.gz ZSPYVBOLFVIMFI-UHFFFAOYSA-N 1 1 384.549 3.168 40 0 GGABMO COc1cc(CCC(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)cc(OC)c1 ZINC000022679266 570324262 /nfs/dbraw/zinc/32/42/62/570324262.db2.gz XBQDMBPIUHWVQA-HXUWFJFHSA-N 1 1 386.492 3.064 40 0 GGABMO C[C@H](SCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022904818 570333280 /nfs/dbraw/zinc/33/32/80/570333280.db2.gz TZEQSNRVVNHYTR-SFHVURJKSA-N 1 1 384.545 3.457 40 0 GGABMO COc1ccc(-c2noc(CN3CC[NH+](Cc4cccc(C)c4)CC3)n2)cc1 ZINC000022919934 570335517 /nfs/dbraw/zinc/33/55/17/570335517.db2.gz MOVVDVOXBPGGJY-UHFFFAOYSA-N 1 1 378.476 3.371 40 0 GGABMO COc1ccc([C@@H](CNS(=O)(=O)c2cc(C)ccc2C)[NH+]2CCCC2)cc1 ZINC000023994220 570341794 /nfs/dbraw/zinc/34/17/94/570341794.db2.gz DECWTMLXUGQHMD-HXUWFJFHSA-N 1 1 388.533 3.427 40 0 GGABMO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H](C[NH+]1CCOCC1)C2=O ZINC000118915050 570366943 /nfs/dbraw/zinc/36/69/43/570366943.db2.gz OXMJWUNKEJJKIF-NHPREHGTSA-N 1 1 387.564 3.438 40 0 GGABMO O[C@@H](COc1ccccc1)C[NH+]1CCN(Cc2csc3ccccc23)CC1 ZINC000022835544 570378165 /nfs/dbraw/zinc/37/81/65/570378165.db2.gz DBFSAWBEBOMLAU-LJQANCHMSA-N 1 1 382.529 3.459 40 0 GGABMO FC(F)(F)c1cccc(C[N@H+](CCN2CCOCC2)Cc2cccnc2)c1 ZINC000022931377 570379345 /nfs/dbraw/zinc/37/93/45/570379345.db2.gz WIXPEXWDEXPEPU-UHFFFAOYSA-N 1 1 379.426 3.435 40 0 GGABMO FC(F)(F)c1cccc(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)c1 ZINC000022931377 570379346 /nfs/dbraw/zinc/37/93/46/570379346.db2.gz WIXPEXWDEXPEPU-UHFFFAOYSA-N 1 1 379.426 3.435 40 0 GGABMO COc1ccc(F)cc1S(=O)(=O)N1CCC(Cn2cc[nH+]c2C(C)C)CC1 ZINC000090560532 570380284 /nfs/dbraw/zinc/38/02/84/570380284.db2.gz WVBGJUBRAHPFQU-UHFFFAOYSA-N 1 1 395.500 3.255 40 0 GGABMO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024193312 570380423 /nfs/dbraw/zinc/38/04/23/570380423.db2.gz DRXQRCQEUZZQMS-MRXNPFEDSA-N 1 1 388.895 3.256 40 0 GGABMO Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C[NH+]3CCCCC3)c2)cc1 ZINC000004952442 570381034 /nfs/dbraw/zinc/38/10/34/570381034.db2.gz ZWDDNTQEYPPBNP-UHFFFAOYSA-N 1 1 387.505 3.220 40 0 GGABMO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccn3)CC2)c(C(C)(C)C)c1 ZINC000027531057 570407245 /nfs/dbraw/zinc/40/72/45/570407245.db2.gz LSCWLMQAONRFEI-LJQANCHMSA-N 1 1 383.536 3.249 40 0 GGABMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000024959856 570407810 /nfs/dbraw/zinc/40/78/10/570407810.db2.gz IIGQEJOGAJWRQT-PMACEKPBSA-N 1 1 393.531 3.258 40 0 GGABMO C[N@@H+](CC(=O)N(CCC(N)=O)c1ccccc1)CC12CC3CC(CC(C3)C1)C2 ZINC000027782800 570442613 /nfs/dbraw/zinc/44/26/13/570442613.db2.gz DWBCEGPRXYCXOM-UHFFFAOYSA-N 1 1 383.536 3.043 40 0 GGABMO CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000226070009 570458871 /nfs/dbraw/zinc/45/88/71/570458871.db2.gz XZRZOKNRXTYKCI-FQEVSTJZSA-N 1 1 393.568 3.489 40 0 GGABMO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2)Nc1ccc2c(c1)OCO2 ZINC000035315668 570469401 /nfs/dbraw/zinc/46/94/01/570469401.db2.gz SBVVIQIOGAMOOY-VSOVRNOCSA-N 1 1 398.434 3.008 40 0 GGABMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2)Nc1ccc2c(c1)OCO2 ZINC000035315668 570469403 /nfs/dbraw/zinc/46/94/03/570469403.db2.gz SBVVIQIOGAMOOY-VSOVRNOCSA-N 1 1 398.434 3.008 40 0 GGABMO Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCC(C)CC3)c(=O)[nH]c12 ZINC000000782266 570480194 /nfs/dbraw/zinc/48/01/94/570480194.db2.gz UVMGSEJLBDTIHR-IBGZPJMESA-N 1 1 394.523 3.399 40 0 GGABMO CCc1cc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)ccc1OC ZINC000223710692 570480665 /nfs/dbraw/zinc/48/06/65/570480665.db2.gz BASMAZWLNPARNG-UHFFFAOYSA-N 1 1 385.489 3.230 40 0 GGABMO CC(C)(Cc1ccccc1)NC(=O)C[N@@H+]1CCC[C@@](O)(COc2ccccc2)C1 ZINC000257203964 570487036 /nfs/dbraw/zinc/48/70/36/570487036.db2.gz ASJXKLBSVRMXPE-DEOSSOPVSA-N 1 1 396.531 3.030 40 0 GGABMO CC(C)(Cc1ccccc1)NC(=O)C[N@H+]1CCC[C@@](O)(COc2ccccc2)C1 ZINC000257203964 570487039 /nfs/dbraw/zinc/48/70/39/570487039.db2.gz ASJXKLBSVRMXPE-DEOSSOPVSA-N 1 1 396.531 3.030 40 0 GGABMO C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000032425403 570510250 /nfs/dbraw/zinc/51/02/50/570510250.db2.gz SHGJPPJVMYLSSN-INIZCTEOSA-N 1 1 388.895 3.256 40 0 GGABMO CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224571908 570518388 /nfs/dbraw/zinc/51/83/88/570518388.db2.gz DSTLVEOIFSNPDC-NRFANRHFSA-N 1 1 382.504 3.301 40 0 GGABMO CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224571859 570518631 /nfs/dbraw/zinc/51/86/31/570518631.db2.gz DSTLVEOIFSNPDC-OAQYLSRUSA-N 1 1 382.504 3.301 40 0 GGABMO Cc1cc(C)c(C)c(OCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000224566930 570518702 /nfs/dbraw/zinc/51/87/02/570518702.db2.gz KMQMLEZZKTZOCR-UHFFFAOYSA-N 1 1 382.504 3.139 40 0 GGABMO CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224575168 570518862 /nfs/dbraw/zinc/51/88/62/570518862.db2.gz YCEUVGGQCXZIEP-HXUWFJFHSA-N 1 1 386.467 3.132 40 0 GGABMO Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000224574922 570518898 /nfs/dbraw/zinc/51/88/98/570518898.db2.gz ZLEDNFILLZNPND-IBGZPJMESA-N 1 1 382.504 3.219 40 0 GGABMO CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224572857 570518924 /nfs/dbraw/zinc/51/89/24/570518924.db2.gz GNJWREUFMVGTEQ-QFIPXVFZSA-N 1 1 398.503 3.001 40 0 GGABMO C[C@H](SCc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224706810 570526174 /nfs/dbraw/zinc/52/61/74/570526174.db2.gz YQYSSJZVETXIBV-SFHVURJKSA-N 1 1 384.545 3.457 40 0 GGABMO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224739579 570528094 /nfs/dbraw/zinc/52/80/94/570528094.db2.gz XYBIROHEYRDWIZ-JOCHJYFZSA-N 1 1 398.503 3.001 40 0 GGABMO Cc1cccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1C ZINC000224738780 570528134 /nfs/dbraw/zinc/52/81/34/570528134.db2.gz LONUPQBEPQDJTF-IBGZPJMESA-N 1 1 382.504 3.219 40 0 GGABMO Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000224741528 570528800 /nfs/dbraw/zinc/52/88/00/570528800.db2.gz LXGRZEAUTNKXTB-IBGZPJMESA-N 1 1 382.504 3.219 40 0 GGABMO CC(C)c1ccccc1OCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224751415 570528886 /nfs/dbraw/zinc/52/88/86/570528886.db2.gz MUWNIYDWNXBADK-UHFFFAOYSA-N 1 1 382.504 3.337 40 0 GGABMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000920683 570536674 /nfs/dbraw/zinc/53/66/74/570536674.db2.gz TYGAZYQOPLMLGI-MRXNPFEDSA-N 1 1 393.553 3.111 40 0 GGABMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000920683 570536676 /nfs/dbraw/zinc/53/66/76/570536676.db2.gz TYGAZYQOPLMLGI-MRXNPFEDSA-N 1 1 393.553 3.111 40 0 GGABMO COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH+](C)CC3)o2)cc1 ZINC000224912169 570537659 /nfs/dbraw/zinc/53/76/59/570537659.db2.gz YJEHVDLDHYRHOI-UHFFFAOYSA-N 1 1 377.444 3.405 40 0 GGABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000000930086 570540223 /nfs/dbraw/zinc/54/02/23/570540223.db2.gz VICHCFPKUSUQNO-HNAYVOBHSA-N 1 1 394.523 3.399 40 0 GGABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000000930086 570540224 /nfs/dbraw/zinc/54/02/24/570540224.db2.gz VICHCFPKUSUQNO-HNAYVOBHSA-N 1 1 394.523 3.399 40 0 GGABMO O=c1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c2cc3c(cc2o1)CCC3 ZINC000035120711 570549858 /nfs/dbraw/zinc/54/98/58/570549858.db2.gz ORMVGDXWHFURNS-HNAYVOBHSA-N 1 1 388.467 3.063 40 0 GGABMO COc1cc(NC(=S)NCCNc2cc[nH+]c3cc(Cl)ccc23)ncn1 ZINC000225219655 570557767 /nfs/dbraw/zinc/55/77/67/570557767.db2.gz JIMBDELFMZAJPT-UHFFFAOYSA-N 1 1 388.884 3.085 40 0 GGABMO Cc1nn(-c2ccccc2)nc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000022869858 570558397 /nfs/dbraw/zinc/55/83/97/570558397.db2.gz NSIUFFDGUCSMOS-GOSISDBHSA-N 1 1 383.883 3.262 40 0 GGABMO Cc1nccn1Cc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000225298204 570562844 /nfs/dbraw/zinc/56/28/44/570562844.db2.gz IVNIZRQWFPHMDE-UHFFFAOYSA-N 1 1 388.515 3.418 40 0 GGABMO COc1ccccc1OC[C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000225299332 570563087 /nfs/dbraw/zinc/56/30/87/570563087.db2.gz YSFNTWIFYFKQEC-INIZCTEOSA-N 1 1 379.460 3.446 40 0 GGABMO COc1ccc(OC)c([C@@H](O)C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000036743858 570569788 /nfs/dbraw/zinc/56/97/88/570569788.db2.gz KDLZQJVMWAZXRU-YWZLYKJASA-N 1 1 381.476 3.493 40 0 GGABMO COc1ccc(OC)c([C@H](O)C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000036743856 570569858 /nfs/dbraw/zinc/56/98/58/570569858.db2.gz KDLZQJVMWAZXRU-MGPUTAFESA-N 1 1 381.476 3.493 40 0 GGABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(C(=O)N(C)C)cc1 ZINC000225451631 570575309 /nfs/dbraw/zinc/57/53/09/570575309.db2.gz RGJXWPWERIIDOJ-UHFFFAOYSA-N 1 1 393.516 3.369 40 0 GGABMO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000022925242 570580521 /nfs/dbraw/zinc/58/05/21/570580521.db2.gz MEANXMSJBUAAKA-FGZHOGPDSA-N 1 1 397.494 3.302 40 0 GGABMO CC[N@@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)C1C2CC3CC(C2)CC1C3 ZINC000040072417 570595963 /nfs/dbraw/zinc/59/59/63/570595963.db2.gz WJALJXNPZVKLPF-UHFFFAOYSA-N 1 1 391.519 3.228 40 0 GGABMO COC(=O)c1ccc(C)c(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000225728554 570609729 /nfs/dbraw/zinc/60/97/29/570609729.db2.gz ZURHQQAQLOFOGN-GASCZTMLSA-N 1 1 377.554 3.436 40 0 GGABMO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000225730962 570610138 /nfs/dbraw/zinc/61/01/38/570610138.db2.gz DVXWJKPZDKFZKC-OAQYLSRUSA-N 1 1 378.513 3.322 40 0 GGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2ccc(C(=O)N(C)C)cc2)C1 ZINC000225731500 570610695 /nfs/dbraw/zinc/61/06/95/570610695.db2.gz RZXPCMDJOGAGEY-IYBDPMFKSA-N 1 1 376.570 3.043 40 0 GGABMO COc1ccc2[nH]c(=O)c(CNC3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000004132798 570617854 /nfs/dbraw/zinc/61/78/54/570617854.db2.gz BBQDUFHVGYDWPS-UHFFFAOYSA-N 1 1 377.488 3.291 40 0 GGABMO COc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000044908725 570642226 /nfs/dbraw/zinc/64/22/26/570642226.db2.gz DBVWIKZKCUPEJB-MRXNPFEDSA-N 1 1 379.460 3.446 40 0 GGABMO C[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047276240 570653673 /nfs/dbraw/zinc/65/36/73/570653673.db2.gz FZIYSDJMYSHBEH-INIZCTEOSA-N 1 1 388.895 3.256 40 0 GGABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-n2cccc2)cc1 ZINC000024986455 570661373 /nfs/dbraw/zinc/66/13/73/570661373.db2.gz HSPVSYLNVSGCCB-UHFFFAOYSA-N 1 1 375.472 3.240 40 0 GGABMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CNC(=O)c1ccc(F)cc1 ZINC000036390834 570673339 /nfs/dbraw/zinc/67/33/39/570673339.db2.gz GTZMUWKXXGRAOA-KRWDZBQOSA-N 1 1 397.494 3.246 40 0 GGABMO C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@@H](C[NH+]1CCOCC1)C2=O ZINC000245240247 570699045 /nfs/dbraw/zinc/69/90/45/570699045.db2.gz OXMJWUNKEJJKIF-PVPLWULDSA-N 1 1 387.564 3.438 40 0 GGABMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000056299280 570699721 /nfs/dbraw/zinc/69/97/21/570699721.db2.gz DTQLZFHMDSSIPS-UHFFFAOYSA-N 1 1 391.393 3.345 40 0 GGABMO Cc1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOc2ncccc2F)no1 ZINC000247903099 570717045 /nfs/dbraw/zinc/71/70/45/570717045.db2.gz JCURNJHLVSIJNP-MRXNPFEDSA-N 1 1 375.444 3.357 40 0 GGABMO c1ccc([C@@]23CN(Cc4cccnc4)C[C@H]2C[N@@H+](C[C@H]2CCOC2)CC3)cc1 ZINC000247913146 570717255 /nfs/dbraw/zinc/71/72/55/570717255.db2.gz LYRWXWTWHFHLNQ-GMKZXUHWSA-N 1 1 377.532 3.194 40 0 GGABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]21 ZINC000248074461 570720552 /nfs/dbraw/zinc/72/05/52/570720552.db2.gz BRJDUKLTBJHYQP-CWFSZBLJSA-N 1 1 392.496 3.340 40 0 GGABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]21 ZINC000248074459 570720565 /nfs/dbraw/zinc/72/05/65/570720565.db2.gz BRJDUKLTBJHYQP-CDHQVMDDSA-N 1 1 392.496 3.340 40 0 GGABMO COc1cc(OC)c(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1OC ZINC000025461433 570754609 /nfs/dbraw/zinc/75/46/09/570754609.db2.gz XLOOZPNOTAXZBC-UHFFFAOYSA-N 1 1 398.503 3.279 40 0 GGABMO O=S(=O)(c1ccccc1)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2CC1CCOCC1 ZINC000257215820 570762164 /nfs/dbraw/zinc/76/21/64/570762164.db2.gz CRULNDTXOPDGMU-NHCUHLMSSA-N 1 1 392.565 3.121 40 0 GGABMO CN(C)c1cncc([C@H]2CCC[N@@H+]2Cc2cccc(Oc3ncccn3)c2)n1 ZINC000257216266 570762198 /nfs/dbraw/zinc/76/21/98/570762198.db2.gz CTTCVHGSQLBBKL-LJQANCHMSA-N 1 1 376.464 3.462 40 0 GGABMO CN(C)c1cncc([C@H]2CCC[N@H+]2Cc2cccc(Oc3ncccn3)c2)n1 ZINC000257216266 570762201 /nfs/dbraw/zinc/76/22/01/570762201.db2.gz CTTCVHGSQLBBKL-LJQANCHMSA-N 1 1 376.464 3.462 40 0 GGABMO Cc1ccsc1C[N@@H+]1CCO[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257238286 570767418 /nfs/dbraw/zinc/76/74/18/570767418.db2.gz HKIGKBGOMBINFE-IBGZPJMESA-N 1 1 394.924 3.235 40 0 GGABMO Cc1ccsc1C[N@H+]1CCO[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257238286 570767420 /nfs/dbraw/zinc/76/74/20/570767420.db2.gz HKIGKBGOMBINFE-IBGZPJMESA-N 1 1 394.924 3.235 40 0 GGABMO Cc1ccsc1C[N@@H+]1CCC[C@@H](c2ccnc3c(C(=O)N(C)C)cnn32)C1 ZINC000257253807 570770609 /nfs/dbraw/zinc/77/06/09/570770609.db2.gz KAJALSVXLDNACM-OAHLLOKOSA-N 1 1 383.521 3.181 40 0 GGABMO CN(C)C(=O)c1cc(C[C@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)ncn1 ZINC000257268040 570772950 /nfs/dbraw/zinc/77/29/50/570772950.db2.gz MJZGKNRIBIJDFT-MRXNPFEDSA-N 1 1 377.492 3.114 40 0 GGABMO CCN1C(=O)CC[C@@H](C(=O)NCCCn2cc[nH+]c2C)[C@@H]1c1ccc(C)cc1 ZINC000257278140 570774480 /nfs/dbraw/zinc/77/44/80/570774480.db2.gz OAZDSQQOJCJTLJ-CTNGQTDRSA-N 1 1 382.508 3.006 40 0 GGABMO C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cncnc1 ZINC000257280277 570774891 /nfs/dbraw/zinc/77/48/91/570774891.db2.gz OKHILUPOBBYRHF-HVJVJISESA-N 1 1 376.504 3.175 40 0 GGABMO Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=[NH+][C@H]2c1ccc(F)cc1 ZINC000009287535 570774890 /nfs/dbraw/zinc/77/48/90/570774890.db2.gz AOULWPKDGPEAAS-GOSISDBHSA-N 1 1 397.841 3.462 40 0 GGABMO O=C1N(CCc2ccccc2)CC=CC[C@@]12C[N@H+](Cc1ccc(F)cc1)CCO2 ZINC000257282994 570775398 /nfs/dbraw/zinc/77/53/98/570775398.db2.gz OWEWQLGJQDKRKX-XMMPIXPASA-N 1 1 394.490 3.428 40 0 GGABMO O=C1N(CCc2ccccc2)CC=CC[C@@]12C[N@@H+](Cc1ccc(F)cc1)CCO2 ZINC000257282994 570775400 /nfs/dbraw/zinc/77/54/00/570775400.db2.gz OWEWQLGJQDKRKX-XMMPIXPASA-N 1 1 394.490 3.428 40 0 GGABMO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)CN1CCCCC1 ZINC000257292672 570777014 /nfs/dbraw/zinc/77/70/14/570777014.db2.gz QMMWRSHIRJDBMS-QMDPOKHVSA-N 1 1 381.564 3.215 40 0 GGABMO COc1cccc2ccc(C[N@H+]3CCC[C@@H](c4n[nH]cc4C(=O)N(C)C)C3)nc21 ZINC000257301060 570778143 /nfs/dbraw/zinc/77/81/43/570778143.db2.gz RWVHZKJADJCHCV-MRXNPFEDSA-N 1 1 393.491 3.048 40 0 GGABMO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@H](OC)C2)cc1 ZINC000257308372 570779534 /nfs/dbraw/zinc/77/95/34/570779534.db2.gz TWMVYCLDQYGQPN-CTNGQTDRSA-N 1 1 376.497 3.074 40 0 GGABMO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@H](OC)C2)cc1 ZINC000257308372 570779540 /nfs/dbraw/zinc/77/95/40/570779540.db2.gz TWMVYCLDQYGQPN-CTNGQTDRSA-N 1 1 376.497 3.074 40 0 GGABMO CCc1[nH+]ccn1CC(=O)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000257312698 570779901 /nfs/dbraw/zinc/77/99/01/570779901.db2.gz UPEXWILBTNZDEX-UXHICEINSA-N 1 1 394.519 3.018 40 0 GGABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@H+]2Cc2cnn(C)c2)c1 ZINC000257317074 570780724 /nfs/dbraw/zinc/78/07/24/570780724.db2.gz VIGOXCUKGMKSND-ONTIZHBOSA-N 1 1 382.508 3.193 40 0 GGABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cnccn1)[C@H]2Cc1ccccc1 ZINC000257333239 570783063 /nfs/dbraw/zinc/78/30/63/570783063.db2.gz YAUBOSXNBZGKMI-XANJAXJYSA-N 1 1 376.504 3.175 40 0 GGABMO C[N@H+]1CCN(Cc2cnc3ccccc3n2)C[C@H](Cc2ccnc3cccnc23)C1 ZINC000257340831 570784661 /nfs/dbraw/zinc/78/46/61/570784661.db2.gz ZHRMWRDPIAWGSE-GOSISDBHSA-N 1 1 398.514 3.179 40 0 GGABMO CN1CC[N@H+](Cc2cnc3ccccc3n2)C[C@H](Cc2ccnc3cccnc23)C1 ZINC000257340831 570784663 /nfs/dbraw/zinc/78/46/63/570784663.db2.gz ZHRMWRDPIAWGSE-GOSISDBHSA-N 1 1 398.514 3.179 40 0 GGABMO CN1CC[N@@H+](Cc2cnc3ccccc3n2)C[C@H](Cc2ccnc3cccnc23)C1 ZINC000257340831 570784664 /nfs/dbraw/zinc/78/46/64/570784664.db2.gz ZHRMWRDPIAWGSE-GOSISDBHSA-N 1 1 398.514 3.179 40 0 GGABMO CC[C@H](Oc1ccccc1C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000176042062 570809452 /nfs/dbraw/zinc/80/94/52/570809452.db2.gz GCULQBNVLZLYGR-NRFANRHFSA-N 1 1 382.504 3.301 40 0 GGABMO CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000176041931 570809536 /nfs/dbraw/zinc/80/95/36/570809536.db2.gz DWGJDVPRQPOPEC-JOCHJYFZSA-N 1 1 382.504 3.301 40 0 GGABMO Cc1cccc(CSCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000014228975 570833598 /nfs/dbraw/zinc/83/35/98/570833598.db2.gz JBTVEBYIBJPPRG-UHFFFAOYSA-N 1 1 384.545 3.377 40 0 GGABMO COCCc1ncc(C[N@H+]2C[C@@H]3CCC[C@](O)(c4ccc(C)cc4)[C@H]3C2)cn1 ZINC000072340464 570880329 /nfs/dbraw/zinc/88/03/29/570880329.db2.gz XYJQAKXRIMJVLA-RRPUWOKSSA-N 1 1 381.520 3.094 40 0 GGABMO CCCn1cc(S(=O)(=O)N2C[C@@H]([N@@H+](C)CC)CC23CCCCC3)c(C)n1 ZINC000019703980 570897152 /nfs/dbraw/zinc/89/71/52/570897152.db2.gz LOLKXEKSGVBIRS-KRWDZBQOSA-N 1 1 382.574 3.019 40 0 GGABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)C[C@@H]1CCCCO1 ZINC000257276869 570900674 /nfs/dbraw/zinc/90/06/74/570900674.db2.gz NVLPHAYXPBTRJJ-BJLQDIEVSA-N 1 1 390.572 3.173 40 0 GGABMO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCCN2C(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000585100043 570923821 /nfs/dbraw/zinc/92/38/21/570923821.db2.gz DBSAFXSAXYTWOW-MDKPJZGXSA-N 1 1 375.513 3.064 40 0 GGABMO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCCN2C(=O)[C@H]2CCO[C@H]2C)CC1 ZINC000585100042 570924309 /nfs/dbraw/zinc/92/43/09/570924309.db2.gz DBSAFXSAXYTWOW-DJPFJPOOSA-N 1 1 375.513 3.064 40 0 GGABMO Cc1nnsc1C(=O)N1CCC[C@@]12CCC[N@H+](Cc1c(C)noc1C)CC2 ZINC000585100448 570924569 /nfs/dbraw/zinc/92/45/69/570924569.db2.gz KQJYERMLZWRJJY-LJQANCHMSA-N 1 1 389.525 3.112 40 0 GGABMO CN(C)C(=O)C[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(Cl)c(F)c1)CC2 ZINC000585100627 570924801 /nfs/dbraw/zinc/92/48/01/570924801.db2.gz QPJFCFHPDCCDER-HXUWFJFHSA-N 1 1 395.906 3.028 40 0 GGABMO Cc1c(C[N@H+]2CCC[C@@]3(CCC(=O)N3C[C@H]3CCCO3)CC2)nc2ccccn12 ZINC000585099847 570925807 /nfs/dbraw/zinc/92/58/07/570925807.db2.gz IMJAENNKHWJFGO-AUSIDOKSSA-N 1 1 396.535 3.169 40 0 GGABMO CC(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019454642 570925912 /nfs/dbraw/zinc/92/59/12/570925912.db2.gz XQWJSOZLVUMIMF-NRFANRHFSA-N 1 1 394.498 3.300 40 0 GGABMO CC(C)c1cc(C(=O)N2CCC[C@@]23CCC[N@@H+](C[C@@H]2CCCO2)CC3)no1 ZINC000585099933 570926313 /nfs/dbraw/zinc/92/63/13/570926313.db2.gz AKDNTXZIWYMOMO-LAUBAEHRSA-N 1 1 375.513 3.438 40 0 GGABMO Cc1nc(C)c(C[N@H+]2CCC[C@]3(CCC(=O)N3C[C@@H]3CCCO3)CC2)s1 ZINC000585099868 570926471 /nfs/dbraw/zinc/92/64/71/570926471.db2.gz NADIZGMIJNNFFP-PXNSSMCTSA-N 1 1 377.554 3.286 40 0 GGABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019500662 570926919 /nfs/dbraw/zinc/92/69/19/570926919.db2.gz XRTXEZCCIDCWAO-NRFANRHFSA-N 1 1 394.498 3.129 40 0 GGABMO COCC[N@H+]1CC[C@@]12CCCN(C(=O)c1ccc(N(C)C)c3ccccc13)C2 ZINC000585101949 570927476 /nfs/dbraw/zinc/92/74/76/570927476.db2.gz NCFARGVCDNVBRR-HSZRJFAPSA-N 1 1 381.520 3.233 40 0 GGABMO Cc1ccccc1OCC(=O)N1CCC[C@@]12CCC[N@@H+](C[C@H]1CCCO1)CC2 ZINC000585100786 570928171 /nfs/dbraw/zinc/92/81/71/570928171.db2.gz WPNLMIJJGCJYLI-NFBKMPQASA-N 1 1 386.536 3.400 40 0 GGABMO COCC[N@@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1cccc(C)c1)CC2)C(C)C ZINC000585102978 570931019 /nfs/dbraw/zinc/93/10/19/570931019.db2.gz ASERRBYLAHINDC-OAQYLSRUSA-N 1 1 388.552 3.363 40 0 GGABMO Cc1ccc(O)c(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@@H](C)C4)C3)CC2)c1 ZINC000585103043 570931714 /nfs/dbraw/zinc/93/17/14/570931714.db2.gz BQXLQJOMVTYREW-MOPGFXCFSA-N 1 1 386.536 3.444 40 0 GGABMO Cc1noc(C)c1CN1C[C@@]2(CC1=O)COCC[N@H+]([C@H](C)c1ccccc1)C2 ZINC000585104402 570933082 /nfs/dbraw/zinc/93/30/82/570933082.db2.gz LVKXYRWVRLCEEL-VGSWGCGISA-N 1 1 383.492 3.104 40 0 GGABMO Cc1ccc(C)c(C[N@H+]2CCOC[C@]3(CC(=O)N(Cc4cncs4)C3)C2)c1 ZINC000585104560 570933761 /nfs/dbraw/zinc/93/37/61/570933761.db2.gz QETYGXPWCLLTKD-OAQYLSRUSA-N 1 1 385.533 3.011 40 0 GGABMO O=C(NC1CCCCC1)c1nnc2n1CC[C@H]1C[N@H+](Cc3cccs3)C[C@@H]21 ZINC000306123549 570935701 /nfs/dbraw/zinc/93/57/01/570935701.db2.gz APXAUTMTNCXQES-WMLDXEAASA-N 1 1 385.537 3.021 40 0 GGABMO Cc1cc(C)cc(C[N@H+]2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306124876 570936262 /nfs/dbraw/zinc/93/62/62/570936262.db2.gz CBFFUPDRXUBHRK-FQEVSTJZSA-N 1 1 391.519 3.172 40 0 GGABMO Cc1ccc(C[N@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(CC2CC2)C3=O)s1 ZINC000306125910 570936877 /nfs/dbraw/zinc/93/68/77/570936877.db2.gz DFIXBSHSCKGPJO-IFMALSPDSA-N 1 1 397.544 3.059 40 0 GGABMO COc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccncc4)C2)OC3)cc1 ZINC000306127110 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COc1cccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccncc4)C2)OC3)c1 ZINC000306132550 570940425 /nfs/dbraw/zinc/94/04/25/570940425.db2.gz LLYMDWUXCPHUNB-JOCHJYFZSA-N 1 1 376.460 3.129 40 0 GGABMO CC[C@H](c1nnnn1Cc1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020141773 570941995 /nfs/dbraw/zinc/94/19/95/570941995.db2.gz VZXJNWVVTQCPDC-LJQANCHMSA-N 1 1 382.537 3.052 40 0 GGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccccn3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306135493 570942019 /nfs/dbraw/zinc/94/20/19/570942019.db2.gz OSRMFUITWKGIJI-REWPJTCUSA-N 1 1 393.535 3.087 40 0 GGABMO COCCn1ccnc1[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccccc21 ZINC000306135730 570942180 /nfs/dbraw/zinc/94/21/80/570942180.db2.gz OZBYLBIVFLOAAV-HXUWFJFHSA-N 1 1 391.471 3.406 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2N1Cc1ccccn1 ZINC000306136065 570942641 /nfs/dbraw/zinc/94/26/41/570942641.db2.gz PIDGHDGNJNXGFV-RTWAWAEBSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2N1Cc1ccccn1 ZINC000306136065 570942645 /nfs/dbraw/zinc/94/26/45/570942645.db2.gz PIDGHDGNJNXGFV-RTWAWAEBSA-N 1 1 376.435 3.104 40 0 GGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3nccs3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136297 570942661 /nfs/dbraw/zinc/94/26/61/570942661.db2.gz PPBBBUOZWTTXJD-UWJYYQICSA-N 1 1 399.564 3.149 40 0 GGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccoc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306137318 570943088 /nfs/dbraw/zinc/94/30/88/570943088.db2.gz QSPFZTCTYCSCOY-SIKLNZKXSA-N 1 1 382.508 3.285 40 0 GGABMO Cc1cccnc1C[N@@H+]1CCO[C@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 ZINC000306137991 570943358 /nfs/dbraw/zinc/94/33/58/570943358.db2.gz RLTMUXDFSWKQJP-RBBKRZOGSA-N 1 1 399.560 3.324 40 0 GGABMO Cc1cccnc1C[N@H+]1CCO[C@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 ZINC000306137991 570943362 /nfs/dbraw/zinc/94/33/62/570943362.db2.gz RLTMUXDFSWKQJP-RBBKRZOGSA-N 1 1 399.560 3.324 40 0 GGABMO Cc1cccnc1C[N@@H+]1CCO[C@]2(CCCC[C@H]2NC(=O)Cc2cccs2)C1 ZINC000306137989 570943375 /nfs/dbraw/zinc/94/33/75/570943375.db2.gz RLTMUXDFSWKQJP-IFMALSPDSA-N 1 1 399.560 3.324 40 0 GGABMO Cc1cccnc1C[N@H+]1CCO[C@]2(CCCC[C@H]2NC(=O)Cc2cccs2)C1 ZINC000306137989 570943377 /nfs/dbraw/zinc/94/33/77/570943377.db2.gz RLTMUXDFSWKQJP-IFMALSPDSA-N 1 1 399.560 3.324 40 0 GGABMO O=C(N1CCO[C@H](c2[nH+]cn3cc(-c4cccnc4)ccc23)C1)C1(F)CCC1 ZINC000585113141 570943713 /nfs/dbraw/zinc/94/37/13/570943713.db2.gz KEWWRQYMXKITHD-SFHVURJKSA-N 1 1 380.423 3.188 40 0 GGABMO CC(C)n1cnc([C@@H]2C[N@H+](C3CCC3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306138784 570943907 /nfs/dbraw/zinc/94/39/07/570943907.db2.gz SHLBBRFBZFMWTL-REWPJTCUSA-N 1 1 393.535 3.230 40 0 GGABMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CNC(=O)c1ccccc1F ZINC000032930746 570943961 /nfs/dbraw/zinc/94/39/61/570943961.db2.gz UAVUNBZLZUGFBI-QGZVFWFLSA-N 1 1 397.494 3.246 40 0 GGABMO Cc1ncsc1C[N@H+]1CC[C@@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306139293 570944339 /nfs/dbraw/zinc/94/43/39/570944339.db2.gz SUBZZNZMQCCMGA-NRFANRHFSA-N 1 1 377.517 3.405 40 0 GGABMO Cc1cccc(C[N@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)c1 ZINC000306140125 570944641 /nfs/dbraw/zinc/94/46/41/570944641.db2.gz UKQPJGOGXJKFSU-RBBKRZOGSA-N 1 1 393.512 3.151 40 0 GGABMO Cc1cccc(C[N@@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)c1 ZINC000306140125 570944645 /nfs/dbraw/zinc/94/46/45/570944645.db2.gz UKQPJGOGXJKFSU-RBBKRZOGSA-N 1 1 393.512 3.151 40 0 GGABMO Cc1ccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)s1 ZINC000306141062 570945272 /nfs/dbraw/zinc/94/52/72/570945272.db2.gz VKNXKYZFYSPAKG-CVEARBPZSA-N 1 1 393.516 3.205 40 0 GGABMO Cc1ccc(C[N@@H+]2C[C@H](c3ccnn3C)[C@]3(C2)CCCN(CC2CC2)C3=O)s1 ZINC000306141363 570945302 /nfs/dbraw/zinc/94/53/02/570945302.db2.gz VTCOIRAFQKYPJU-DENIHFKCSA-N 1 1 398.576 3.408 40 0 GGABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccoc4)C[C@H]32)cc1 ZINC000306141040 570945342 /nfs/dbraw/zinc/94/53/42/570945342.db2.gz VJONTMMXPDXXSC-NHCUHLMSSA-N 1 1 377.444 3.171 40 0 GGABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccoc4)C[C@H]32)cc1 ZINC000306141040 570945343 /nfs/dbraw/zinc/94/53/43/570945343.db2.gz VJONTMMXPDXXSC-NHCUHLMSSA-N 1 1 377.444 3.171 40 0 GGABMO Cc1ccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)s1 ZINC000306141064 570945392 /nfs/dbraw/zinc/94/53/92/570945392.db2.gz VKNXKYZFYSPAKG-HZPDHXFCSA-N 1 1 393.516 3.205 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306142815 570945787 /nfs/dbraw/zinc/94/57/87/570945787.db2.gz XKRACPUMPIDHHU-RTWAWAEBSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306142815 570945788 /nfs/dbraw/zinc/94/57/88/570945788.db2.gz XKRACPUMPIDHHU-RTWAWAEBSA-N 1 1 376.435 3.104 40 0 GGABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccsc3)C[C@H]1C2 ZINC000306142379 570945866 /nfs/dbraw/zinc/94/58/66/570945866.db2.gz WYCGDOUCNOMSHO-CABCVRRESA-N 1 1 397.479 3.035 40 0 GGABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccsc3)C[C@H]1C2 ZINC000306142381 570946012 /nfs/dbraw/zinc/94/60/12/570946012.db2.gz WYCGDOUCNOMSHO-HUUCEWRRSA-N 1 1 397.479 3.035 40 0 GGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccncc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306143467 570946217 /nfs/dbraw/zinc/94/62/17/570946217.db2.gz YCZUELUXYWMNCB-NFBKMPQASA-N 1 1 393.535 3.087 40 0 GGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccncc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306143470 570946298 /nfs/dbraw/zinc/94/62/98/570946298.db2.gz YCZUELUXYWMNCB-REWPJTCUSA-N 1 1 393.535 3.087 40 0 GGABMO COc1ncccc1C[N@H+]1CC[C@@]2(CN(Cc3ccccn3)c3cccnc32)C1 ZINC000306144944 570947099 /nfs/dbraw/zinc/94/70/99/570947099.db2.gz ZSWLBKXPRRIPAL-QHCPKHFHSA-N 1 1 387.487 3.044 40 0 GGABMO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)Nc1cccc(F)c1 ZINC000047262155 570950409 /nfs/dbraw/zinc/95/04/09/570950409.db2.gz XRGKQUPGXFOLHN-CYBMUJFWSA-N 1 1 390.846 3.163 40 0 GGABMO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1)Nc1cccc(F)c1 ZINC000047262155 570950411 /nfs/dbraw/zinc/95/04/11/570950411.db2.gz XRGKQUPGXFOLHN-CYBMUJFWSA-N 1 1 390.846 3.163 40 0 GGABMO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)Nc1cccc(F)c1 ZINC000047262154 570950538 /nfs/dbraw/zinc/95/05/38/570950538.db2.gz XRGKQUPGXFOLHN-ZDUSSCGKSA-N 1 1 390.846 3.163 40 0 GGABMO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1)Nc1cccc(F)c1 ZINC000047262154 570950540 /nfs/dbraw/zinc/95/05/40/570950540.db2.gz XRGKQUPGXFOLHN-ZDUSSCGKSA-N 1 1 390.846 3.163 40 0 GGABMO Cc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)cc1 ZINC000019210302 570960476 /nfs/dbraw/zinc/96/04/76/570960476.db2.gz XDLGXLBDJNXKAU-JOCHJYFZSA-N 1 1 394.494 3.272 40 0 GGABMO Cc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)cc1 ZINC000019210303 570960651 /nfs/dbraw/zinc/96/06/51/570960651.db2.gz XDLGXLBDJNXKAU-QFIPXVFZSA-N 1 1 394.494 3.272 40 0 GGABMO COCCOc1ccc(C[N@@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)cc1 ZINC000019216121 570961725 /nfs/dbraw/zinc/96/17/25/570961725.db2.gz KUGPKZZDXDPNAB-UNWVZKJWSA-N 1 1 382.504 3.145 40 0 GGABMO Cc1ccc(CN(CCC[NH+]2CCOCC2)Cc2c(C)nc3sccn23)o1 ZINC000019216425 570961854 /nfs/dbraw/zinc/96/18/54/570961854.db2.gz PRWRXYJQPHIACP-UHFFFAOYSA-N 1 1 388.537 3.330 40 0 GGABMO Cc1ccc(C[N@H+](CCCN2CCOCC2)Cc2c(C)nc3sccn23)o1 ZINC000019216425 570961855 /nfs/dbraw/zinc/96/18/55/570961855.db2.gz PRWRXYJQPHIACP-UHFFFAOYSA-N 1 1 388.537 3.330 40 0 GGABMO Cc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2c(C)nc3sccn23)o1 ZINC000019216425 570961856 /nfs/dbraw/zinc/96/18/56/570961856.db2.gz PRWRXYJQPHIACP-UHFFFAOYSA-N 1 1 388.537 3.330 40 0 GGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3CCCOc3cccc(C)c3)ncc2C1 ZINC000019235180 570965535 /nfs/dbraw/zinc/96/55/35/570965535.db2.gz OTOVFYJHYNOAKY-QFIPXVFZSA-N 1 1 394.519 3.296 40 0 GGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+]3CCCOc3cccc(C)c3)ncc2C1 ZINC000019235180 570965539 /nfs/dbraw/zinc/96/55/39/570965539.db2.gz OTOVFYJHYNOAKY-QFIPXVFZSA-N 1 1 394.519 3.296 40 0 GGABMO COc1c(C)cccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019235961 570966012 /nfs/dbraw/zinc/96/60/12/570966012.db2.gz DVWAANPTDJSYKB-BHYGNILZSA-N 1 1 391.466 3.498 40 0 GGABMO COc1c(C)cccc1C[N@@H+]1CCc2nc([C@@H]3CCCCN3C(C)=O)ncc2C1 ZINC000019235997 570966382 /nfs/dbraw/zinc/96/63/82/570966382.db2.gz HKIGVTKGKQIEIU-NRFANRHFSA-N 1 1 394.519 3.425 40 0 GGABMO COc1c(C)cccc1C[N@H+]1CCc2nc([C@@H]3CCCCN3C(C)=O)ncc2C1 ZINC000019235997 570966386 /nfs/dbraw/zinc/96/63/86/570966386.db2.gz HKIGVTKGKQIEIU-NRFANRHFSA-N 1 1 394.519 3.425 40 0 GGABMO COc1ccc(C[N@H+]2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCCC(=O)N3)cc1 ZINC000019236384 570966574 /nfs/dbraw/zinc/96/65/74/570966574.db2.gz SVUBJDGSJPMROS-NZQKXSOJSA-N 1 1 379.504 3.427 40 0 GGABMO COCCOc1cccc(C[N@@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C2)c1 ZINC000019237872 570967384 /nfs/dbraw/zinc/96/73/84/570967384.db2.gz IWCLMKXHRUZDCL-UNWVZKJWSA-N 1 1 382.504 3.145 40 0 GGABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCc2onc(Nc3ccccc3F)c2C1 ZINC000019287715 570970402 /nfs/dbraw/zinc/97/04/02/570970402.db2.gz YIDZBRUDXXLJIG-ZDUSSCGKSA-N 1 1 383.427 3.283 40 0 GGABMO COc1cccc(Nc2noc3c2CN(C(=O)[C@@H](C)Cn2cc[nH+]c2C)CC3)c1 ZINC000019287712 570970535 /nfs/dbraw/zinc/97/05/35/570970535.db2.gz POZHWAYTWUFMMT-AWEZNQCLSA-N 1 1 395.463 3.153 40 0 GGABMO Cc1[nH+]ccn1CCC(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019288049 570970636 /nfs/dbraw/zinc/97/06/36/570970636.db2.gz YTOBBRTYMAJRJC-FQEVSTJZSA-N 1 1 391.471 3.453 40 0 GGABMO Cn1cc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)c2ccccc21 ZINC000019290438 570971685 /nfs/dbraw/zinc/97/16/85/570971685.db2.gz QRCDGUYPVBWATB-UHFFFAOYSA-N 1 1 378.520 3.298 40 0 GGABMO [NH3+]CCn1nc([C@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C2)c2nccnc21 ZINC000019292837 570972743 /nfs/dbraw/zinc/97/27/43/570972743.db2.gz PYCHGPKPWFCXIM-ZDUSSCGKSA-N 1 1 391.306 3.081 40 0 GGABMO O=c1cc(-c2ccncc2)nc([C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)[nH]1 ZINC000019292734 570972837 /nfs/dbraw/zinc/97/28/37/570972837.db2.gz LOZXJQUIUIHNAY-INIZCTEOSA-N 1 1 382.414 3.490 40 0 GGABMO O=c1cc(-c2ccncc2)nc([C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)[nH]1 ZINC000019292734 570972839 /nfs/dbraw/zinc/97/28/39/570972839.db2.gz LOZXJQUIUIHNAY-INIZCTEOSA-N 1 1 382.414 3.490 40 0 GGABMO [NH3+]CCn1nc([C@@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C2)c2nccnc21 ZINC000019292835 570972861 /nfs/dbraw/zinc/97/28/61/570972861.db2.gz PYCHGPKPWFCXIM-CYBMUJFWSA-N 1 1 391.306 3.081 40 0 GGABMO Fc1cccc(Cl)c1C[N@H+]1CCC[C@H](Cn2nnc(-c3cccnc3)n2)C1 ZINC000019292583 570972871 /nfs/dbraw/zinc/97/28/71/570972871.db2.gz CHKORNKOBGENEL-AWEZNQCLSA-N 1 1 386.862 3.440 40 0 GGABMO C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025826573 570974164 /nfs/dbraw/zinc/97/41/64/570974164.db2.gz VWJXULOCPAFGMM-SFHVURJKSA-N 1 1 391.515 3.249 40 0 GGABMO Clc1ccc(-c2nc(NCCC[NH+]3CCOCC3)ncc2-c2ncc[nH]2)cc1 ZINC000019336451 570976669 /nfs/dbraw/zinc/97/66/69/570976669.db2.gz JXQRKLSPDDPMCC-UHFFFAOYSA-N 1 1 398.898 3.321 40 0 GGABMO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](Cc4ccoc4)CC3)CC2)n1 ZINC000252500795 570977084 /nfs/dbraw/zinc/97/70/84/570977084.db2.gz TVLPUXVDOLSJNU-UHFFFAOYSA-N 1 1 394.441 3.480 40 0 GGABMO c1ccc([C@H]2c3ccccc3CC[N@H+]2Cc2ccnc(N3CCOCC3)n2)cc1 ZINC000019370044 570980654 /nfs/dbraw/zinc/98/06/54/570980654.db2.gz CEXWUCFIYNSXAM-QHCPKHFHSA-N 1 1 386.499 3.461 40 0 GGABMO c1ccc([C@H]2c3ccccc3CC[N@@H+]2Cc2ccnc(N3CCOCC3)n2)cc1 ZINC000019370044 570980655 /nfs/dbraw/zinc/98/06/55/570980655.db2.gz CEXWUCFIYNSXAM-QHCPKHFHSA-N 1 1 386.499 3.461 40 0 GGABMO O=C1CCCN1c1ccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2C(=O)N3)cc1 ZINC000019375239 570981949 /nfs/dbraw/zinc/98/19/49/570981949.db2.gz NZKUPYGJFPBIMJ-DEOSSOPVSA-N 1 1 389.499 3.134 40 0 GGABMO O=C(C[NH+]1CCCCC1)N1CCC[C@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000019376440 570982151 /nfs/dbraw/zinc/98/21/51/570982151.db2.gz URTMBKDDJZTEIY-SFHVURJKSA-N 1 1 391.475 3.434 40 0 GGABMO O=c1cc([C@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)nc(-c2ccccn2)[nH]1 ZINC000019402767 570982903 /nfs/dbraw/zinc/98/29/03/570982903.db2.gz NFVSKUNPNIEMCV-HNNXBMFYSA-N 1 1 382.414 3.490 40 0 GGABMO CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccccc3)[nH]c2=O)C1 ZINC000019448349 570985068 /nfs/dbraw/zinc/98/50/68/570985068.db2.gz SUXAQBFTXASRER-FQEVSTJZSA-N 1 1 394.519 3.245 40 0 GGABMO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@@H]2N ZINC000019450009 570985165 /nfs/dbraw/zinc/98/51/65/570985165.db2.gz XJFHNPBCUIAJSU-WPFOTENUSA-N 1 1 377.532 3.276 40 0 GGABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@@H]2N ZINC000019450009 570985166 /nfs/dbraw/zinc/98/51/66/570985166.db2.gz XJFHNPBCUIAJSU-WPFOTENUSA-N 1 1 377.532 3.276 40 0 GGABMO CC(C)c1ccccc1OCC(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019453375 570986188 /nfs/dbraw/zinc/98/61/88/570986188.db2.gz MHOPVPASRMACIK-FQEVSTJZSA-N 1 1 394.519 3.330 40 0 GGABMO CC(C)c1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cn1 ZINC000019454050 570986468 /nfs/dbraw/zinc/98/64/68/570986468.db2.gz MXSJMMWZFVEEAY-SFHVURJKSA-N 1 1 396.539 3.053 40 0 GGABMO CCn1cc(-c2cc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)c3ccccc3n2)cn1 ZINC000002809127 570989328 /nfs/dbraw/zinc/98/93/28/570989328.db2.gz GZPNMZRZDTZDOD-KRWDZBQOSA-N 1 1 375.476 3.038 40 0 GGABMO CC(C)c1ccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000019497582 570990298 /nfs/dbraw/zinc/99/02/98/570990298.db2.gz IGMNMCBHPSQMMP-CALCHBBNSA-N 1 1 396.535 3.478 40 0 GGABMO CC(C)c1ccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000019497582 570990303 /nfs/dbraw/zinc/99/03/03/570990303.db2.gz IGMNMCBHPSQMMP-CALCHBBNSA-N 1 1 396.535 3.478 40 0 GGABMO CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019498843 570991587 /nfs/dbraw/zinc/99/15/87/570991587.db2.gz FYBQLHJBNGIYEG-QGZVFWFLSA-N 1 1 386.521 3.266 40 0 GGABMO CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019498843 570991590 /nfs/dbraw/zinc/99/15/90/570991590.db2.gz FYBQLHJBNGIYEG-QGZVFWFLSA-N 1 1 386.521 3.266 40 0 GGABMO CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019499404 570991742 /nfs/dbraw/zinc/99/17/42/570991742.db2.gz UFQHEYFSDRQJJR-RBUKOAKNSA-N 1 1 398.482 3.125 40 0 GGABMO CCOc1ccccc1C(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019520090 570993673 /nfs/dbraw/zinc/99/36/73/570993673.db2.gz UNXCDBPNZCCAFQ-IBGZPJMESA-N 1 1 380.492 3.231 40 0 GGABMO CCOc1cc2c(cc1C[N@H+]1CCC[C@@H](c3nc(C)c(CC)c(=O)[nH]3)C1)OCO2 ZINC000019521544 570994659 /nfs/dbraw/zinc/99/46/59/570994659.db2.gz PWDVRBLSZKEKAY-OAHLLOKOSA-N 1 1 399.491 3.148 40 0 GGABMO CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1C ZINC000019523858 570995752 /nfs/dbraw/zinc/99/57/52/570995752.db2.gz LUXUKFMKJKHYDW-INIZCTEOSA-N 1 1 380.496 3.214 40 0 GGABMO CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1C ZINC000019523858 570995755 /nfs/dbraw/zinc/99/57/55/570995755.db2.gz LUXUKFMKJKHYDW-INIZCTEOSA-N 1 1 380.496 3.214 40 0 GGABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccccn1)Cc1cc2c(cc1OC)OCO2 ZINC000019527156 570997823 /nfs/dbraw/zinc/99/78/23/570997823.db2.gz YOJZMQYDOVBCSR-IBGZPJMESA-N 1 1 383.492 3.305 40 0 GGABMO CC[N@H+]1CCC[C@@H]1CNCc1nc(-c2ccc(-c3ccnc(C)n3)cc2)no1 ZINC000019527264 570998185 /nfs/dbraw/zinc/99/81/85/570998185.db2.gz MDPSKVFBDMGNIN-GOSISDBHSA-N 1 1 378.480 3.076 40 0 GGABMO CCOc1ncc(C2(O)CC[NH+](Cc3ccccc3Cl)CC2)c(OCC)n1 ZINC000019531747 570998505 /nfs/dbraw/zinc/99/85/05/570998505.db2.gz SINDDDAGHRSDBO-UHFFFAOYSA-N 1 1 391.899 3.411 40 0 GGABMO CCOCc1cc(C[N@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)ccc1OC ZINC000019531180 570998856 /nfs/dbraw/zinc/99/88/56/570998856.db2.gz ZHOAVMRINDBJBS-UHFFFAOYSA-N 1 1 385.508 3.039 40 0 GGABMO COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)C[N@H+]2Cc1ccccc1 ZINC000585176330 570999184 /nfs/dbraw/zinc/99/91/84/570999184.db2.gz AAMHDPSJTWLJQK-YPAWHYETSA-N 1 1 382.479 3.289 40 0 GGABMO CCOc1ccc(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1 ZINC000019533000 570999277 /nfs/dbraw/zinc/99/92/77/570999277.db2.gz ZIQABEZMVAWCLD-NRFANRHFSA-N 1 1 394.519 3.160 40 0 GGABMO Cc1ccc(OCCC[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C ZINC000025924921 570999844 /nfs/dbraw/zinc/99/98/44/570999844.db2.gz ZYZLMESTDZGZDF-QGZVFWFLSA-N 1 1 376.522 3.413 40 0 GGABMO CCOc1ccc(CCC(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1 ZINC000019533131 570999895 /nfs/dbraw/zinc/99/98/95/570999895.db2.gz GQZQGUAIEYTBPX-NRFANRHFSA-N 1 1 394.519 3.160 40 0 GGABMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)cc(C(=O)N(C)C)n1 ZINC000585182558 571000141 /nfs/dbraw/zinc/00/01/41/571000141.db2.gz OJPAONOIILQJBI-QGZVFWFLSA-N 1 1 391.519 3.423 40 0 GGABMO Cc1c(C[N@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)cnn1Cc1ccccc1 ZINC000019554533 571002462 /nfs/dbraw/zinc/00/24/62/571002462.db2.gz LBXWALVJEYWHNK-UHFFFAOYSA-N 1 1 391.519 3.047 40 0 GGABMO COc1ccc(C[N@@H+](Cc2ccnc(N3CCCC3)n2)C[C@H]2CCCO2)cc1 ZINC000019554821 571002886 /nfs/dbraw/zinc/00/28/86/571002886.db2.gz PZHJKUODNBUNJC-OAQYLSRUSA-N 1 1 382.508 3.267 40 0 GGABMO COc1ccc(C[N@H+](Cc2ccnc(N3CCCC3)n2)C[C@H]2CCCO2)cc1 ZINC000019554821 571002888 /nfs/dbraw/zinc/00/28/88/571002888.db2.gz PZHJKUODNBUNJC-OAQYLSRUSA-N 1 1 382.508 3.267 40 0 GGABMO C[C@@H](CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1N1CCOCC1)c1ccccc1 ZINC000053139982 571003645 /nfs/dbraw/zinc/00/36/45/571003645.db2.gz KGHCWUVTCYSXDY-PMACEKPBSA-N 1 1 395.547 3.263 40 0 GGABMO C[C@@H](CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1N1CCOCC1)c1ccccc1 ZINC000053139982 571003649 /nfs/dbraw/zinc/00/36/49/571003649.db2.gz KGHCWUVTCYSXDY-PMACEKPBSA-N 1 1 395.547 3.263 40 0 GGABMO COc1ccc2nc(C[N@H+]3C[C@@H]4CC[C@@](O)(c5ccccn5)[C@@H]4C3)ccc2c1 ZINC000019563709 571006356 /nfs/dbraw/zinc/00/63/56/571006356.db2.gz YKXZBHQTIBSNOT-WGGBDISSSA-N 1 1 375.472 3.368 40 0 GGABMO Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)C[C@@H]3C=CCC3)CC2)n(C)n1 ZINC000019562459 571006396 /nfs/dbraw/zinc/00/63/96/571006396.db2.gz YDRQWQMDJXPYER-MRXNPFEDSA-N 1 1 399.564 3.289 40 0 GGABMO Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)n(C)n1 ZINC000019562502 571006446 /nfs/dbraw/zinc/00/64/46/571006446.db2.gz YZVLWRJXDDTBQQ-UHFFFAOYSA-N 1 1 395.532 3.246 40 0 GGABMO Cc1cc(C)cc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCC[N@@H+]4C)ncc3C2)c1 ZINC000019569734 571009680 /nfs/dbraw/zinc/00/96/80/571009680.db2.gz VFGJUVDMAFNVAP-UTKZUKDTSA-N 1 1 394.519 3.212 40 0 GGABMO Cc1cc(C)cc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCC[N@H+]4C)ncc3C2)c1 ZINC000019569734 571009683 /nfs/dbraw/zinc/00/96/83/571009683.db2.gz VFGJUVDMAFNVAP-UTKZUKDTSA-N 1 1 394.519 3.212 40 0 GGABMO COc1ccnc(C[N@H+]2CCC[C@@H](c3ncncc3-c3ccncc3)C2)c1OC ZINC000019571936 571010275 /nfs/dbraw/zinc/01/02/75/571010275.db2.gz DPLUDKBPAAEQDI-QGZVFWFLSA-N 1 1 391.475 3.330 40 0 GGABMO Cc1oc2c(c1C(=O)N1CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C1)CCCC2 ZINC000019581225 571012897 /nfs/dbraw/zinc/01/28/97/571012897.db2.gz QVTBRZIWZQZOAM-INIZCTEOSA-N 1 1 394.519 3.265 40 0 GGABMO Cc1oc2c(c1C(=O)N1CCc3nc([C@@H]4CCC[N@H+](C)C4)ncc3C1)CCCC2 ZINC000019581269 571013235 /nfs/dbraw/zinc/01/32/35/571013235.db2.gz UVVNRHKICYOCEB-MRXNPFEDSA-N 1 1 394.519 3.265 40 0 GGABMO C[NH+](C)[C@H](CNC(=O)c1cc(C2CCOCC2)c2cnccc2n1)c1ccco1 ZINC000019581486 571013482 /nfs/dbraw/zinc/01/34/82/571013482.db2.gz OPDLDAZBPSNWCI-HXUWFJFHSA-N 1 1 394.475 3.150 40 0 GGABMO C[NH+](C)[C@@H](C(=O)N1CCC[C@H](C(=O)N2CCCCCC2)C1)c1ccc(F)cc1 ZINC000019581560 571013592 /nfs/dbraw/zinc/01/35/92/571013592.db2.gz VCJWYNHAHLJVET-AZUAARDMSA-N 1 1 389.515 3.070 40 0 GGABMO C[NH+](C)[C@H](C(=O)N1CCC[C@@H](C(=O)N2CCCCCC2)C1)c1ccc(F)cc1 ZINC000019581557 571013618 /nfs/dbraw/zinc/01/36/18/571013618.db2.gz VCJWYNHAHLJVET-QUCCMNQESA-N 1 1 389.515 3.070 40 0 GGABMO CN(C)c1ncccc1C[N@@H+]1CCCC[C@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019584136 571014810 /nfs/dbraw/zinc/01/48/10/571014810.db2.gz ZSIFDZUWAPYSOD-IBGZPJMESA-N 1 1 390.491 3.432 40 0 GGABMO CN(C)c1ncccc1C[N@H+]1CCCC[C@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019584136 571014811 /nfs/dbraw/zinc/01/48/11/571014811.db2.gz ZSIFDZUWAPYSOD-IBGZPJMESA-N 1 1 390.491 3.432 40 0 GGABMO COc1ccc(Cl)cc1C(=O)N1CCc2nc([C@H]3CCC[N@@H+]3C)ncc2C1 ZINC000019588798 571016380 /nfs/dbraw/zinc/01/63/80/571016380.db2.gz NPQGCJIGJUYGIR-QGZVFWFLSA-N 1 1 386.883 3.104 40 0 GGABMO COc1ccc(Cl)cc1C(=O)N1CCc2nc([C@H]3CCC[N@H+]3C)ncc2C1 ZINC000019588798 571016383 /nfs/dbraw/zinc/01/63/83/571016383.db2.gz NPQGCJIGJUYGIR-QGZVFWFLSA-N 1 1 386.883 3.104 40 0 GGABMO COc1ccccc1CC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCC[N@H+]2C ZINC000019589244 571016451 /nfs/dbraw/zinc/01/64/51/571016451.db2.gz ZHFVAPWVZZTGMJ-TXTKFYIRSA-N 1 1 382.479 3.466 40 0 GGABMO COc1cc(CN2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)cc(OC)c1 ZINC000019588994 571016478 /nfs/dbraw/zinc/01/64/78/571016478.db2.gz JGJOHQHJYKGJRZ-OAQYLSRUSA-N 1 1 382.508 3.209 40 0 GGABMO COc1cc(CN2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)cc(OC)c1 ZINC000019588994 571016482 /nfs/dbraw/zinc/01/64/82/571016482.db2.gz JGJOHQHJYKGJRZ-OAQYLSRUSA-N 1 1 382.508 3.209 40 0 GGABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)COC[C@H]1CCCO1 ZINC000019589088 571016552 /nfs/dbraw/zinc/01/65/52/571016552.db2.gz WLSCEJNLOBKRNO-SRUXOGRHSA-N 1 1 386.536 3.051 40 0 GGABMO COCCOc1cccc(CN2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019590340 571016881 /nfs/dbraw/zinc/01/68/81/571016881.db2.gz UOSPEUMGZRWXES-JOCHJYFZSA-N 1 1 396.535 3.217 40 0 GGABMO CN1CC[N@@H+](Cc2cccnc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019589560 571017374 /nfs/dbraw/zinc/01/73/74/571017374.db2.gz RICJWWFKHYCVPD-QHCPKHFHSA-N 1 1 386.499 3.277 40 0 GGABMO CN1CC[N@@H+](Cc2ccncc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019589464 571017518 /nfs/dbraw/zinc/01/75/18/571017518.db2.gz AATRAPUVBVFYTF-QHCPKHFHSA-N 1 1 386.499 3.277 40 0 GGABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)c4cc5cc(F)ccc5[nH]4)C3)ncc2C1 ZINC000019590439 571017733 /nfs/dbraw/zinc/01/77/33/571017733.db2.gz JHARVZIFONIOCS-AWEZNQCLSA-N 1 1 393.466 3.105 40 0 GGABMO COc1ccc2oc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[N@H+](C)C4)cc2c1 ZINC000019590546 571017766 /nfs/dbraw/zinc/01/77/66/571017766.db2.gz BALADKLDQQAWHU-GOSISDBHSA-N 1 1 392.459 3.197 40 0 GGABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)CCc4ccc(Cl)cc4)C3)ncc2C1 ZINC000019590389 571017997 /nfs/dbraw/zinc/01/79/97/571017997.db2.gz NBZYYYBFGOKVBT-KRWDZBQOSA-N 1 1 398.938 3.457 40 0 GGABMO C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3csc4c3CCCC4)ncc2C1 ZINC000019590564 571018131 /nfs/dbraw/zinc/01/81/31/571018131.db2.gz AKCWLPFZAWDETJ-SFHVURJKSA-N 1 1 382.533 3.382 40 0 GGABMO C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3csc4c3CCCC4)ncc2C1 ZINC000019590565 571018150 /nfs/dbraw/zinc/01/81/50/571018150.db2.gz AKCWLPFZAWDETJ-GOSISDBHSA-N 1 1 382.533 3.382 40 0 GGABMO C[N@H+]1CCc2nc(C3CCN(C(=O)c4cc5ccc(F)cc5[nH]4)CC3)ncc2C1 ZINC000019590690 571018707 /nfs/dbraw/zinc/01/87/07/571018707.db2.gz OFSCWLBIWKGEOT-UHFFFAOYSA-N 1 1 393.466 3.105 40 0 GGABMO C[N@H+]1CCc2nc(C3CCN(C(=O)c4cc5c(s4)CCCC5)CC3)ncc2C1 ZINC000019590689 571018722 /nfs/dbraw/zinc/01/87/22/571018722.db2.gz LTFLPCJLACKNIN-UHFFFAOYSA-N 1 1 396.560 3.425 40 0 GGABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019591778 571019220 /nfs/dbraw/zinc/01/92/20/571019220.db2.gz SALQNXCYIWIOGK-XMMPIXPASA-N 1 1 386.499 3.324 40 0 GGABMO CNc1ncc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@H+]3C)cn1 ZINC000019592365 571019674 /nfs/dbraw/zinc/01/96/74/571019674.db2.gz HMOBPTRQAGMPDM-ZCNNSNEGSA-N 1 1 379.508 3.001 40 0 GGABMO COCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)no1 ZINC000019593531 571019737 /nfs/dbraw/zinc/01/97/37/571019737.db2.gz CRRDFITZJVPTBY-OAHLLOKOSA-N 1 1 377.872 3.084 40 0 GGABMO COCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000019592965 571019880 /nfs/dbraw/zinc/01/98/80/571019880.db2.gz HHWOEUQPFDIODN-VAMGGRTRSA-N 1 1 388.508 3.350 40 0 GGABMO COCc1ccc(OC)c(CN2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)c1 ZINC000019594327 571020431 /nfs/dbraw/zinc/02/04/31/571020431.db2.gz FAUWFVHIEAYVJU-HXUWFJFHSA-N 1 1 382.504 3.278 40 0 GGABMO COc1ccc(-n2nc(C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)nc2C)cc1 ZINC000019658532 571024521 /nfs/dbraw/zinc/02/45/21/571024521.db2.gz XTPVMAIORRUPST-UHFFFAOYSA-N 1 1 388.431 3.331 40 0 GGABMO Cc1nn(C)cc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000019658876 571024816 /nfs/dbraw/zinc/02/48/16/571024816.db2.gz SNGKCVUQFCHULR-KRWDZBQOSA-N 1 1 394.523 3.477 40 0 GGABMO Cc1nn(C)cc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000019658876 571024819 /nfs/dbraw/zinc/02/48/19/571024819.db2.gz SNGKCVUQFCHULR-KRWDZBQOSA-N 1 1 394.523 3.477 40 0 GGABMO O=C(C[N@@H+]1CCC[C@H](c2ccc(-c3cc[nH]n3)cn2)C1)Nc1ccc(F)cc1 ZINC000019688627 571028726 /nfs/dbraw/zinc/02/87/26/571028726.db2.gz FSWJJDRENPMKSO-INIZCTEOSA-N 1 1 379.439 3.429 40 0 GGABMO O=C(C[N@H+]1CCC[C@H](c2ccc(-c3cc[nH]n3)cn2)C1)Nc1ccc(F)cc1 ZINC000019688627 571028728 /nfs/dbraw/zinc/02/87/28/571028728.db2.gz FSWJJDRENPMKSO-INIZCTEOSA-N 1 1 379.439 3.429 40 0 GGABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2ccc(Cc3cccc(F)c3)cn2)CC1 ZINC000019690509 571029190 /nfs/dbraw/zinc/02/91/90/571029190.db2.gz OXCJRRSIZYDTOS-QGZVFWFLSA-N 1 1 399.510 3.142 40 0 GGABMO CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000019693971 571029705 /nfs/dbraw/zinc/02/97/05/571029705.db2.gz GEQPNCXNYJNRFU-LJQANCHMSA-N 1 1 376.508 3.323 40 0 GGABMO CC(=O)N1CCC[C@H]1c1cc(N2CCN(CCc3ccccc3)CC2)cc(C)[nH+]1 ZINC000019698266 571030452 /nfs/dbraw/zinc/03/04/52/571030452.db2.gz KGPKQACOHFFDBR-DEOSSOPVSA-N 1 1 392.547 3.438 40 0 GGABMO Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)CCc2ccccc2)[nH+]1 ZINC000019698139 571030519 /nfs/dbraw/zinc/03/05/19/571030519.db2.gz KUROQAUGZWUPNZ-QHCPKHFHSA-N 1 1 392.547 3.438 40 0 GGABMO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CC[N@H+](Cc1ccccc1C)C2 ZINC000019707365 571032796 /nfs/dbraw/zinc/03/27/96/571032796.db2.gz YDIRUJHTDNEKMT-HXUWFJFHSA-N 1 1 379.508 3.068 40 0 GGABMO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CC[N@@H+](Cc1ccccc1C)C2 ZINC000019707365 571032799 /nfs/dbraw/zinc/03/27/99/571032799.db2.gz YDIRUJHTDNEKMT-HXUWFJFHSA-N 1 1 379.508 3.068 40 0 GGABMO Cc1nc(C2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)nc2c1CCCN2C ZINC000019706652 571032819 /nfs/dbraw/zinc/03/28/19/571032819.db2.gz FAPQCOQSDWBRRM-UHFFFAOYSA-N 1 1 399.583 3.138 40 0 GGABMO Cc1nc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)nc2c1CCCN2CC1CC1 ZINC000019706941 571032824 /nfs/dbraw/zinc/03/28/24/571032824.db2.gz IFTPFQMECDZHIJ-LJQANCHMSA-N 1 1 380.540 3.061 40 0 GGABMO CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CC[N@H+](Cc1cccc(C)c1)C2 ZINC000019708843 571033318 /nfs/dbraw/zinc/03/33/18/571033318.db2.gz VOROOMOMXZIUQG-IBGZPJMESA-N 1 1 393.535 3.111 40 0 GGABMO CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CC[N@@H+](Cc1cccc(C)c1)C2 ZINC000019708843 571033321 /nfs/dbraw/zinc/03/33/21/571033321.db2.gz VOROOMOMXZIUQG-IBGZPJMESA-N 1 1 393.535 3.111 40 0 GGABMO Cn1nc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)cc1C[NH+](C)C ZINC000019709192 571033649 /nfs/dbraw/zinc/03/36/49/571033649.db2.gz VTORESRRLFUTNT-FQEVSTJZSA-N 1 1 383.471 3.470 40 0 GGABMO CCOc1ccc(CC(=O)N2CCCC[C@H]2c2cc(C[NH+](C)C)n(C)n2)cc1 ZINC000019709124 571033857 /nfs/dbraw/zinc/03/38/57/571033857.db2.gz FPKHPMVTOCAPJZ-NRFANRHFSA-N 1 1 384.524 3.177 40 0 GGABMO Cc1noc2nc(C)cc(C(=O)N[C@H](CC[NH+]3CCOCC3)c3ccccc3)c12 ZINC000019715880 571037777 /nfs/dbraw/zinc/03/77/77/571037777.db2.gz KCTNYOSPDPNWJQ-LJQANCHMSA-N 1 1 394.475 3.033 40 0 GGABMO O=C(N[C@H](CC[NH+]1CCOCC1)c1ccccc1)c1cn2cc(Cl)ccc2n1 ZINC000019716771 571038694 /nfs/dbraw/zinc/03/86/94/571038694.db2.gz XBNRLMATZSQGST-GOSISDBHSA-N 1 1 398.894 3.181 40 0 GGABMO O=c1ccc(-c2cccs2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(CO)o2)C1 ZINC000020503398 575369761 /nfs/dbraw/zinc/36/97/61/575369761.db2.gz UWRIGYQVQUDSDT-LSDHHAIUSA-N 1 1 382.485 3.281 40 0 biogenic,in-vitro GGABMO CC[N@@H+](CC(=O)NC(C)(C)C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000003332241 1398335291 /nfs/dbraw/zinc/33/52/91/1398335291.db2.gz LFNUTNWCYNIFER-HXUWFJFHSA-N 1 1 384.520 3.330 40 0 GGABMO CC[N@H+](CC(=O)NC(C)(C)C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000003332241 1398335303 /nfs/dbraw/zinc/33/53/03/1398335303.db2.gz LFNUTNWCYNIFER-HXUWFJFHSA-N 1 1 384.520 3.330 40 0 GGABMO O=C(CCCC(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)NCCc1ccccc1 ZINC000004043494 1398377462 /nfs/dbraw/zinc/37/74/62/1398377462.db2.gz LHXXHIFSPFJUIS-LEWJYISDSA-N 1 1 386.536 3.323 40 0 biogenic GGABMO CCOC(=O)[C@]1(C[C@H]2CC(c3ccccc3C)=NO2)CCC[N@H+](CC(C)=O)C1 ZINC000012157130 1399031031 /nfs/dbraw/zinc/03/10/31/1399031031.db2.gz PUFWNYIRQSBAGQ-GCJKJVERSA-N 1 1 386.492 3.112 40 0 GGABMO CCOC(=O)[C@]1(C[C@H]2CC(c3ccccc3C)=NO2)CCC[N@@H+](CC(C)=O)C1 ZINC000012157130 1399031036 /nfs/dbraw/zinc/03/10/36/1399031036.db2.gz PUFWNYIRQSBAGQ-GCJKJVERSA-N 1 1 386.492 3.112 40 0 GGABMO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)C2CCCC2)n1 ZINC000019698704 1399334962 /nfs/dbraw/zinc/33/49/62/1399334962.db2.gz MIUYBWPSCFUXNQ-GOSISDBHSA-N 1 1 393.535 3.409 40 0 GGABMO CC(=O)N1CCN(c2cc(C)nc([C@@H]3CC[N@H+](Cc4ccccc4F)C3)c2)CC1 ZINC000019705384 1399335363 /nfs/dbraw/zinc/33/53/63/1399335363.db2.gz FPIXJEYOICAEQX-HXUWFJFHSA-N 1 1 396.510 3.187 40 0 GGABMO CC(=O)N1CCN(c2cc(C)nc([C@@H]3CC[N@@H+](Cc4ccccc4F)C3)c2)CC1 ZINC000019705384 1399335364 /nfs/dbraw/zinc/33/53/64/1399335364.db2.gz FPIXJEYOICAEQX-HXUWFJFHSA-N 1 1 396.510 3.187 40 0 GGABMO c1cc(OC2CCCC2)ccc1CN1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1 ZINC000019706339 1399335724 /nfs/dbraw/zinc/33/57/24/1399335724.db2.gz XKDGJFSUGYXXSZ-HXUWFJFHSA-N 1 1 381.524 3.082 40 0 GGABMO CNc1ncccc1C[N@H+]1C[C@@H](c2cccc(F)c2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712848 1399336620 /nfs/dbraw/zinc/33/66/20/1399336620.db2.gz KLTJZZAVYKTTDF-ZVDOUQERSA-N 1 1 382.483 3.289 40 0 GGABMO Cc1nc(CSc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)cs1 ZINC000027689647 1400077060 /nfs/dbraw/zinc/07/70/60/1400077060.db2.gz UZLKQHLIKGTAKX-UHFFFAOYSA-N 1 1 391.562 3.196 40 0 GGABMO COc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc3c(c2)OCO3)c1 ZINC000027698430 1400078688 /nfs/dbraw/zinc/07/86/88/1400078688.db2.gz WSICZVRNVGXDJL-YQQQUEKLSA-N 1 1 394.471 3.349 40 0 GGABMO Cc1cc(C)n(C2=[NH+]c3sc4c(c3[C@H](NC[C@H]3CCCO3)N2)CCCC4)n1 ZINC000028286507 1400147361 /nfs/dbraw/zinc/14/73/61/1400147361.db2.gz SYQLRZZLESEJIG-RDTXWAMCSA-N 1 1 385.537 3.346 40 0 GGABMO Cc1ccc(-c2cc(C[N@@H+](C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)on2)cc1 ZINC000029703483 1400339738 /nfs/dbraw/zinc/33/97/38/1400339738.db2.gz QXHLCEJYNLKZIB-HNNXBMFYSA-N 1 1 385.489 3.490 40 0 GGABMO Cc1ccc(-c2cc(C[N@H+](C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)on2)cc1 ZINC000029703483 1400339741 /nfs/dbraw/zinc/33/97/41/1400339741.db2.gz QXHLCEJYNLKZIB-HNNXBMFYSA-N 1 1 385.489 3.490 40 0 GGABMO COc1cc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)cc(OC)c1OC ZINC000060510080 1407993870 /nfs/dbraw/zinc/99/38/70/1407993870.db2.gz RZQFFVUCOQHHBQ-PKOBYXMFSA-N 1 1 396.487 3.469 40 0 GGABMO COc1cccc(C2CC[NH+]([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)c1 ZINC000106524934 1411231537 /nfs/dbraw/zinc/23/15/37/1411231537.db2.gz DKNPJVUYQMGVSB-HXUWFJFHSA-N 1 1 382.435 3.346 40 0 GGABMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000195529345 1433338547 /nfs/dbraw/zinc/33/85/47/1433338547.db2.gz IIWWBAUJOUJHHZ-UYAOXDASSA-N 1 1 383.540 3.463 40 0 GGABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218125299 1433364839 /nfs/dbraw/zinc/36/48/39/1433364839.db2.gz VCSUKTCYPJFIGQ-FHWLQOOXSA-N 1 1 395.908 3.022 40 0 GGABMO COc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)C[C@@H]2c2cccs2)c(OC)c1 ZINC000227150411 1433369415 /nfs/dbraw/zinc/36/94/15/1433369415.db2.gz USEKERMIMZQSRT-HIFRSBDPSA-N 1 1 375.494 3.232 40 0 GGABMO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](C[C@H](C)c2ccccc2)C3)C1 ZINC000247913776 1433756225 /nfs/dbraw/zinc/75/62/25/1433756225.db2.gz FHQIMSAPJSSYKM-PXNSSMCTSA-N 1 1 378.520 3.364 40 0 GGABMO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](C[C@@H](C)c2ccccc2)C3)C1 ZINC000247913779 1433756275 /nfs/dbraw/zinc/75/62/75/1433756275.db2.gz FHQIMSAPJSSYKM-XLIONFOSSA-N 1 1 378.520 3.364 40 0 GGABMO Cc1nc2c(c(N3CC[N@H+]4CCCC[C@H]4C3)n1)CCN(Cc1ccccc1)C2 ZINC000247979587 1433760743 /nfs/dbraw/zinc/76/07/43/1433760743.db2.gz WRGAWXOSVNTDKQ-FQEVSTJZSA-N 1 1 377.536 3.018 40 0 GGABMO COCCc1ncc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(C)cc4)[C@@H]3C2)cn1 ZINC000248121956 1433771031 /nfs/dbraw/zinc/77/10/31/1433771031.db2.gz XYJQAKXRIMJVLA-XKCSPQBFSA-N 1 1 381.520 3.094 40 0 GGABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cccc(=O)[nH]1)[C@H]2Cc1ccccc1 ZINC000257318853 1433895038 /nfs/dbraw/zinc/89/50/38/1433895038.db2.gz VPQZLCPHCQIVSL-ROLQDKDTSA-N 1 1 391.515 3.486 40 0 GGABMO COc1ncc(C[N@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCCC[C@H]23)cn1 ZINC000257247499 1433895049 /nfs/dbraw/zinc/89/50/49/1433895049.db2.gz IZGXMQOSOUZFEJ-QTEQDKRBSA-N 1 1 394.519 3.120 40 0 GGABMO Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)C[NH+]3CCCCC3)cc2)c1 ZINC000408924258 231132262 /nfs/dbraw/zinc/13/22/62/231132262.db2.gz FITIDQPCHGKEMK-UHFFFAOYSA-N 1 1 387.505 3.220 40 0 GGABMO CC[C@@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)c1ccc(Cl)cc1 ZINC000024254407 203784442 /nfs/dbraw/zinc/78/44/42/203784442.db2.gz HNZQUYAJQKPFQP-MRXNPFEDSA-N 1 1 381.867 3.476 40 0 GGABMO O=C(c1ccc(F)cc1)C1CC[NH+](CCCn2c(=O)[nH]c3ccccc32)CC1 ZINC000004215520 204032883 /nfs/dbraw/zinc/03/28/83/204032883.db2.gz VNLMLHDKNUIWNM-UHFFFAOYSA-N 1 1 381.451 3.454 40 0 in-man GGABMO Cc1cc(NCCC[NH+]2CCOCC2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000035314960 204169192 /nfs/dbraw/zinc/16/91/92/204169192.db2.gz QWERFLSEBLXZEG-UHFFFAOYSA-N 1 1 385.899 3.492 40 0 GGABMO C[C@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000035267083 204140632 /nfs/dbraw/zinc/14/06/32/204140632.db2.gz UDAZDFGNIYHMKH-WMZOPIPTSA-N 1 1 383.467 3.354 40 0 GGABMO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(NC(C)=O)cc3)n2)cn1 ZINC000035425894 204195167 /nfs/dbraw/zinc/19/51/67/204195167.db2.gz SOYBWHBUJCRFLJ-SFHVURJKSA-N 1 1 393.447 3.436 40 0 biogenic,in-vitro GGABMO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(NC(C)=O)cc3)n2)cn1 ZINC000035425894 204195169 /nfs/dbraw/zinc/19/51/69/204195169.db2.gz SOYBWHBUJCRFLJ-SFHVURJKSA-N 1 1 393.447 3.436 40 0 biogenic,in-vitro GGABMO O=C([C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1)N1CCCC1 ZINC000008728026 204285616 /nfs/dbraw/zinc/28/56/16/204285616.db2.gz BKMIDTVFEJHUSZ-JOCHJYFZSA-N 1 1 377.488 3.267 40 0 GGABMO O=C(NC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@H]1OCOc2ccccc21 ZINC000036058537 204304334 /nfs/dbraw/zinc/30/43/34/204304334.db2.gz MBRGYORKLQJGCJ-UGKGYDQZSA-N 1 1 380.488 3.165 40 0 GGABMO O=C1CO[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000067897309 204306401 /nfs/dbraw/zinc/30/64/01/204306401.db2.gz NSMXETXALDTOHD-MOPGFXCFSA-N 1 1 390.405 3.317 40 0 biogenic,in-vitro GGABMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CNC(=O)c2ccc(F)cc2)C1 ZINC000036394824 204319332 /nfs/dbraw/zinc/31/93/32/204319332.db2.gz YSMFMHQSEQSNII-KRWDZBQOSA-N 1 1 397.494 3.104 40 0 GGABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000010544206 204336378 /nfs/dbraw/zinc/33/63/78/204336378.db2.gz ZMSZIRISKUOOBT-OAHLLOKOSA-N 1 1 389.359 3.382 40 0 GGABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2nc3ccccc3cc2N)C1 ZINC000012088020 204371377 /nfs/dbraw/zinc/37/13/77/204371377.db2.gz WMPZRTSGSGFQQT-KRWDZBQOSA-N 1 1 377.492 3.372 40 0 GGABMO O=C1NC2(CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)Oc2ccccc21 ZINC000012116524 204372610 /nfs/dbraw/zinc/37/26/10/204372610.db2.gz DDRFKKWVFUDWIQ-UHFFFAOYSA-N 1 1 380.473 3.253 40 0 GGABMO CCCOc1c(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)cccc1OC ZINC000012117028 204372868 /nfs/dbraw/zinc/37/28/68/204372868.db2.gz RHUUZUFTTGXZDJ-VSOVRNOCSA-N 1 1 385.508 3.232 40 0 GGABMO CCOC(=O)[C@H]1CCCN(c2nc(C)nc3c2CC[N@H+](Cc2ccccc2)C3)C1 ZINC000012142757 204374993 /nfs/dbraw/zinc/37/49/93/204374993.db2.gz BBKQYKDSFRGBMI-IBGZPJMESA-N 1 1 394.519 3.123 40 0 GGABMO CCOC(=O)[C@H]1CCCN(c2nc(C)nc3c2CC[N@@H+](Cc2ccccc2)C3)C1 ZINC000012142757 204374995 /nfs/dbraw/zinc/37/49/95/204374995.db2.gz BBKQYKDSFRGBMI-IBGZPJMESA-N 1 1 394.519 3.123 40 0 GGABMO Cc1cc2c(cc1C)OC1(C=C2)CC[NH+](CC(=O)NCc2ccccn2)CC1 ZINC000012144150 204376076 /nfs/dbraw/zinc/37/60/76/204376076.db2.gz UUDGZYDONXAYOR-UHFFFAOYSA-N 1 1 377.488 3.255 40 0 GGABMO COc1cccc2ccc(C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H](C)O)nc21 ZINC000012147964 204376798 /nfs/dbraw/zinc/37/67/98/204376798.db2.gz CRZRPWPYBRCBMN-OAHLLOKOSA-N 1 1 380.444 3.355 40 0 GGABMO Cc1ccccc1CSCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000011205687 204343925 /nfs/dbraw/zinc/34/39/25/204343925.db2.gz HNQDMKGWTRVFIJ-UHFFFAOYSA-N 1 1 384.545 3.377 40 0 GGABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 ZINC000012182111 204378830 /nfs/dbraw/zinc/37/88/30/204378830.db2.gz SGYAEKOQSURYHA-UKPHBRMFSA-N 1 1 395.429 3.487 40 0 GGABMO CC(=O)NC1(c2ccccc2F)CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000012188370 204379403 /nfs/dbraw/zinc/37/94/03/204379403.db2.gz KCEXVSTWEVQXEV-HXUWFJFHSA-N 1 1 392.421 3.265 40 0 GGABMO CCC[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000012188581 204379958 /nfs/dbraw/zinc/37/99/58/204379958.db2.gz XKVHBRQNXOEAND-OAQYLSRUSA-N 1 1 397.519 3.083 40 0 GGABMO COc1ccc(C[N@H+](Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@H]2CCCO2)cc1 ZINC000012187549 204379983 /nfs/dbraw/zinc/37/99/83/204379983.db2.gz STQWYQPCCSAHQH-HXUWFJFHSA-N 1 1 395.503 3.067 40 0 GGABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@H](Cn3nnc(-c4ccccn4)n3)C2)cc1 ZINC000012220288 204383730 /nfs/dbraw/zinc/38/37/30/204383730.db2.gz PSWDKBXOFKGPMT-IBGZPJMESA-N 1 1 392.507 3.435 40 0 GGABMO C[C@H]1CCC[N@@H+](CC(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4cccnc4)ncc32)C1 ZINC000012239967 204386403 /nfs/dbraw/zinc/38/64/03/204386403.db2.gz OUYPEXKSSSIRQA-QFBILLFUSA-N 1 1 393.535 3.400 40 0 GGABMO Clc1ccc(C2([NH2+]Cc3cnc(N4CCOCC4)nc3)CC2)c(Cl)c1 ZINC000012238705 204386535 /nfs/dbraw/zinc/38/65/35/204386535.db2.gz SOMNFAYNAVUAPI-UHFFFAOYSA-N 1 1 379.291 3.399 40 0 GGABMO CCCCN(C)c1nc(N2CCOCC2)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000012242110 204386567 /nfs/dbraw/zinc/38/65/67/204386567.db2.gz LJLKDHHDBLIGOX-UHFFFAOYSA-N 1 1 395.551 3.108 40 0 GGABMO CCCCN(C)c1nc(N2CCOCC2)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000012242110 204386569 /nfs/dbraw/zinc/38/65/69/204386569.db2.gz LJLKDHHDBLIGOX-UHFFFAOYSA-N 1 1 395.551 3.108 40 0 GGABMO Cc1cc(N2CCN(C(=O)c3ccnc4ccc(Cl)cc43)CC2)nc(C)[nH+]1 ZINC000012290749 204389834 /nfs/dbraw/zinc/38/98/34/204389834.db2.gz JUADJAPRZJYDBY-UHFFFAOYSA-N 1 1 381.867 3.257 40 0 GGABMO COc1cc(C)c(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000029230352 204889291 /nfs/dbraw/zinc/88/92/91/204889291.db2.gz OJJDVFUYZWTRKN-UHFFFAOYSA-N 1 1 388.533 3.039 40 0 GGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000038851381 205040216 /nfs/dbraw/zinc/04/02/16/205040216.db2.gz FDQUEQOCEHFEQD-UHFFFAOYSA-N 1 1 378.451 3.341 40 0 GGABMO Cn1c2ccc(C[N@@H+](CCCn3ccnc3)C[C@@H]3CC=CCC3)cc2n(C)c1=O ZINC000036740237 205022404 /nfs/dbraw/zinc/02/24/04/205022404.db2.gz XSGQSVVNAKDIKY-LJQANCHMSA-N 1 1 393.535 3.322 40 0 GGABMO O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[N@@H+](CCn2cccn2)CC1 ZINC000077100051 205032067 /nfs/dbraw/zinc/03/20/67/205032067.db2.gz YPBDRPDJJYPASW-UHFFFAOYSA-N 1 1 381.402 3.142 40 0 GGABMO CCOC(=O)C(C(=O)OCC)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000038289185 205036107 /nfs/dbraw/zinc/03/61/07/205036107.db2.gz CEVCRAJVGQECAV-UHFFFAOYSA-N 1 1 381.472 3.450 40 0 GGABMO CC(C)[C@H](CNC(=O)c1ccccc1COc1ccccc1)N1CC[NH+](C)CC1 ZINC000042578138 205080632 /nfs/dbraw/zinc/08/06/32/205080632.db2.gz GJTAOCOPVUSGBR-QHCPKHFHSA-N 1 1 395.547 3.267 40 0 GGABMO COc1cc(CNC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc(OC)c1OC ZINC000044917686 205090575 /nfs/dbraw/zinc/09/05/75/205090575.db2.gz DVYUPDSZBQFICI-UHFFFAOYSA-N 1 1 395.459 3.196 40 0 GGABMO Cc1cccc(-c2noc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000041184441 205078198 /nfs/dbraw/zinc/07/81/98/205078198.db2.gz PZPVORCKKRUUNW-UHFFFAOYSA-N 1 1 390.487 3.322 40 0 GGABMO O=C(COc1ccc2ccccc2c1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047276303 205109387 /nfs/dbraw/zinc/10/93/87/205109387.db2.gz ZSCAHSCSPBLJSH-UHFFFAOYSA-N 1 1 390.483 3.367 40 0 GGABMO COC(=O)C1C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000049946944 205130696 /nfs/dbraw/zinc/13/06/96/205130696.db2.gz ONLUHYGSYJISHX-QEEYODRMSA-N 1 1 385.508 3.062 40 0 GGABMO COc1cc(C)c(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)c(C)c1 ZINC000065750470 205239963 /nfs/dbraw/zinc/23/99/63/205239963.db2.gz PNNZOQQFNOUHTG-UHFFFAOYSA-N 1 1 385.489 3.285 40 0 GGABMO COc1cccc(-c2cncc([C@H]3CCC[N@H+](C4CCN(C(C)=O)CC4)C3)n2)c1 ZINC000072359788 205333969 /nfs/dbraw/zinc/33/39/69/205333969.db2.gz RYVKTZPZHCNIOS-IBGZPJMESA-N 1 1 394.519 3.343 40 0 GGABMO COc1cc2nc3n(c(=O)c2cc1OC)C[C@@H]1CC[C@H](C3)[N@H+]1Cc1ccccc1 ZINC000072327373 205326455 /nfs/dbraw/zinc/32/64/55/205326455.db2.gz SHCYRICAJOZYKD-SJORKVTESA-N 1 1 391.471 3.003 40 0 GGABMO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)n1 ZINC000072360965 205333986 /nfs/dbraw/zinc/33/39/86/205333986.db2.gz VPSWUEXIVLOYHA-SFHVURJKSA-N 1 1 375.480 3.402 40 0 GGABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000072345893 205328881 /nfs/dbraw/zinc/32/88/81/205328881.db2.gz JPULHHYPLNYQLE-LJQANCHMSA-N 1 1 387.487 3.204 40 0 GGABMO Cc1nc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)ncc1C(=O)Nc1ccccc1 ZINC000072345538 205329277 /nfs/dbraw/zinc/32/92/77/205329277.db2.gz YHVXQUINZGLOJN-SFHVURJKSA-N 1 1 390.491 3.150 40 0 GGABMO CCCn1ncc(CN2CCC3(CC2)Nc2ccccc2C2=[NH+]CCCN23)c1C ZINC000072342670 205329442 /nfs/dbraw/zinc/32/94/42/205329442.db2.gz WTNVCAGUQSYHBE-UHFFFAOYSA-N 1 1 392.551 3.472 40 0 GGABMO COCCOc1ccc(C[N@@H+]2C[C@@H]3ON=C(c4cccc(C)c4)[C@H]3C2)cc1OC ZINC000072343247 205329659 /nfs/dbraw/zinc/32/96/59/205329659.db2.gz HGGYUNVZPIKDOY-UGKGYDQZSA-N 1 1 396.487 3.264 40 0 GGABMO COCCOc1ccc(C[N@H+]2C[C@@H]3ON=C(c4cccc(C)c4)[C@H]3C2)cc1OC ZINC000072343247 205329663 /nfs/dbraw/zinc/32/96/63/205329663.db2.gz HGGYUNVZPIKDOY-UGKGYDQZSA-N 1 1 396.487 3.264 40 0 GGABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000072344794 205329677 /nfs/dbraw/zinc/32/96/77/205329677.db2.gz UOYGBSATXOPJSE-FQEVSTJZSA-N 1 1 389.503 3.457 40 0 GGABMO COC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354493 205331932 /nfs/dbraw/zinc/33/19/32/205331932.db2.gz BDBLWMCMJQPZTK-NRFANRHFSA-N 1 1 384.495 3.018 40 0 GGABMO COC[C@H]1CN(C(=O)CCc2ccc(F)cc2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354541 205332911 /nfs/dbraw/zinc/33/29/11/205332911.db2.gz RATNJEMWQWGENX-JOCHJYFZSA-N 1 1 398.522 3.408 40 0 GGABMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3nccnc3-c3cccc(F)c3)C2)CC1 ZINC000072359103 205333583 /nfs/dbraw/zinc/33/35/83/205333583.db2.gz SPTFXMJOORHOQM-SFHVURJKSA-N 1 1 382.483 3.473 40 0 GGABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359618 205333848 /nfs/dbraw/zinc/33/38/48/205333848.db2.gz NRWSUFGHUCTDKU-OAHLLOKOSA-N 1 1 392.425 3.430 40 0 GGABMO COc1ccccc1Oc1cncc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072361883 205333920 /nfs/dbraw/zinc/33/39/20/205333920.db2.gz LSJRZLWJWMEBMG-QGZVFWFLSA-N 1 1 396.491 3.079 40 0 GGABMO COc1ccccc1Oc1cncc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072361883 205333925 /nfs/dbraw/zinc/33/39/25/205333925.db2.gz LSJRZLWJWMEBMG-QGZVFWFLSA-N 1 1 396.491 3.079 40 0 GGABMO COc1cccc(Oc2cncc([C@@H]3CCC[N@H+](Cc4ccnn4C)C3)n2)c1 ZINC000072362829 205335099 /nfs/dbraw/zinc/33/50/99/205335099.db2.gz KHTASZJRMUFAMI-MRXNPFEDSA-N 1 1 379.464 3.391 40 0 GGABMO COc1cccc(Oc2cncc([C@@H]3CCC[N@@H+](Cc4ccnn4C)C3)n2)c1 ZINC000072362829 205335105 /nfs/dbraw/zinc/33/51/05/205335105.db2.gz KHTASZJRMUFAMI-MRXNPFEDSA-N 1 1 379.464 3.391 40 0 GGABMO Cc1ccccc1OCCCC(=O)N1CCC[C@@H](c2cc(C[NH+](C)C)n(C)n2)C1 ZINC000072370174 205335120 /nfs/dbraw/zinc/33/51/20/205335120.db2.gz JTNXOVZQIRGHFD-LJQANCHMSA-N 1 1 398.551 3.355 40 0 GGABMO c1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCNC4)C2)cc(OC2CCCC2)c1 ZINC000072372128 205335248 /nfs/dbraw/zinc/33/52/48/205335248.db2.gz PWYWSNSOYPQDEA-GOSISDBHSA-N 1 1 381.524 3.082 40 0 GGABMO Cc1ccccc1OCCCC(=O)N1CCC[C@H](c2cc(C[NH+](C)C)n(C)n2)C1 ZINC000072370173 205335859 /nfs/dbraw/zinc/33/58/59/205335859.db2.gz JTNXOVZQIRGHFD-IBGZPJMESA-N 1 1 398.551 3.355 40 0 GGABMO Cn1nccc1C[N@H+]1CC[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371588 205335967 /nfs/dbraw/zinc/33/59/67/205335967.db2.gz SDPIGHGYQSUMSL-OAHLLOKOSA-N 1 1 385.899 3.408 40 0 GGABMO Cn1nccc1C[N@@H+]1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371588 205335972 /nfs/dbraw/zinc/33/59/72/205335972.db2.gz SDPIGHGYQSUMSL-OAHLLOKOSA-N 1 1 385.899 3.408 40 0 GGABMO Cn1nccc1C[N@H+]1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371588 205335977 /nfs/dbraw/zinc/33/59/77/205335977.db2.gz SDPIGHGYQSUMSL-OAHLLOKOSA-N 1 1 385.899 3.408 40 0 GGABMO COc1cccc(Oc2nccnc2[C@H]2CCC[N@H+](Cc3cncn3C)C2)c1 ZINC000072363148 205336331 /nfs/dbraw/zinc/33/63/31/205336331.db2.gz XXAWANLKYFJTPQ-INIZCTEOSA-N 1 1 379.464 3.391 40 0 GGABMO COc1cccc(Oc2nccnc2[C@H]2CCC[N@@H+](Cc3cncn3C)C2)c1 ZINC000072363148 205336335 /nfs/dbraw/zinc/33/63/35/205336335.db2.gz XXAWANLKYFJTPQ-INIZCTEOSA-N 1 1 379.464 3.391 40 0 GGABMO Cn1cc(C[N@H+]2CC[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 ZINC000072371563 205336388 /nfs/dbraw/zinc/33/63/88/205336388.db2.gz OKTHOIFFJQAKAG-INIZCTEOSA-N 1 1 385.899 3.408 40 0 GGABMO Cn1cc(C[N@@H+]2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cn1 ZINC000072371563 205336393 /nfs/dbraw/zinc/33/63/93/205336393.db2.gz OKTHOIFFJQAKAG-INIZCTEOSA-N 1 1 385.899 3.408 40 0 GGABMO Cn1cc(C[N@H+]2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cn1 ZINC000072371563 205336395 /nfs/dbraw/zinc/33/63/95/205336395.db2.gz OKTHOIFFJQAKAG-INIZCTEOSA-N 1 1 385.899 3.408 40 0 GGABMO CCN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc(N)ncc1-c1ccc(F)cc1 ZINC000072376823 205336933 /nfs/dbraw/zinc/33/69/33/205336933.db2.gz GGCFBHFTZPBSLE-GOSISDBHSA-N 1 1 385.487 3.260 40 0 GGABMO CCN(CC)C(=O)C[N@H+]1CCCC[C@@H]1c1nc(N)ncc1-c1ccc(F)cc1 ZINC000072376823 205336937 /nfs/dbraw/zinc/33/69/37/205336937.db2.gz GGCFBHFTZPBSLE-GOSISDBHSA-N 1 1 385.487 3.260 40 0 GGABMO Cc1c(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)Nc3nccs3)cn2)cnn1C ZINC000072374442 205337021 /nfs/dbraw/zinc/33/70/21/205337021.db2.gz CYKXOTRFLWYXNC-KRWDZBQOSA-N 1 1 382.493 3.169 40 0 GGABMO Cc1c(C[N@H+]2CCC[C@H]2c2ccc(C(=O)Nc3nccs3)cn2)cnn1C ZINC000072374442 205337025 /nfs/dbraw/zinc/33/70/25/205337025.db2.gz CYKXOTRFLWYXNC-KRWDZBQOSA-N 1 1 382.493 3.169 40 0 GGABMO C[N@H+]1CCn2c(nnc2[C@H]2CCCN2C(=O)C2(c3ccccc3F)CCCC2)C1 ZINC000072373905 205337556 /nfs/dbraw/zinc/33/75/56/205337556.db2.gz JVRZBSBEJZPRBM-GOSISDBHSA-N 1 1 397.498 3.038 40 0 GGABMO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCCC[C@@H]1c1nnc2n1CC[N@H+](C)C2 ZINC000072373998 205337718 /nfs/dbraw/zinc/33/77/18/205337718.db2.gz GYBUYZTUCXQNDA-QGZVFWFLSA-N 1 1 396.470 3.020 40 0 GGABMO C[C@H]1CCCC[N@H+]1CC(=O)N1CCC(c2ccc(Nc3cnccn3)cn2)CC1 ZINC000072374230 205338371 /nfs/dbraw/zinc/33/83/71/205338371.db2.gz SKZVBQQPSSOFEG-KRWDZBQOSA-N 1 1 394.523 3.196 40 0 GGABMO Fc1ccc(OCC[N@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377980 205339685 /nfs/dbraw/zinc/33/96/85/205339685.db2.gz NYYQRUCURCNCBT-INIZCTEOSA-N 1 1 394.454 3.408 40 0 GGABMO COc1ccc(Oc2cc(C)nc([C@@H]3CC[N@H+](Cc4ccnn4C)C3)n2)cc1 ZINC000072384231 205340399 /nfs/dbraw/zinc/34/03/99/205340399.db2.gz YIDJGJWIACWHNL-MRXNPFEDSA-N 1 1 379.464 3.309 40 0 GGABMO COc1ccc(Oc2cc(C)nc([C@@H]3CC[N@@H+](Cc4ccnn4C)C3)n2)cc1 ZINC000072384231 205340402 /nfs/dbraw/zinc/34/04/02/205340402.db2.gz YIDJGJWIACWHNL-MRXNPFEDSA-N 1 1 379.464 3.309 40 0 GGABMO O=c1cc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)nc(-c2ccccn2)[nH]1 ZINC000072393242 205343963 /nfs/dbraw/zinc/34/39/63/205343963.db2.gz FTNJDQXYTPXINA-CQSZACIVSA-N 1 1 382.414 3.490 40 0 GGABMO CN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@H+](Cc3cccc4cccnc43)C[C@@H]12 ZINC000072395845 205344345 /nfs/dbraw/zinc/34/43/45/205344345.db2.gz WEQHZPUBHDUWRH-YKSBVNFPSA-N 1 1 385.467 3.394 40 0 GGABMO C=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)S[C@H]2[C@@H]([NH3+])C(=O)N2C1 ZINC000098177462 205602055 /nfs/dbraw/zinc/60/20/55/205602055.db2.gz ZEZLOSHIDUQRIO-UWJYYQICSA-N 1 1 392.480 3.002 40 0 GGABMO COc1ccc(CC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 ZINC000020111906 205916110 /nfs/dbraw/zinc/91/61/10/205916110.db2.gz MHDVDVAKLLLRGN-GOSISDBHSA-N 1 1 383.444 3.163 40 0 biogenic GGABMO COc1ccc(CC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1 ZINC000020111906 205916115 /nfs/dbraw/zinc/91/61/15/205916115.db2.gz MHDVDVAKLLLRGN-GOSISDBHSA-N 1 1 383.444 3.163 40 0 biogenic GGABMO O[C@H](C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1F ZINC000026908635 206007224 /nfs/dbraw/zinc/00/72/24/206007224.db2.gz MIPPSCHBYVMUIN-QGZVFWFLSA-N 1 1 383.389 3.485 40 0 GGABMO O[C@](CC[NH+]1CCOCC1)(c1ccccc1)c1ccc(Br)cc1 ZINC000027346440 206012068 /nfs/dbraw/zinc/01/20/68/206012068.db2.gz DBWUYRVMFMOSFV-LJQANCHMSA-N 1 1 376.294 3.407 40 0 GGABMO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1)c1ccc(F)cc1 ZINC000027698487 206015033 /nfs/dbraw/zinc/01/50/33/206015033.db2.gz JYXAWGCULDADLI-IHWFROFDSA-N 1 1 388.508 3.342 40 0 GGABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(COc3cccc(OC)c3)c2)CC1 ZINC000224258830 206016977 /nfs/dbraw/zinc/01/69/77/206016977.db2.gz NEGUVFSTXKPYNW-UHFFFAOYSA-N 1 1 384.476 3.061 40 0 GGABMO Cc1cc(OCc2ccc(C(=O)NCCC[NH+]3CCOCC3)o2)ccc1Cl ZINC000027937945 206022219 /nfs/dbraw/zinc/02/22/19/206022219.db2.gz MNMPSHIGXCLBQG-UHFFFAOYSA-N 1 1 392.883 3.273 40 0 GGABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1ccc(OC)cc1 ZINC000224602167 206023576 /nfs/dbraw/zinc/02/35/76/206023576.db2.gz LLIMEANPIYDVPF-UHFFFAOYSA-N 1 1 384.476 3.061 40 0 GGABMO CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224571480 206023640 /nfs/dbraw/zinc/02/36/40/206023640.db2.gz BXHSXDDELIVOEJ-SFHVURJKSA-N 1 1 382.504 3.165 40 0 GGABMO CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224575288 206023853 /nfs/dbraw/zinc/02/38/53/206023853.db2.gz KXGAYKVDDZNIHM-JOCHJYFZSA-N 1 1 382.504 3.301 40 0 GGABMO O=C(Cc1ccc(Cl)cc1F)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224586322 206024093 /nfs/dbraw/zinc/02/40/93/206024093.db2.gz MAQVCRGPXHOOCL-UHFFFAOYSA-N 1 1 376.859 3.170 40 0 GGABMO O=C(COc1cccc2c1CCCC2)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224586112 206024145 /nfs/dbraw/zinc/02/41/45/206024145.db2.gz JLAJAOBQCWPKBN-UHFFFAOYSA-N 1 1 394.515 3.093 40 0 GGABMO Cc1ccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C ZINC000224741458 206027113 /nfs/dbraw/zinc/02/71/13/206027113.db2.gz WGPCIGQJGABPFM-LJQANCHMSA-N 1 1 382.504 3.219 40 0 GGABMO O=C(CSCc1ccc(F)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224737469 206027366 /nfs/dbraw/zinc/02/73/66/206027366.db2.gz HLQROQIGZBEQIT-UHFFFAOYSA-N 1 1 388.508 3.208 40 0 GGABMO Cc1ccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000224741575 206027502 /nfs/dbraw/zinc/02/75/02/206027502.db2.gz LXGRZEAUTNKXTB-LJQANCHMSA-N 1 1 382.504 3.219 40 0 GGABMO O=C(CSCc1ccccc1F)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224751106 206027767 /nfs/dbraw/zinc/02/77/67/206027767.db2.gz MGSJULAAGUOPBM-UHFFFAOYSA-N 1 1 388.508 3.208 40 0 GGABMO C[C@@H]1C[C@@H](C)CN(Cc2nnc(C[N@H+]3C[C@H](C)C[C@H](C)C3)n2-n2cccc2)C1 ZINC000225151528 206039283 /nfs/dbraw/zinc/03/92/83/206039283.db2.gz FVESPSCPWAUTHL-WTGUMLROSA-N 1 1 384.572 3.347 40 0 GGABMO C[C@@H]1C[C@@H](C)CN(Cc2nnc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)n2-n2cccc2)C1 ZINC000225151528 206039287 /nfs/dbraw/zinc/03/92/87/206039287.db2.gz FVESPSCPWAUTHL-WTGUMLROSA-N 1 1 384.572 3.347 40 0 GGABMO C[C@@H]1C[C@H](C)CN(Cc2nnc(C[NH+]3C[C@H](C)C[C@@H](C)C3)n2-n2cccc2)C1 ZINC000225151528 206039292 /nfs/dbraw/zinc/03/92/92/206039292.db2.gz FVESPSCPWAUTHL-WTGUMLROSA-N 1 1 384.572 3.347 40 0 GGABMO C[C@@H]1C[C@H](C)CN(Cc2nnc(C[N@H+]3C[C@H](C)C[C@H](C)C3)n2-n2cccc2)C1 ZINC000225151567 206039556 /nfs/dbraw/zinc/03/95/56/206039556.db2.gz FVESPSCPWAUTHL-FGYAAKKASA-N 1 1 384.572 3.347 40 0 GGABMO C[C@@H]1C[C@H](C)CN(Cc2nnc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)n2-n2cccc2)C1 ZINC000225151567 206039561 /nfs/dbraw/zinc/03/95/61/206039561.db2.gz FVESPSCPWAUTHL-FGYAAKKASA-N 1 1 384.572 3.347 40 0 GGABMO Cc1cc(C)n(C2=[NH+]c3sc4c(c3[C@@H](NC[C@H]3CCCO3)N2)CCCC4)n1 ZINC000028286505 206041760 /nfs/dbraw/zinc/04/17/60/206041760.db2.gz SYQLRZZLESEJIG-KDOFPFPSSA-N 1 1 385.537 3.346 40 0 GGABMO O=C(c1ccc2c(c1)OCC1(CC1)CO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225366923 206043646 /nfs/dbraw/zinc/04/36/46/206043646.db2.gz PMPPACQJPYZKLX-UHFFFAOYSA-N 1 1 378.472 3.196 40 0 GGABMO COC(=O)c1cccc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000225728839 206070993 /nfs/dbraw/zinc/07/09/93/206070993.db2.gz HPAWUEYGMRRURD-GASCZTMLSA-N 1 1 377.554 3.436 40 0 GGABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(C(=O)N(C)C)cc1 ZINC000225584730 206058878 /nfs/dbraw/zinc/05/88/78/206058878.db2.gz RMHLULNFBHXHKO-GOSISDBHSA-N 1 1 376.570 3.329 40 0 GGABMO Cc1ccc(CCC2CC[NH+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 ZINC000029168214 206060824 /nfs/dbraw/zinc/06/08/24/206060824.db2.gz LHORAWDUZLUMAL-UHFFFAOYSA-N 1 1 392.503 3.448 40 0 GGABMO COc1ccc(OCCNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000029450816 206063041 /nfs/dbraw/zinc/06/30/41/206063041.db2.gz ZWTVZWOOTOFUOT-ROUUACIJSA-N 1 1 398.503 3.113 40 0 GGABMO O=C(c1ccccn1)N1CCC([N@H+]2CCC[C@H]2COCc2ccccc2)CC1 ZINC000225630522 206063095 /nfs/dbraw/zinc/06/30/95/206063095.db2.gz GYTPQQBWFIIUCP-NRFANRHFSA-N 1 1 379.504 3.367 40 0 GGABMO O[C@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000029630662 206066131 /nfs/dbraw/zinc/06/61/31/206066131.db2.gz UZZHWPINYOTGTA-WMZHIEFXSA-N 1 1 384.495 3.403 40 0 GGABMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000032929490 206097143 /nfs/dbraw/zinc/09/71/43/206097143.db2.gz IJJZXJOGELDICT-NSHDSACASA-N 1 1 384.851 3.369 40 0 GGABMO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000226721141 206097669 /nfs/dbraw/zinc/09/76/69/206097669.db2.gz QMLWWGIZZNRUFZ-ZPFZUWPUSA-N 1 1 386.580 3.397 40 0 GGABMO CCc1[nH+]ccn1CC1CCN(C(=O)COc2cccc3c2OC(C)(C)C3)CC1 ZINC000062129709 206103352 /nfs/dbraw/zinc/10/33/52/206103352.db2.gz VNDIAILLOQUUBH-UHFFFAOYSA-N 1 1 397.519 3.477 40 0 GGABMO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CCCC[C@H]1CC ZINC000032538123 206091267 /nfs/dbraw/zinc/09/12/67/206091267.db2.gz WZTVVZRDKLUIDK-MRXNPFEDSA-N 1 1 392.569 3.461 40 0 GGABMO COc1ccc(N2C(=O)C[C@@H]([N@H+](Cc3ccccc3)C3CC3)C2=O)c(OC)c1 ZINC000032771942 206092899 /nfs/dbraw/zinc/09/28/99/206092899.db2.gz SASBEWQBFYQLBZ-LJQANCHMSA-N 1 1 380.444 3.000 40 0 GGABMO COc1ccc(N2C(=O)C[C@@H]([N@@H+](Cc3ccccc3)C3CC3)C2=O)c(OC)c1 ZINC000032771942 206092904 /nfs/dbraw/zinc/09/29/04/206092904.db2.gz SASBEWQBFYQLBZ-LJQANCHMSA-N 1 1 380.444 3.000 40 0 GGABMO C[C@H](NC(=O)[C@H](C)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000032738512 206093885 /nfs/dbraw/zinc/09/38/85/206093885.db2.gz OROGETFAGVPTLX-HOTGVXAUSA-N 1 1 375.513 3.271 40 0 GGABMO C[C@@H](NC(=O)[C@H](C)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000032738511 206095312 /nfs/dbraw/zinc/09/53/12/206095312.db2.gz OROGETFAGVPTLX-CVEARBPZSA-N 1 1 375.513 3.271 40 0 GGABMO COc1ccc(C[N@@H+]2CCOC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000096113160 206117506 /nfs/dbraw/zinc/11/75/06/206117506.db2.gz PNEGSCAQSYWWJC-QGZVFWFLSA-N 1 1 382.382 3.389 40 0 biogenic,in-vitro GGABMO COc1ccc(C[N@H+]2CCOC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000096113160 206117512 /nfs/dbraw/zinc/11/75/12/206117512.db2.gz PNEGSCAQSYWWJC-QGZVFWFLSA-N 1 1 382.382 3.389 40 0 biogenic,in-vitro GGABMO O=C(CCn1ncc2ccc(Cl)cc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096182383 206121123 /nfs/dbraw/zinc/12/11/23/206121123.db2.gz LUNNQQBYGDBBJS-UHFFFAOYSA-N 1 1 382.895 3.424 40 0 GGABMO COC(=O)[C@H]([NH3+])CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000098043830 206125393 /nfs/dbraw/zinc/12/53/93/206125393.db2.gz LDXZBXJAYFRKAX-HXUWFJFHSA-N 1 1 382.460 3.196 40 0 GGABMO CN(C)c1ncc2c(n1)[C@@]1(CC[N@@H+](Cc3ccc(-c4ccccc4)o3)C1)COC2 ZINC000248072300 206135949 /nfs/dbraw/zinc/13/59/49/206135949.db2.gz BBOQXERKYIDVHX-HSZRJFAPSA-N 1 1 390.487 3.477 40 0 GGABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000248074464 206136226 /nfs/dbraw/zinc/13/62/26/206136226.db2.gz BRJDUKLTBJHYQP-UIAACRFSSA-N 1 1 392.496 3.340 40 0 GGABMO CNC(=O)c1sc2nc([C@@H]3CCCC[N@H+]3CC3CCOCC3)ccc2c1N ZINC000257204247 206158611 /nfs/dbraw/zinc/15/86/11/206158611.db2.gz ATRWSQCXCLYAJE-INIZCTEOSA-N 1 1 388.537 3.192 40 0 GGABMO Cc1nc([C@@]2(C)CCC[N@@H+](Cc3cccnc3)C2)nc2c1CC(=O)N2C(C)C ZINC000257211583 206159224 /nfs/dbraw/zinc/15/92/24/206159224.db2.gz BZKJDAGNYLBOLB-QFIPXVFZSA-N 1 1 379.508 3.031 40 0 GGABMO Cc1nc([C@]2(C)CCC[N@@H+](Cc3cccnc3)C2)nc2c1CC(=O)N2C(C)C ZINC000257211582 206159316 /nfs/dbraw/zinc/15/93/16/206159316.db2.gz BZKJDAGNYLBOLB-JOCHJYFZSA-N 1 1 379.508 3.031 40 0 GGABMO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)cc1 ZINC000257210562 206159479 /nfs/dbraw/zinc/15/94/79/206159479.db2.gz BVDVGFFYLYEMNJ-FPOVZHCZSA-N 1 1 376.497 3.074 40 0 GGABMO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@H](OC)[C@]3(CCCO3)C2)cc1 ZINC000257210562 206159482 /nfs/dbraw/zinc/15/94/82/206159482.db2.gz BVDVGFFYLYEMNJ-FPOVZHCZSA-N 1 1 376.497 3.074 40 0 GGABMO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@@]12CCCO2 ZINC000257209363 206159504 /nfs/dbraw/zinc/15/95/04/206159504.db2.gz BQBYQNOYBSTBMR-UNMCSNQZSA-N 1 1 397.475 3.082 40 0 GGABMO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@@]12CCCO2 ZINC000257209363 206159507 /nfs/dbraw/zinc/15/95/07/206159507.db2.gz BQBYQNOYBSTBMR-UNMCSNQZSA-N 1 1 397.475 3.082 40 0 GGABMO Cc1nc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)nc(C)c1CC(=O)N(C)C ZINC000257211923 206160018 /nfs/dbraw/zinc/16/00/18/206160018.db2.gz CBCNKQZPZJRWLM-KRWDZBQOSA-N 1 1 386.927 3.367 40 0 GGABMO CS(=O)(=O)N1CCC[C@H](c2cc(-n3ccnc3-c3ccccc3)cc[nH+]2)C1 ZINC000257208355 206160121 /nfs/dbraw/zinc/16/01/21/206160121.db2.gz BLVSRDONVFZOHD-KRWDZBQOSA-N 1 1 382.489 3.073 40 0 GGABMO Cc1ncsc1C(=O)N(C)C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1 ZINC000257219727 206160674 /nfs/dbraw/zinc/16/06/74/206160674.db2.gz DHWXCGRFJPYRGD-WKILWMFISA-N 1 1 389.569 3.293 40 0 GGABMO C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@H](C[NH+]1CCOCC1)C2=O ZINC000253596241 206149818 /nfs/dbraw/zinc/14/98/18/206149818.db2.gz OXMJWUNKEJJKIF-XERCODNRSA-N 1 1 387.564 3.438 40 0 GGABMO CC(=O)Nc1cccc([C@@H]2C[N@@H+](Cc3ccncc3)C[C@]23CCCCC(=O)N3)c1 ZINC000257287204 206173480 /nfs/dbraw/zinc/17/34/80/206173480.db2.gz POXZKZPBBNFVLT-JTHBVZDNSA-N 1 1 392.503 3.068 40 0 GGABMO CCN(C(=O)C[N@@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1)c1cccc(C)c1 ZINC000257295563 206174500 /nfs/dbraw/zinc/17/45/00/206174500.db2.gz QYWHGTWGPMJZCZ-GMAHTHKFSA-N 1 1 382.504 3.252 40 0 GGABMO CCN(C(=O)C[N@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1)c1cccc(C)c1 ZINC000257295563 206174503 /nfs/dbraw/zinc/17/45/03/206174503.db2.gz QYWHGTWGPMJZCZ-GMAHTHKFSA-N 1 1 382.504 3.252 40 0 GGABMO COc1cccc2ccc(C[N@H+]3CCC[C@H](c4n[nH]cc4C(=O)N(C)C)C3)nc21 ZINC000257301059 206175197 /nfs/dbraw/zinc/17/51/97/206175197.db2.gz RWVHZKJADJCHCV-INIZCTEOSA-N 1 1 393.491 3.048 40 0 GGABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000257305129 206176755 /nfs/dbraw/zinc/17/67/55/206176755.db2.gz SONRWOPJGJNORP-UNMCSNQZSA-N 1 1 382.460 3.033 40 0 GGABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000257305129 206176758 /nfs/dbraw/zinc/17/67/58/206176758.db2.gz SONRWOPJGJNORP-UNMCSNQZSA-N 1 1 382.460 3.033 40 0 GGABMO CCN1C(=O)CC[C@@H](C(=O)NCCCn2cc[nH+]c2C)[C@@H]1c1ccccc1C ZINC000257307624 206176859 /nfs/dbraw/zinc/17/68/59/206176859.db2.gz SZNJMZPLBDOZCR-CTNGQTDRSA-N 1 1 382.508 3.006 40 0 GGABMO NC(=O)c1cccc(-c2cccc([C@@H]3C[N@@H+](CCc4ccccc4)CCO3)n2)c1 ZINC000257224762 206162814 /nfs/dbraw/zinc/16/28/14/206162814.db2.gz FDGVHOMCXSULJU-QHCPKHFHSA-N 1 1 387.483 3.464 40 0 GGABMO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)CC[C@]12CCCO2 ZINC000257232420 206162884 /nfs/dbraw/zinc/16/28/84/206162884.db2.gz GKUBRDVFXHNUFC-IFMALSPDSA-N 1 1 397.475 3.082 40 0 GGABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)CC[C@]12CCCO2 ZINC000257232420 206162886 /nfs/dbraw/zinc/16/28/86/206162886.db2.gz GKUBRDVFXHNUFC-IFMALSPDSA-N 1 1 397.475 3.082 40 0 GGABMO CO[C@H]1C[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)CC[C@]12CCCO2 ZINC000257232422 206163524 /nfs/dbraw/zinc/16/35/24/206163524.db2.gz GKUBRDVFXHNUFC-RBBKRZOGSA-N 1 1 397.475 3.082 40 0 GGABMO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)CC[C@]12CCCO2 ZINC000257232422 206163530 /nfs/dbraw/zinc/16/35/30/206163530.db2.gz GKUBRDVFXHNUFC-RBBKRZOGSA-N 1 1 397.475 3.082 40 0 GGABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ncccc1O)[C@H]2Cc1ccccc1 ZINC000257234958 206164266 /nfs/dbraw/zinc/16/42/66/206164266.db2.gz GVULCQCSTIUSOQ-FUSFTIQSSA-N 1 1 391.515 3.486 40 0 GGABMO CCc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)[C@H]3CCN(C(=O)CO)C[C@@H]23)cc1 ZINC000257249738 206165631 /nfs/dbraw/zinc/16/56/31/206165631.db2.gz JJPDNAASJWJKKO-VABKMULXSA-N 1 1 378.516 3.058 40 0 GGABMO Cc1ccsc1C[N@@H+]1CCC[C@H](c2ccnc3c(C(=O)N(C)C)cnn32)C1 ZINC000257253806 206167508 /nfs/dbraw/zinc/16/75/08/206167508.db2.gz KAJALSVXLDNACM-HNNXBMFYSA-N 1 1 383.521 3.181 40 0 GGABMO C[N@H+]1CCC[C@H](NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)C1 ZINC000257254336 206168440 /nfs/dbraw/zinc/16/84/40/206168440.db2.gz KCQQNSYMPCADMI-QFIPXVFZSA-N 1 1 393.531 3.298 40 0 GGABMO Cc1nc([C@@]2(C)CCC[N@H+](Cc3cc(F)ccc3F)C2)nc2c1CC(=O)N2C ZINC000257261768 206168605 /nfs/dbraw/zinc/16/86/05/206168605.db2.gz LISJJNFSDCWEQB-NRFANRHFSA-N 1 1 386.446 3.136 40 0 GGABMO Cc1nc([C@@]2(C)CCC[N@@H+](Cc3cc(F)ccc3F)C2)nc2c1CC(=O)N2C ZINC000257261768 206168608 /nfs/dbraw/zinc/16/86/08/206168608.db2.gz LISJJNFSDCWEQB-NRFANRHFSA-N 1 1 386.446 3.136 40 0 GGABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)COc4ccccc4F)C[C@@H]32)cc1 ZINC000257260199 206168817 /nfs/dbraw/zinc/16/88/17/206168817.db2.gz LBTGICGEDPOKSN-SFHLNBCPSA-N 1 1 398.478 3.159 40 0 GGABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)COc4cccc(F)c4)C[C@@H]32)cc1 ZINC000257257242 206168836 /nfs/dbraw/zinc/16/88/36/206168836.db2.gz KORZLULEOGPAOX-YPAWHYETSA-N 1 1 398.478 3.159 40 0 GGABMO C[N@H+]1CC[C@H](CNC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)C1 ZINC000257265483 206169493 /nfs/dbraw/zinc/16/94/93/206169493.db2.gz LYVDLDGIIQIORT-HXUWFJFHSA-N 1 1 393.531 3.156 40 0 GGABMO C[N@@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)Cn4cccn4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257270782 206169578 /nfs/dbraw/zinc/16/95/78/206169578.db2.gz MVQBJOCOASBOAG-QMDPOKHVSA-N 1 1 392.547 3.358 40 0 GGABMO C[N@H+]1CC[C@@H](CNC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)C1 ZINC000257265482 206169741 /nfs/dbraw/zinc/16/97/41/206169741.db2.gz LYVDLDGIIQIORT-FQEVSTJZSA-N 1 1 393.531 3.156 40 0 GGABMO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)CN1CCCC1 ZINC000257263650 206169811 /nfs/dbraw/zinc/16/98/11/206169811.db2.gz LQWKYRIVHAXYBK-CFKFVRPNSA-N 1 1 381.564 3.215 40 0 GGABMO CCN1C(=O)CC[C@@H](C(=O)NCC[N@@H+](C)C2CCCC2)[C@@H]1c1ccc(C)cc1 ZINC000257266745 206170154 /nfs/dbraw/zinc/17/01/54/206170154.db2.gz MEHTVMKODJNHNC-IRLDBZIGSA-N 1 1 385.552 3.285 40 0 GGABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)ncn3C(C)C)[C@H]1O ZINC000257271567 206170316 /nfs/dbraw/zinc/17/03/16/206170316.db2.gz MYVLKATUIIECTG-NSISKUIASA-N 1 1 381.480 3.007 40 0 GGABMO CN(C)C(=O)c1sc2nc([C@H]3CCCC[N@@H+]3Cc3cnccn3)ccc2c1N ZINC000257338203 206181489 /nfs/dbraw/zinc/18/14/89/206181489.db2.gz YWLAKIZGWLECSK-MRXNPFEDSA-N 1 1 396.520 3.098 40 0 GGABMO CN(C)C(=O)c1sc2nc([C@H]3CCCC[N@H+]3Cc3cnccn3)ccc2c1N ZINC000257338203 206181492 /nfs/dbraw/zinc/18/14/92/206181492.db2.gz YWLAKIZGWLECSK-MRXNPFEDSA-N 1 1 396.520 3.098 40 0 GGABMO CN(C)C(=O)c1sc2nc([C@@H]3CCCC[N@@H+]3Cc3cnccn3)ccc2c1N ZINC000257338202 206181719 /nfs/dbraw/zinc/18/17/19/206181719.db2.gz YWLAKIZGWLECSK-INIZCTEOSA-N 1 1 396.520 3.098 40 0 GGABMO CN(C)C(=O)c1sc2nc([C@@H]3CCCC[N@H+]3Cc3cnccn3)ccc2c1N ZINC000257338202 206181723 /nfs/dbraw/zinc/18/17/23/206181723.db2.gz YWLAKIZGWLECSK-INIZCTEOSA-N 1 1 396.520 3.098 40 0 GGABMO Cn1ccnc1C[N@@H+]1CCC[C@H]2O[C@H]3c4cccc(O)c4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257329988 206180744 /nfs/dbraw/zinc/18/07/44/206180744.db2.gz XMHUIYJRSQJRKB-CIWUYKSXSA-N 1 1 383.492 3.408 40 0 GGABMO Cn1ccnc1C[N@H+]1CCC[C@H]2O[C@H]3c4cccc(O)c4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257329988 206180745 /nfs/dbraw/zinc/18/07/45/206180745.db2.gz XMHUIYJRSQJRKB-CIWUYKSXSA-N 1 1 383.492 3.408 40 0 GGABMO Cc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)c1 ZINC000306138442 206204689 /nfs/dbraw/zinc/20/46/89/206204689.db2.gz RXQXCVISXHASLN-OALUTQOASA-N 1 1 387.487 3.143 40 0 GGABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccoc4)C[C@H]32)cc1 ZINC000306141039 206204912 /nfs/dbraw/zinc/20/49/12/206204912.db2.gz VJONTMMXPDXXSC-LEWJYISDSA-N 1 1 377.444 3.171 40 0 GGABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccoc4)C[C@H]32)cc1 ZINC000306141039 206204914 /nfs/dbraw/zinc/20/49/14/206204914.db2.gz VJONTMMXPDXXSC-LEWJYISDSA-N 1 1 377.444 3.171 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306138198 206205291 /nfs/dbraw/zinc/20/52/91/206205291.db2.gz RSEMHSHYZTWLAL-NHCUHLMSSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306138198 206205293 /nfs/dbraw/zinc/20/52/93/206205293.db2.gz RSEMHSHYZTWLAL-NHCUHLMSSA-N 1 1 376.435 3.104 40 0 GGABMO Cc1cccc(C(=O)N2CC3(C2)C[C@@H](COCc2ccccn2)CC[N@@H+]3C)c1 ZINC000306139420 206205341 /nfs/dbraw/zinc/20/53/41/206205341.db2.gz SWVSODHGYWZPNE-IBGZPJMESA-N 1 1 379.504 3.143 40 0 GGABMO Cc1cccc(C(=O)N2CC3(C2)C[C@H](COCc2ccccn2)CC[N@@H+]3C)c1 ZINC000306139421 206205817 /nfs/dbraw/zinc/20/58/17/206205817.db2.gz SWVSODHGYWZPNE-LJQANCHMSA-N 1 1 379.504 3.143 40 0 GGABMO Cc1ncsc1C[N@H+]1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306137849 206205878 /nfs/dbraw/zinc/20/58/78/206205878.db2.gz RIFNWXLIUQQTDU-MRXNPFEDSA-N 1 1 382.537 3.474 40 0 GGABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@H+](CC3CCCCC3)C[C@H]1C2 ZINC000306140089 206205923 /nfs/dbraw/zinc/20/59/23/206205923.db2.gz UJRAGGBDZYZSJO-IAGOWNOFSA-N 1 1 397.498 3.354 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306142078 206206417 /nfs/dbraw/zinc/20/64/17/206206417.db2.gz WOUFBGWMUNOTOO-SFTDATJTSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306142078 206206420 /nfs/dbraw/zinc/20/64/20/206206420.db2.gz WOUFBGWMUNOTOO-SFTDATJTSA-N 1 1 376.435 3.104 40 0 GGABMO Cc1ccc(C[N@H+]2C[C@@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)s1 ZINC000306141614 206206458 /nfs/dbraw/zinc/20/64/58/206206458.db2.gz WCBGMPPXOHHASX-UYAOXDASSA-N 1 1 399.541 3.212 40 0 GGABMO Cc1ccc(C[N@@H+]2C[C@@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)s1 ZINC000306141614 206206463 /nfs/dbraw/zinc/20/64/63/206206463.db2.gz WCBGMPPXOHHASX-UYAOXDASSA-N 1 1 399.541 3.212 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]32)cs1 ZINC000306141477 206206628 /nfs/dbraw/zinc/20/66/28/206206628.db2.gz VXHHJLNIKCHXJA-UXHICEINSA-N 1 1 396.491 3.474 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]32)cs1 ZINC000306141477 206206633 /nfs/dbraw/zinc/20/66/33/206206633.db2.gz VXHHJLNIKCHXJA-UXHICEINSA-N 1 1 396.491 3.474 40 0 GGABMO Cc1cccc(C[N@@H+]2C[C@@H](c3ccnn3C(C)C)[C@]3(C2)CCCN(C)C3=O)n1 ZINC000306141581 206206799 /nfs/dbraw/zinc/20/67/99/206206799.db2.gz WBASLNTZNKBYEL-SIKLNZKXSA-N 1 1 381.524 3.005 40 0 GGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306144369 206206829 /nfs/dbraw/zinc/20/68/29/206206829.db2.gz ZDLYHZOKBWCRLB-UGKGYDQZSA-N 1 1 382.508 3.285 40 0 GGABMO O=C1NC2(CC[NH+](Cc3ccncc3)CC2)c2nc(-c3ccccc3)sc21 ZINC000306142924 206207141 /nfs/dbraw/zinc/20/71/41/206207141.db2.gz XOFLAIQHNJBSHU-UHFFFAOYSA-N 1 1 376.485 3.440 40 0 GGABMO CN1CC[N@@H+](Cc2cccs2)C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306142636 206207179 /nfs/dbraw/zinc/20/71/79/206207179.db2.gz XFDUMRYNWSCDMD-LJQANCHMSA-N 1 1 381.549 3.485 40 0 GGABMO COc1ncccc1C[N@H+]1CC[C@]2(CN(Cc3ccccn3)c3cccnc32)C1 ZINC000306144943 206207583 /nfs/dbraw/zinc/20/75/83/206207583.db2.gz ZSWLBKXPRRIPAL-HSZRJFAPSA-N 1 1 387.487 3.044 40 0 GGABMO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccccn4)C2)OC3)c1 ZINC000306143710 206207681 /nfs/dbraw/zinc/20/76/81/206207681.db2.gz YKCGQUQMVGZMBW-QFIPXVFZSA-N 1 1 376.460 3.129 40 0 GGABMO Cc1ccc(C[N@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@H]3C2)s1 ZINC000306141612 206207839 /nfs/dbraw/zinc/20/78/39/206207839.db2.gz WCBGMPPXOHHASX-ICSRJNTNSA-N 1 1 399.541 3.212 40 0 GGABMO Cc1ccc(C[N@@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@H]3C2)s1 ZINC000306141612 206207843 /nfs/dbraw/zinc/20/78/43/206207843.db2.gz WCBGMPPXOHHASX-ICSRJNTNSA-N 1 1 399.541 3.212 40 0 GGABMO CCn1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cn1 ZINC000306143738 206207877 /nfs/dbraw/zinc/20/78/77/206207877.db2.gz YLCIVKSXHVURSG-HXUWFJFHSA-N 1 1 387.491 3.387 40 0 GGABMO CC(C)(C)CC[N@@H+]1C[C@@H]2c3nnc(C(=O)NCc4ccc(F)cc4)n3CC[C@@H]2C1 ZINC000306145132 206208717 /nfs/dbraw/zinc/20/87/17/206208717.db2.gz ZZDPSIJEVDHWRD-AEFFLSMTSA-N 1 1 399.514 3.203 40 0 GGABMO c1cc(C[NH+]2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)cs1 ZINC000306125944 206196769 /nfs/dbraw/zinc/19/67/69/206196769.db2.gz DGPMCGHSHCDIQA-UHFFFAOYSA-N 1 1 376.489 3.175 40 0 GGABMO Cn1nccc1[C@@H]1C[N@@H+](Cc2ccsc2)C[C@]12CCCN(CC1CC1)C2=O ZINC000306124740 206197684 /nfs/dbraw/zinc/19/76/84/206197684.db2.gz BYACGOFNWXNZSX-GHTZIAJQSA-N 1 1 384.549 3.100 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2N1Cc1ccccn1 ZINC000306128833 206198197 /nfs/dbraw/zinc/19/81/97/206198197.db2.gz HMAALNHFXSDYKO-NHCUHLMSSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2N1Cc1ccccn1 ZINC000306128833 206198200 /nfs/dbraw/zinc/19/82/00/206198200.db2.gz HMAALNHFXSDYKO-NHCUHLMSSA-N 1 1 376.435 3.104 40 0 GGABMO C1=CC[C@H](C[N@@H+]2CC[C@]3(C2)COCc2cnc(NCC4CCOCC4)nc23)CC1 ZINC000306130430 206198213 /nfs/dbraw/zinc/19/82/13/206198213.db2.gz JGDBZTZDVOGHSK-CVDCTZTESA-N 1 1 398.551 3.145 40 0 GGABMO Cn1cc(CN2CCN(C)[C@H](c3[nH+]cn4cc(-c5ccccc5)ccc34)C2)cn1 ZINC000306130097 206198469 /nfs/dbraw/zinc/19/84/69/206198469.db2.gz IWBBNRYFYBCSIP-QFIPXVFZSA-N 1 1 386.503 3.224 40 0 GGABMO Cc1ccsc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306128700 206198518 /nfs/dbraw/zinc/19/85/18/206198518.db2.gz HIOHUJCSADKRCD-HOTGVXAUSA-N 1 1 393.516 3.205 40 0 GGABMO Cn1cc(CN2CCN(C)[C@@H](c3[nH+]cn4cc(-c5ccccc5)ccc34)C2)cn1 ZINC000306130096 206198546 /nfs/dbraw/zinc/19/85/46/206198546.db2.gz IWBBNRYFYBCSIP-JOCHJYFZSA-N 1 1 386.503 3.224 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2N1Cc1ccccn1 ZINC000306128835 206198794 /nfs/dbraw/zinc/19/87/94/206198794.db2.gz HMAALNHFXSDYKO-SFTDATJTSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2N1Cc1ccccn1 ZINC000306128835 206198797 /nfs/dbraw/zinc/19/87/97/206198797.db2.gz HMAALNHFXSDYKO-SFTDATJTSA-N 1 1 376.435 3.104 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4scnc4C)C[C@H]32)cs1 ZINC000306129296 206198908 /nfs/dbraw/zinc/19/89/08/206198908.db2.gz HZYCVCLRDPEPFL-DLBZAZTESA-N 1 1 399.545 3.099 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4scnc4C)C[C@H]32)cs1 ZINC000306129296 206198910 /nfs/dbraw/zinc/19/89/10/206198910.db2.gz HZYCVCLRDPEPFL-DLBZAZTESA-N 1 1 399.545 3.099 40 0 GGABMO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306128628 206199008 /nfs/dbraw/zinc/19/90/08/206199008.db2.gz HGJCMVIXHCGMDG-JOCHJYFZSA-N 1 1 384.487 3.280 40 0 GGABMO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306128628 206199011 /nfs/dbraw/zinc/19/90/11/206199011.db2.gz HGJCMVIXHCGMDG-JOCHJYFZSA-N 1 1 384.487 3.280 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4scnc4C)C[C@@H]32)cs1 ZINC000306129298 206199042 /nfs/dbraw/zinc/19/90/42/206199042.db2.gz HZYCVCLRDPEPFL-IRXDYDNUSA-N 1 1 399.545 3.099 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4scnc4C)C[C@@H]32)cs1 ZINC000306129298 206199045 /nfs/dbraw/zinc/19/90/45/206199045.db2.gz HZYCVCLRDPEPFL-IRXDYDNUSA-N 1 1 399.545 3.099 40 0 GGABMO CC(C)C[N@H+]1CCO[C@@]2(CCCC[C@@H]2NC(=O)c2ccc3c(c2)CCCO3)C1 ZINC000306128817 206199112 /nfs/dbraw/zinc/19/91/12/206199112.db2.gz HLJZDIINVADPLE-GMAHTHKFSA-N 1 1 386.536 3.411 40 0 GGABMO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306128629 206199453 /nfs/dbraw/zinc/19/94/53/206199453.db2.gz HGJCMVIXHCGMDG-QFIPXVFZSA-N 1 1 384.487 3.280 40 0 GGABMO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306128629 206199455 /nfs/dbraw/zinc/19/94/55/206199455.db2.gz HGJCMVIXHCGMDG-QFIPXVFZSA-N 1 1 384.487 3.280 40 0 GGABMO CC(C)C[N@H+]1CCO[C@]2(CCCC[C@@H]2NC(=O)c2ccc3c(c2)CCCO3)C1 ZINC000306128818 206200079 /nfs/dbraw/zinc/20/00/79/206200079.db2.gz HLJZDIINVADPLE-JTHBVZDNSA-N 1 1 386.536 3.411 40 0 GGABMO COc1ccccc1-c1cnc2n1C[C@]1(CC[N@@H+](Cc3cccnc3OC)C1)C2 ZINC000306132239 206201554 /nfs/dbraw/zinc/20/15/54/206201554.db2.gz LCPHKAVFOCOFBR-HSZRJFAPSA-N 1 1 390.487 3.411 40 0 GGABMO CC(C)n1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cn1 ZINC000306131622 206201586 /nfs/dbraw/zinc/20/15/86/206201586.db2.gz KKGXZYVUIFHIOE-LJQANCHMSA-N 1 1 393.539 3.487 40 0 GGABMO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccncc4)C2)OC3)c1 ZINC000306132551 206202044 /nfs/dbraw/zinc/20/20/44/206202044.db2.gz LLYMDWUXCPHUNB-QFIPXVFZSA-N 1 1 376.460 3.129 40 0 GGABMO Cc1ccsc1C[N@H+]1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306132851 206202148 /nfs/dbraw/zinc/20/21/48/206202148.db2.gz LUILVMPGBNDCTL-QGZVFWFLSA-N 1 1 397.548 3.315 40 0 GGABMO Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)S(=O)(=O)CC[C@H]3OCc2ccccc2)cc1 ZINC000306134123 206202285 /nfs/dbraw/zinc/20/22/85/206202285.db2.gz NDYIHPJYSFSBOX-VSKRKVRLSA-N 1 1 385.529 3.199 40 0 GGABMO Cc1ccc(C[N@H+]2C[C@H]3[C@H](C2)S(=O)(=O)CC[C@H]3OCc2ccccc2)cc1 ZINC000306134123 206202290 /nfs/dbraw/zinc/20/22/90/206202290.db2.gz NDYIHPJYSFSBOX-VSKRKVRLSA-N 1 1 385.529 3.199 40 0 GGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3nccs3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136294 206202901 /nfs/dbraw/zinc/20/29/01/206202901.db2.gz PPBBBUOZWTTXJD-DYESRHJHSA-N 1 1 399.564 3.149 40 0 GGABMO COc1ncccc1C[N@H+]1CC[C@@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 ZINC000306136542 206203444 /nfs/dbraw/zinc/20/34/44/206203444.db2.gz PWGYPTCZCMFOTB-JOCHJYFZSA-N 1 1 394.450 3.268 40 0 GGABMO Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)S(=O)(=O)CC[C@@H]3OCc2ccccc2)cc1 ZINC000306134122 206203511 /nfs/dbraw/zinc/20/35/11/206203511.db2.gz NDYIHPJYSFSBOX-FSSWDIPSSA-N 1 1 385.529 3.199 40 0 GGABMO Cc1ccc(C[N@H+]2C[C@H]3[C@H](C2)S(=O)(=O)CC[C@@H]3OCc2ccccc2)cc1 ZINC000306134122 206203514 /nfs/dbraw/zinc/20/35/14/206203514.db2.gz NDYIHPJYSFSBOX-FSSWDIPSSA-N 1 1 385.529 3.199 40 0 GGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cccnc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136108 206203713 /nfs/dbraw/zinc/20/37/13/206203713.db2.gz PJNLVGDXWMRPSK-NFBKMPQASA-N 1 1 393.535 3.087 40 0 GGABMO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3ccccn3)CC2)S1(=O)=O ZINC000306135272 206203747 /nfs/dbraw/zinc/20/37/47/206203747.db2.gz OMHPWPMTNRLWSE-UHFFFAOYSA-N 1 1 385.533 3.379 40 0 GGABMO Cc1ccsc1C[N@@H+]1C[C@H]2[C@H](C1)c1cc(-c3cnn(C)c3)ccc1S2(=O)=O ZINC000306136994 206203918 /nfs/dbraw/zinc/20/39/18/206203918.db2.gz QIMPDWXJQQAQHH-XLIONFOSSA-N 1 1 399.541 3.212 40 0 GGABMO Cc1ccsc1C[N@H+]1C[C@H]2[C@H](C1)c1cc(-c3cnn(C)c3)ccc1S2(=O)=O ZINC000306136994 206203921 /nfs/dbraw/zinc/20/39/21/206203921.db2.gz QIMPDWXJQQAQHH-XLIONFOSSA-N 1 1 399.541 3.212 40 0 GGABMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000012896622 221243266 /nfs/dbraw/zinc/24/32/66/221243266.db2.gz FMZSFBOMYUSRCL-INIZCTEOSA-N 1 1 381.476 3.373 40 0 GGABMO COc1ccc(/C=C(/C(=O)NCCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000408562548 533222956 /nfs/dbraw/zinc/22/29/56/533222956.db2.gz ANRQLFKZUWBFQP-RELWKKBWSA-N 1 1 380.488 3.074 40 0 GGABMO Fc1ccccc1N1CC[NH+](Cc2cc(-c3ccccc3)cn3nnnc23)CC1 ZINC000057731698 136154081 /nfs/dbraw/zinc/15/40/81/136154081.db2.gz KVNZULOCBADMTO-UHFFFAOYSA-N 1 1 388.450 3.253 40 0 GGABMO Cc1[nH]c2ccccc2c1C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000058230007 136155100 /nfs/dbraw/zinc/15/51/00/136155100.db2.gz LHTYBKUGIDCOQP-QGZVFWFLSA-N 1 1 376.504 3.417 40 0 GGABMO CCN1C[C@@H](C[N@@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)Oc2ccccc21 ZINC000069876703 136165288 /nfs/dbraw/zinc/16/52/88/136165288.db2.gz WMYTWYREQLPFFY-QGZVFWFLSA-N 1 1 398.894 3.067 40 0 GGABMO C[C@H](CC[N@H+]1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000072335590 136168312 /nfs/dbraw/zinc/16/83/12/136168312.db2.gz OFDBNDGNKASTIQ-KZNAEPCWSA-N 1 1 396.535 3.348 40 0 GGABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000019527136 521653468 /nfs/dbraw/zinc/65/34/68/521653468.db2.gz XSEVLJIDLWZVEW-SFHVURJKSA-N 1 1 398.576 3.425 40 0 GGABMO C[N@@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)c1ccccc1-c1ccccc1)C2 ZINC000019767319 523854542 /nfs/dbraw/zinc/85/45/42/523854542.db2.gz FCLOIRVQFPMWDN-FQEVSTJZSA-N 1 1 387.487 3.368 40 0 GGABMO C[N@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)c1ccccc1-c1ccccc1)C2 ZINC000019767319 523854546 /nfs/dbraw/zinc/85/45/46/523854546.db2.gz FCLOIRVQFPMWDN-FQEVSTJZSA-N 1 1 387.487 3.368 40 0 GGABMO c1cc(C[NH+]2CCN(c3ncnc4sc5c(c43)CCC5)CC2)cc2c1OCO2 ZINC000000808336 526423947 /nfs/dbraw/zinc/42/39/47/526423947.db2.gz WAGXGVXARVIPIQ-UHFFFAOYSA-N 1 1 394.500 3.231 40 0 GGABMO CC1=C[C@H](C)[C@H](C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)CC1 ZINC000072335584 535252112 /nfs/dbraw/zinc/25/21/12/535252112.db2.gz ZXYQNHFYMWQQER-FJIDUMEYSA-N 1 1 386.540 3.146 40 0 GGABMO COc1ccc(/C=C/C[N@@H+]2CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C2)cc1 ZINC000072335669 536596516 /nfs/dbraw/zinc/59/65/16/536596516.db2.gz MPPKTXKSVKUKHK-ONEGZZNKSA-N 1 1 394.519 3.499 40 0 GGABMO COc1ccc(/C=C/C[N@H+]2CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C2)cc1 ZINC000072335669 536596523 /nfs/dbraw/zinc/59/65/23/536596523.db2.gz MPPKTXKSVKUKHK-ONEGZZNKSA-N 1 1 394.519 3.499 40 0 GGABMO CCC(CC)C(=O)N1CCN2[C@@H](C1)C[N@@H+](Cc1ccc(OC)cc1)CC2(C)C ZINC000253403947 560040427 /nfs/dbraw/zinc/04/04/27/560040427.db2.gz QRMLHRBLOXDMKM-HXUWFJFHSA-N 1 1 387.568 3.238 40 0 biogenic,in-vitro GGABMO COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)C4CCCCC4)CCN3C(C)(C)C2)cc1 ZINC000253400720 560040489 /nfs/dbraw/zinc/04/04/89/560040489.db2.gz LNZRGCIBIOOTIN-OAQYLSRUSA-N 1 1 399.579 3.383 40 0 biogenic,in-vitro GGABMO CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C ZINC000012602121 560091254 /nfs/dbraw/zinc/09/12/54/560091254.db2.gz UOJAFAZGXXNPCF-UHOSZYNNSA-N 1 1 399.514 3.112 40 0 biogenic,in-vitro GGABMO CC(C)n1cc2c3c1cccc3[C@@H]1C[C@@H](C(=O)N[C@H]3CCC[C@H]3O)C[N@@H+](C)[C@@H]1C2 ZINC000005138466 560200782 /nfs/dbraw/zinc/20/07/82/560200782.db2.gz IMSDOBUYDTVEHN-ZLJPILQHSA-N 1 1 395.547 3.212 40 0 in-vitro GGABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@H+](C2CCOCC2)C1 ZINC000015674168 560230898 /nfs/dbraw/zinc/23/08/98/560230898.db2.gz FWZAVDMBNOPIHX-CABCVRRESA-N 1 1 383.370 3.042 40 0 biogenic,in-vitro GGABMO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000003585280 564198957 /nfs/dbraw/zinc/19/89/57/564198957.db2.gz YLPZRFZDOHNJET-UHFFFAOYSA-N 1 1 390.281 3.478 40 0 GGABMO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000003585280 564198960 /nfs/dbraw/zinc/19/89/60/564198960.db2.gz YLPZRFZDOHNJET-UHFFFAOYSA-N 1 1 390.281 3.478 40 0 GGABMO C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008723911 564250861 /nfs/dbraw/zinc/25/08/61/564250861.db2.gz QJGJZBIBZMBPFS-ZCFIWIBFSA-N 1 1 391.806 3.433 40 0 GGABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000012994954 564273685 /nfs/dbraw/zinc/27/36/85/564273685.db2.gz AAZYJSVQIUROPA-UHFFFAOYSA-N 1 1 389.293 3.211 40 0 GGABMO O=C(NCCC[NH+]1CCOCC1)c1cccc2c(Br)cccc12 ZINC000015228179 564285503 /nfs/dbraw/zinc/28/55/03/564285503.db2.gz BKLQLYNHGPNCRI-UHFFFAOYSA-N 1 1 377.282 3.054 40 0 GGABMO COc1ccc(Cl)cc1NC(=O)CN1CC[NH+](Cc2cccs2)CC1 ZINC000019540020 564303159 /nfs/dbraw/zinc/30/31/59/564303159.db2.gz JNTNDBVWHZVVPA-UHFFFAOYSA-N 1 1 379.913 3.166 40 0 GGABMO CCOc1c(Br)cc(Br)cc1C[NH2+]CCN(C)C ZINC000022074930 564314017 /nfs/dbraw/zinc/31/40/17/564314017.db2.gz RTZRBKUYRXYWKW-UHFFFAOYSA-N 1 1 380.124 3.262 40 0 GGABMO COCC[N@H+]1CCc2nc(SCc3c(F)cccc3Cl)[nH]c(=O)c2C1 ZINC000033287212 564412702 /nfs/dbraw/zinc/41/27/02/564412702.db2.gz BPLXUWXNFIOHKI-UHFFFAOYSA-N 1 1 383.876 3.272 40 0 GGABMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000038629176 564423222 /nfs/dbraw/zinc/42/32/22/564423222.db2.gz ABHBPHQGBFVIJA-CYBMUJFWSA-N 1 1 378.441 3.348 40 0 GGABMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(Cl)cc1I ZINC000048106431 564531597 /nfs/dbraw/zinc/53/15/97/564531597.db2.gz SPIWHHFQVCLKDZ-UHFFFAOYSA-N 1 1 394.684 3.405 40 0 GGABMO [NH3+][C@H](c1nnc(-c2ccc(I)cc2)[nH]1)c1ccc(F)cc1 ZINC000095533299 564899929 /nfs/dbraw/zinc/89/99/29/564899929.db2.gz UCQOPDHCHMICHW-ZDUSSCGKSA-N 1 1 394.191 3.264 40 0 GGABMO CCOc1cc([C@H]([NH3+])c2nc(-c3ccc(Br)o3)n[nH]2)ccc1OC ZINC000095534468 564900048 /nfs/dbraw/zinc/90/00/48/564900048.db2.gz NTSCYUOCEPDHJR-AWEZNQCLSA-N 1 1 393.241 3.283 40 0 GGABMO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccc(Br)o3)n[nH]2)cc1OC ZINC000095534324 564900222 /nfs/dbraw/zinc/90/02/22/564900222.db2.gz RRYURFCJSUYTTJ-AWEZNQCLSA-N 1 1 393.241 3.283 40 0 GGABMO Cc1nc(C[NH+]2CCC3(C[C@@H](NC(=O)c4cccs4)CO3)CC2)cs1 ZINC000096221233 564901101 /nfs/dbraw/zinc/90/11/01/564901101.db2.gz QOEPNHOOLCNMCW-CQSZACIVSA-N 1 1 377.535 3.067 40 0 GGABMO CCOC[C@]1([NH3+])[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000217927034 565898395 /nfs/dbraw/zinc/89/83/95/565898395.db2.gz RXWIMFXGLWKALU-BZSNNMDCSA-N 1 1 383.872 3.153 40 0 GGABMO CCOC[C@@]1([NH3+])[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000217926959 565898463 /nfs/dbraw/zinc/89/84/63/565898463.db2.gz RXWIMFXGLWKALU-OKZBNKHCSA-N 1 1 383.872 3.153 40 0 GGABMO CCOC[C@@]1([NH3+])[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000217926807 565898722 /nfs/dbraw/zinc/89/87/22/565898722.db2.gz RXWIMFXGLWKALU-FGTMMUONSA-N 1 1 383.872 3.153 40 0 GGABMO CCOC[C@@]1([NH3+])[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218658794 565901059 /nfs/dbraw/zinc/90/10/59/565901059.db2.gz FGIDHNHMDHHYER-FGTMMUONSA-N 1 1 383.872 3.153 40 0 GGABMO COC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000242463448 565983504 /nfs/dbraw/zinc/98/35/04/565983504.db2.gz DBJSAMHFVZSXHL-ZACQAIPSSA-N 1 1 386.300 3.277 40 0 GGABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242495513 565983579 /nfs/dbraw/zinc/98/35/79/565983579.db2.gz GGYIXJADWVAUAQ-OTWHNJEPSA-N 1 1 379.909 3.322 40 0 GGABMO CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2([NH3+])COC)cc1 ZINC000242648952 565983758 /nfs/dbraw/zinc/98/37/58/565983758.db2.gz RMDUYHBZGAMADG-QYZOEREBSA-N 1 1 379.909 3.186 40 0 GGABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000242473322 565984242 /nfs/dbraw/zinc/98/42/42/565984242.db2.gz FGIDHNHMDHHYER-KURKYZTESA-N 1 1 383.872 3.153 40 0 GGABMO CCc1[nH+]ccn1[C@@H](C)C(=O)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000019718529 570209819 /nfs/dbraw/zinc/20/98/19/570209819.db2.gz ZDJQKSDHOKVCDH-AWEZNQCLSA-N 1 1 380.414 3.374 40 0 GGABMO Cc1nc2ccc(Cl)cc2cc1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000019718654 570209851 /nfs/dbraw/zinc/20/98/51/570209851.db2.gz RNEZDBWZUXSLGZ-LJQANCHMSA-N 1 1 375.900 3.283 40 0 GGABMO CCc1[nH+]ccn1[C@H](C)C(=O)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000019718530 570209899 /nfs/dbraw/zinc/20/98/99/570209899.db2.gz ZDJQKSDHOKVCDH-CQSZACIVSA-N 1 1 380.414 3.374 40 0 GGABMO O=C(c1ccno1)N1CC[C@]2(c3ccccc3)C[N@@H+](Cc3ccco3)C[C@H]2C1 ZINC000096083311 570210074 /nfs/dbraw/zinc/21/00/74/570210074.db2.gz DKQYEDBHPDQKAK-PGRDOPGGSA-N 1 1 377.444 3.184 40 0 GGABMO Cc1nn(-c2ccc(F)cc2)c(C)c1-c1cncn1[C@@H](C)C[NH+]1CCOCC1 ZINC000019719649 570210624 /nfs/dbraw/zinc/21/06/24/570210624.db2.gz UGXQHTRYBLIRDW-HNNXBMFYSA-N 1 1 383.471 3.385 40 0 GGABMO Cc1[nH+]ccn1CCCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCO1 ZINC000019740022 570212292 /nfs/dbraw/zinc/21/22/92/570212292.db2.gz POAATOKXVFOKRF-JOCHJYFZSA-N 1 1 394.475 3.145 40 0 GGABMO Cc1cc2ncc(C[NH+](C)C)c([C@@H]3CCCN3C(=O)CCc3ccccc3)n2n1 ZINC000019743643 570213127 /nfs/dbraw/zinc/21/31/27/570213127.db2.gz BPGCWPYVUHJLAW-FQEVSTJZSA-N 1 1 391.519 3.396 40 0 GGABMO Cc1ccc(C(=O)N2CCC3(C[N@H+](CC(C)C)C[C@@]34CCNC4=O)CC2)cc1C ZINC000096144143 570213511 /nfs/dbraw/zinc/21/35/11/570213511.db2.gz PKHPKDOJVGKZBT-XMMPIXPASA-N 1 1 397.563 3.004 40 0 GGABMO CC(C)c1ncc(C[N@H+]2CC[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cn1 ZINC000019747986 570214311 /nfs/dbraw/zinc/21/43/11/570214311.db2.gz MSTOMXPKZNXYMG-IBGZPJMESA-N 1 1 391.519 3.262 40 0 GGABMO Cc1c(C[N@H+]2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cnn1C ZINC000019752567 570215855 /nfs/dbraw/zinc/21/58/55/570215855.db2.gz WFFRVIMLQDTVOP-IBGZPJMESA-N 1 1 394.567 3.369 40 0 GGABMO CC(C)NC(=O)c1cc([C@@H]2CC[N@@H+](Cc3ccnn3C)C2)nc2ccccc21 ZINC000019762675 570216991 /nfs/dbraw/zinc/21/69/91/570216991.db2.gz RKILAZRJSQSOTF-MRXNPFEDSA-N 1 1 377.492 3.096 40 0 GGABMO O=C(NCc1cccnc1)N1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216357 570219454 /nfs/dbraw/zinc/21/94/54/570219454.db2.gz ROHFIBJGTHDEQY-QHCPKHFHSA-N 1 1 394.519 3.158 40 0 GGABMO Cc1cccc(C(=O)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC000096221015 570220101 /nfs/dbraw/zinc/22/01/01/570220101.db2.gz DBAKYKXWCHSVPZ-HXUWFJFHSA-N 1 1 379.504 3.286 40 0 GGABMO C[C@H](CNC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1)c1ccccc1 ZINC000096225727 570220375 /nfs/dbraw/zinc/22/03/75/570220375.db2.gz SSUPLQIVQZNEJH-HXOBKFHXSA-N 1 1 395.478 3.466 40 0 GGABMO C[C@H](CNC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1)c1ccccc1 ZINC000096225727 570220376 /nfs/dbraw/zinc/22/03/76/570220376.db2.gz SSUPLQIVQZNEJH-HXOBKFHXSA-N 1 1 395.478 3.466 40 0 GGABMO O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228788 570221262 /nfs/dbraw/zinc/22/12/62/570221262.db2.gz GMISYGZEJYTMBX-DEOSSOPVSA-N 1 1 393.531 3.442 40 0 GGABMO Cc1ccc(C(=O)N2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc1C ZINC000096239883 570222240 /nfs/dbraw/zinc/22/22/40/570222240.db2.gz YELMJVBERSSRIM-UHFFFAOYSA-N 1 1 393.531 3.453 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@]3(C2)COCc2c(C)nc(NCC4CC4)nc23)cc1 ZINC000096244497 570223635 /nfs/dbraw/zinc/22/36/35/570223635.db2.gz FKPAZSOVEZBAHY-QHCPKHFHSA-N 1 1 394.519 3.289 40 0 GGABMO COc1cccc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)c1 ZINC000096244274 570223685 /nfs/dbraw/zinc/22/36/85/570223685.db2.gz ISOVRLMJLFXKMS-HSZRJFAPSA-N 1 1 388.471 3.221 40 0 GGABMO Cn1nc(C[NH+]2CCCCC2)c2c1CN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096259135 570225294 /nfs/dbraw/zinc/22/52/94/570225294.db2.gz YAVURWVJTGIKGD-UHFFFAOYSA-N 1 1 375.476 3.110 40 0 GGABMO CC(C)CNc1nc2c(cc1C(=O)NC(C)C)CC[N@@H+](Cc1ccccn1)CC2 ZINC000096260527 570225882 /nfs/dbraw/zinc/22/58/82/570225882.db2.gz ITWPWLNVPJXCDI-UHFFFAOYSA-N 1 1 395.551 3.284 40 0 GGABMO O=S1(=O)c2ccccc2[C@]2(CC[N@@H+](CC3CC3)C2)N1Cc1ccc(F)cc1 ZINC000096261957 570226267 /nfs/dbraw/zinc/22/62/67/570226267.db2.gz PUXLBQATTFYTJM-OAQYLSRUSA-N 1 1 386.492 3.341 40 0 GGABMO C[N@H+]1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)Nc3ccccc3)CC[C@@H]12 ZINC000096263616 570226509 /nfs/dbraw/zinc/22/65/09/570226509.db2.gz HUVIIVSWXHAPGS-DENIHFKCSA-N 1 1 393.491 3.039 40 0 GGABMO C[NH+]1CCN(C(=O)c2cc(-c3cn(Cc4ccccc4)cn3)n3ccccc23)CC1 ZINC000096266784 570227180 /nfs/dbraw/zinc/22/71/80/570227180.db2.gz XBONNGLFTNGAHT-UHFFFAOYSA-N 1 1 399.498 3.239 40 0 GGABMO Cc1cc(O[C@H]2C[N@@H+](Cc3ccc(OCCO)cc3)C[C@@H]2O)cc(C(C)C)c1 ZINC000585267851 570233521 /nfs/dbraw/zinc/23/35/21/570233521.db2.gz KANXNPXWXOGNDN-GOTSBHOMSA-N 1 1 385.504 3.114 40 0 GGABMO Cn1ccnc1[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000048332928 570237135 /nfs/dbraw/zinc/23/71/35/570237135.db2.gz NBVHEYSLFBXYID-FQEVSTJZSA-N 1 1 382.895 3.411 40 0 GGABMO Cn1ccnc1[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000048332928 570237138 /nfs/dbraw/zinc/23/71/38/570237138.db2.gz NBVHEYSLFBXYID-FQEVSTJZSA-N 1 1 382.895 3.411 40 0 GGABMO Cn1ccnc1[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000048332927 570237184 /nfs/dbraw/zinc/23/71/84/570237184.db2.gz NBVHEYSLFBXYID-HXUWFJFHSA-N 1 1 382.895 3.411 40 0 GGABMO Cn1ccnc1[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000048332927 570237187 /nfs/dbraw/zinc/23/71/87/570237187.db2.gz NBVHEYSLFBXYID-HXUWFJFHSA-N 1 1 382.895 3.411 40 0 GGABMO Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cccc(CN3CCOCC3)c2)c(C)c1 ZINC000585272895 570241316 /nfs/dbraw/zinc/24/13/16/570241316.db2.gz NIFKXEOXZXCPEP-QHCPKHFHSA-N 1 1 398.547 3.007 40 0 GGABMO Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2cccc(CN3CCOCC3)c2)c(C)c1 ZINC000585272890 570241621 /nfs/dbraw/zinc/24/16/21/570241621.db2.gz NIFKXEOXZXCPEP-HSZRJFAPSA-N 1 1 398.547 3.007 40 0 GGABMO Cc1cc(C)cc(O[C@H]2C[N@@H+](Cc3ccc(OCC(C)(C)O)cc3)C[C@@H]2O)c1 ZINC000585273507 570242114 /nfs/dbraw/zinc/24/21/14/570242114.db2.gz WEWXFVZGWMISKN-VXKWHMMOSA-N 1 1 385.504 3.077 40 0 GGABMO O[C@]1(COc2ccc(Cl)cc2)COCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585273642 570242901 /nfs/dbraw/zinc/24/29/01/570242901.db2.gz QIIKNNHMXRTRDX-NRFANRHFSA-N 1 1 386.879 3.464 40 0 GGABMO CC(=O)N1CCCC[C@H]2C[N@@H+](CC3(O)CCN(c4cccc(C)c4)CC3)CC[C@H]21 ZINC000585282515 570250372 /nfs/dbraw/zinc/25/03/72/570250372.db2.gz FLQAWMQPIJJFRK-JTHBVZDNSA-N 1 1 399.579 3.049 40 0 GGABMO CC(=O)N1CCC([N@H+]2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)C2)CC1 ZINC000585283606 570251855 /nfs/dbraw/zinc/25/18/55/570251855.db2.gz SIPAOVIESHTAEJ-OAQYLSRUSA-N 1 1 394.943 3.173 40 0 GGABMO CC(=O)N1CCCC[C@H]2C[N@@H+](CC3(O)CCN(c4ccc(C)cc4)CC3)CC[C@H]21 ZINC000585283993 570252213 /nfs/dbraw/zinc/25/22/13/570252213.db2.gz QLIWUKRNUWGVRR-JTHBVZDNSA-N 1 1 399.579 3.049 40 0 GGABMO CC(=O)N1CCCC[C@@H]2[C@H]1CCC[N@H+]2CC1(O)CCN(c2ccc(C)cc2)CC1 ZINC000585284033 570252241 /nfs/dbraw/zinc/25/22/41/570252241.db2.gz QSFPPNOHFIEKKE-DHIUTWEWSA-N 1 1 399.579 3.192 40 0 GGABMO CC(=O)N1CCCC[C@H]2C[N@@H+](CC3(O)CCN(c4ccccc4C)CC3)CC[C@H]21 ZINC000585284426 570253362 /nfs/dbraw/zinc/25/33/62/570253362.db2.gz RYOFMKJZELWTSG-JTHBVZDNSA-N 1 1 399.579 3.049 40 0 GGABMO FC(F)(F)c1nc(-c2ccc([C@@H]3CCC[N@@H+](Cc4cn[nH]c4)C3)nc2)no1 ZINC000585289441 570257459 /nfs/dbraw/zinc/25/74/59/570257459.db2.gz GJODIPRMBTYCOJ-CYBMUJFWSA-N 1 1 378.358 3.253 40 0 GGABMO CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000017078006 570258273 /nfs/dbraw/zinc/25/82/73/570258273.db2.gz FICASSUTUHXFLJ-QGZVFWFLSA-N 1 1 381.524 3.337 40 0 GGABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@H+]1Cc1ccccc1Br ZINC000585292759 570261075 /nfs/dbraw/zinc/26/10/75/570261075.db2.gz NQOJQEGPZIPCLR-KBAYOESNSA-N 1 1 396.712 3.424 40 0 GGABMO C=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)S[C@@H]2[C@H]([NH3+])C(=O)N2C1 ZINC000098177459 570263552 /nfs/dbraw/zinc/26/35/52/570263552.db2.gz ZEZLOSHIDUQRIO-DYESRHJHSA-N 1 1 392.480 3.002 40 0 GGABMO C=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)S[C@@H]2[C@@H]([NH3+])C(=O)N2C1 ZINC000098177461 570263570 /nfs/dbraw/zinc/26/35/70/570263570.db2.gz ZEZLOSHIDUQRIO-LAUBAEHRSA-N 1 1 392.480 3.002 40 0 GGABMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2Br)[C@H](CO)[C@@H]1O ZINC000585295382 570279744 /nfs/dbraw/zinc/27/97/44/570279744.db2.gz XJBVHVMLAGVBMF-BHIYHBOVSA-N 1 1 376.294 3.079 40 0 GGABMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000012915834 570292986 /nfs/dbraw/zinc/29/29/86/570292986.db2.gz MLPIMVKXGVRPNH-NSHDSACASA-N 1 1 392.381 3.334 40 0 GGABMO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000012915834 570292988 /nfs/dbraw/zinc/29/29/88/570292988.db2.gz MLPIMVKXGVRPNH-NSHDSACASA-N 1 1 392.381 3.334 40 0 GGABMO Cc1ccc(N2C[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1C ZINC000021450431 570296011 /nfs/dbraw/zinc/29/60/11/570296011.db2.gz HOLJDFBZMDHSAJ-OAQYLSRUSA-N 1 1 391.515 3.001 40 0 GGABMO CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000022276640 570311812 /nfs/dbraw/zinc/31/18/12/570311812.db2.gz FCJVWNWYKSYYHT-NRFANRHFSA-N 1 1 387.568 3.346 40 0 GGABMO O=c1[nH]c(CNc2ccc(C[NH+]3CCOCC3)cc2)nc2cc(Cl)ccc21 ZINC000022386229 570315704 /nfs/dbraw/zinc/31/57/04/570315704.db2.gz QHOPCNTWZHUIDG-UHFFFAOYSA-N 1 1 384.867 3.021 40 0 GGABMO Cc1ccccc1C[NH+]1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000023638941 570328872 /nfs/dbraw/zinc/32/88/72/570328872.db2.gz GHKGBWUFGRQVDH-UHFFFAOYSA-N 1 1 391.515 3.009 40 0 GGABMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000007449272 570335524 /nfs/dbraw/zinc/33/55/24/570335524.db2.gz RUMJSJSRRROLSH-QWHCGFSZSA-N 1 1 388.386 3.187 40 0 GGABMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000007449272 570335526 /nfs/dbraw/zinc/33/55/26/570335526.db2.gz RUMJSJSRRROLSH-QWHCGFSZSA-N 1 1 388.386 3.187 40 0 GGABMO COc1ccc(C[NH+]2CCN(c3nnc(C)c4ccccc43)CC2)cc1OC ZINC000024094189 570345311 /nfs/dbraw/zinc/34/53/11/570345311.db2.gz TXGSPWJGCHIBMH-UHFFFAOYSA-N 1 1 378.476 3.278 40 0 GGABMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000023425070 570362172 /nfs/dbraw/zinc/36/21/72/570362172.db2.gz UZKOLCLHFGSWRI-KRWDZBQOSA-N 1 1 378.875 3.349 40 0 GGABMO COc1cc(C[N@H+](C)CC(=O)N2CCc3ccccc3C2)ccc1OC(F)F ZINC000016377909 570376775 /nfs/dbraw/zinc/37/67/75/570376775.db2.gz NGNRHPZXXWGCDP-UHFFFAOYSA-N 1 1 390.430 3.313 40 0 GGABMO COc1cc(C[N@@H+](C)CC(=O)N2CCc3ccccc3C2)ccc1OC(F)F ZINC000016377909 570376777 /nfs/dbraw/zinc/37/67/77/570376777.db2.gz NGNRHPZXXWGCDP-UHFFFAOYSA-N 1 1 390.430 3.313 40 0 GGABMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C[C@@H](C)O1 ZINC000024959838 570379964 /nfs/dbraw/zinc/37/99/64/570379964.db2.gz IIGQEJOGAJWRQT-WOJBJXKFSA-N 1 1 393.531 3.258 40 0 GGABMO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024193313 570380362 /nfs/dbraw/zinc/38/03/62/570380362.db2.gz DRXQRCQEUZZQMS-INIZCTEOSA-N 1 1 388.895 3.256 40 0 GGABMO CCN1CC[NH+](Cc2ccc(CNC(=O)/C=C/c3cccc(OC)c3)cc2)CC1 ZINC000032932414 570397356 /nfs/dbraw/zinc/39/73/56/570397356.db2.gz BPRBUDGHNXBFID-VAWYXSNFSA-N 1 1 393.531 3.162 40 0 GGABMO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)c(C(C)(C)C)c1 ZINC000027531054 570407368 /nfs/dbraw/zinc/40/73/68/570407368.db2.gz LSCWLMQAONRFEI-IBGZPJMESA-N 1 1 383.536 3.249 40 0 GGABMO CCc1ccc2oc(=O)cc(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2c1 ZINC000028571616 570461554 /nfs/dbraw/zinc/46/15/54/570461554.db2.gz ZCSWBPBKDNBKQC-FUHWJXTLSA-N 1 1 376.456 3.136 40 0 GGABMO COCCOc1cc(C[N@@H+](C)C[C@H](O)Cn2ccc3ccccc32)ccc1OC ZINC000257209389 570487481 /nfs/dbraw/zinc/48/74/81/570487481.db2.gz BQECFMVEZIFSKI-FQEVSTJZSA-N 1 1 398.503 3.168 40 0 GGABMO CC(C)(Cc1ccccc1)NC(=O)C[N@@H+]1CCC[C@](O)(COc2ccccc2)C1 ZINC000257203965 570487520 /nfs/dbraw/zinc/48/75/20/570487520.db2.gz ASJXKLBSVRMXPE-XMMPIXPASA-N 1 1 396.531 3.030 40 0 GGABMO CC(C)(Cc1ccccc1)NC(=O)C[N@H+]1CCC[C@](O)(COc2ccccc2)C1 ZINC000257203965 570487524 /nfs/dbraw/zinc/48/75/24/570487524.db2.gz ASJXKLBSVRMXPE-XMMPIXPASA-N 1 1 396.531 3.030 40 0 GGABMO O=C(NCCC[NH+]1CCOCC1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000030868702 570500266 /nfs/dbraw/zinc/50/02/66/570500266.db2.gz KSMVOJZEBNRMMW-UHFFFAOYSA-N 1 1 393.531 3.092 40 0 GGABMO CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224729734 570527444 /nfs/dbraw/zinc/52/74/44/570527444.db2.gz VXSLECTVUGHLCO-QFIPXVFZSA-N 1 1 398.503 3.001 40 0 GGABMO CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000035883564 570552224 /nfs/dbraw/zinc/55/22/24/570552224.db2.gz OILOJSRFFAWWFA-KLDKWKSESA-N 1 1 393.531 3.109 40 0 GGABMO C[NH+]1CCN(C(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)CC1 ZINC000036182112 570560799 /nfs/dbraw/zinc/56/07/99/570560799.db2.gz WOGYJPPSWWCQEW-UHFFFAOYSA-N 1 1 378.501 3.189 40 0 GGABMO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022925228 570580591 /nfs/dbraw/zinc/58/05/91/570580591.db2.gz MEANXMSJBUAAKA-VXKWHMMOSA-N 1 1 397.494 3.302 40 0 GGABMO C[C@@H](c1cccc(F)c1)n1cc(C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)nn1 ZINC000012113282 570609256 /nfs/dbraw/zinc/60/92/56/570609256.db2.gz KANRNHBJMFSSEH-BBWFWOEESA-N 1 1 387.503 3.409 40 0 GGABMO Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000004162238 570620685 /nfs/dbraw/zinc/62/06/85/570620685.db2.gz KAZMLEVQJBJWJG-KXBFYZLASA-N 1 1 394.523 3.399 40 0 GGABMO Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000004162238 570620686 /nfs/dbraw/zinc/62/06/86/570620686.db2.gz KAZMLEVQJBJWJG-KXBFYZLASA-N 1 1 394.523 3.399 40 0 GGABMO CCOc1ccccc1NC(=O)C[NH+]1CCC(n2nnc3cc(C)ccc32)CC1 ZINC000004895335 570636870 /nfs/dbraw/zinc/63/68/70/570636870.db2.gz NNMWXQUSZAAACE-UHFFFAOYSA-N 1 1 393.491 3.414 40 0 GGABMO CC(C)(CN1CC[C@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1)C[NH+]1CCCCC1 ZINC000012365901 570646476 /nfs/dbraw/zinc/64/64/76/570646476.db2.gz WMMKJPVPDLJFNN-SFHVURJKSA-N 1 1 387.572 3.084 40 0 GGABMO COCCNC(=O)Cn1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)c2ccccc21 ZINC000012363912 570646747 /nfs/dbraw/zinc/64/67/47/570646747.db2.gz FIEHKNXLUOFSSH-FQEVSTJZSA-N 1 1 391.515 3.393 40 0 GGABMO CCn1cc[nH+]c1N1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000012444584 570678856 /nfs/dbraw/zinc/67/88/56/570678856.db2.gz KECDQFKEUFWJRT-UHFFFAOYSA-N 1 1 376.888 3.063 40 0 GGABMO Cc1nc2cc([C@@H]3CC[N@@H+](CC(C)(C)C[NH+]4CCCCC4)C3)[n-]n2c(=O)c1C ZINC000012745627 570708351 /nfs/dbraw/zinc/70/83/51/570708351.db2.gz ODJHUILWONQHSY-GOSISDBHSA-N 1 1 385.556 3.353 40 0 GGABMO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]Cc3ccccn3)o2)c1 ZINC000006871723 570752277 /nfs/dbraw/zinc/75/22/77/570752277.db2.gz CZQGISWJFPYTJV-UHFFFAOYSA-N 1 1 380.400 3.205 40 0 GGABMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1c2c(nc3ccccc31)CCC2 ZINC000022200720 570801637 /nfs/dbraw/zinc/80/16/37/570801637.db2.gz CRWBTCIQXQVWPI-UHFFFAOYSA-N 1 1 393.531 3.488 40 0 GGABMO COc1cc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)cc(OC)c1OC ZINC000003236190 570839694 /nfs/dbraw/zinc/83/96/94/570839694.db2.gz RZQFFVUCOQHHBQ-HKUYNNGSSA-N 1 1 396.487 3.469 40 0 GGABMO O=C(C[C@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013609534 570861039 /nfs/dbraw/zinc/86/10/39/570861039.db2.gz YGGKPFOFVPQMIO-HZSPNIEDSA-N 1 1 389.805 3.087 40 0 GGABMO COc1ccc(N2C(=O)C[C@H]([N@H+](Cc3ccccc3)C3CC3)C2=O)c(OC)c1 ZINC000102815162 570865390 /nfs/dbraw/zinc/86/53/90/570865390.db2.gz SASBEWQBFYQLBZ-IBGZPJMESA-N 1 1 380.444 3.000 40 0 GGABMO COc1ccc(N2C(=O)C[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2=O)c(OC)c1 ZINC000102815162 570865392 /nfs/dbraw/zinc/86/53/92/570865392.db2.gz SASBEWQBFYQLBZ-IBGZPJMESA-N 1 1 380.444 3.000 40 0 GGABMO C[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(cc1Cl)OCO2 ZINC000013991902 570868920 /nfs/dbraw/zinc/86/89/20/570868920.db2.gz HQIAMYOEJVMLAF-LBPRGKRZSA-N 1 1 377.824 3.180 40 0 GGABMO C[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(cc1Cl)OCO2 ZINC000013991902 570868925 /nfs/dbraw/zinc/86/89/25/570868925.db2.gz HQIAMYOEJVMLAF-LBPRGKRZSA-N 1 1 377.824 3.180 40 0 GGABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccnn1[C@H]1CCCCO1)Cc1ccccn1 ZINC000257283762 570902546 /nfs/dbraw/zinc/90/25/46/570902546.db2.gz OZTWTTDLLHEPNA-RBBKRZOGSA-N 1 1 383.540 3.464 40 0 GGABMO O=C(CN1C(=O)CC[C@@]12CCC[N@@H+](CC1CCCCC1)CC2)N1CCCC1 ZINC000585100054 570924197 /nfs/dbraw/zinc/92/41/97/570924197.db2.gz DKLHIIGPXWOIPB-JOCHJYFZSA-N 1 1 375.557 3.036 40 0 GGABMO CC(C)CC[N@H+]1CCC[C@@]2(CCCN2C(=O)CNC(=O)c2ccccc2)CC1 ZINC000585100682 570925364 /nfs/dbraw/zinc/92/53/64/570925364.db2.gz SRXDUPPFAKTZDF-HSZRJFAPSA-N 1 1 385.552 3.310 40 0 GGABMO CCn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)cn1 ZINC000585099836 570925799 /nfs/dbraw/zinc/92/57/99/570925799.db2.gz GCVJUQMURNPRKY-OAQYLSRUSA-N 1 1 385.512 3.055 40 0 GGABMO CC(C)c1cc(C(=O)N2CCC[C@@]23CCC[N@@H+](C[C@H]2CCCO2)CC3)no1 ZINC000585099932 570926409 /nfs/dbraw/zinc/92/64/09/570926409.db2.gz AKDNTXZIWYMOMO-DYESRHJHSA-N 1 1 375.513 3.438 40 0 GGABMO CC(C)c1cc(C(=O)N2CCC[C@]23CCC[N@@H+](C[C@H]2CCCO2)CC3)no1 ZINC000585099934 570926478 /nfs/dbraw/zinc/92/64/78/570926478.db2.gz AKDNTXZIWYMOMO-UTKZUKDTSA-N 1 1 375.513 3.438 40 0 GGABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019500661 570926695 /nfs/dbraw/zinc/92/66/95/570926695.db2.gz XRTXEZCCIDCWAO-OAQYLSRUSA-N 1 1 394.498 3.129 40 0 GGABMO Cc1ncc(C[N@@H+]2CC[C@@]23CCCN(C(=O)c2nnsc2C2CC2)C3)s1 ZINC000585102073 570927930 /nfs/dbraw/zinc/92/79/30/570927930.db2.gz QHENPZZIMCSPTC-GOSISDBHSA-N 1 1 389.550 3.061 40 0 GGABMO Cc1ncc(C[N@H+]2CC[C@@]23CCCN(C(=O)c2nnsc2C2CC2)C3)s1 ZINC000585102073 570927934 /nfs/dbraw/zinc/92/79/34/570927934.db2.gz QHENPZZIMCSPTC-GOSISDBHSA-N 1 1 389.550 3.061 40 0 GGABMO Cc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2CCNC(=O)C1CC(F)(F)C1 ZINC000585103597 570929057 /nfs/dbraw/zinc/92/90/57/570929057.db2.gz YGSZSAMVCCJEFF-SFHVURJKSA-N 1 1 378.463 3.138 40 0 GGABMO C[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCN(C(=O)CCc2cccnc2)CC3)C1 ZINC000585104081 570929930 /nfs/dbraw/zinc/92/99/30/570929930.db2.gz LIWQEBIXLADKBM-PZJWPPBQSA-N 1 1 385.552 3.144 40 0 GGABMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585104044 570930138 /nfs/dbraw/zinc/93/01/38/570930138.db2.gz IGLVYDQRMDYHME-HTAPYJJXSA-N 1 1 383.492 3.104 40 0 GGABMO COc1cccc2cc(C(=O)N3CCC[C@]4(CC[N@H+]4C[C@H]4CCCO4)C3)oc21 ZINC000585102342 570930475 /nfs/dbraw/zinc/93/04/75/570930475.db2.gz XJPRYEQKSNXINP-VGSWGCGISA-N 1 1 384.476 3.301 40 0 GGABMO COc1ccc(OC)c(C(=O)N2CCC[C@@]3(CC[N@@H+]3Cc3c(C)noc3C)C2)c1 ZINC000585102371 570930590 /nfs/dbraw/zinc/93/05/90/570930590.db2.gz YLEUEBNMHSOUBE-JOCHJYFZSA-N 1 1 399.491 3.189 40 0 GGABMO COc1ccc(OC)c(C(=O)N2CCC[C@@]3(CC[N@H+]3Cc3c(C)noc3C)C2)c1 ZINC000585102371 570930592 /nfs/dbraw/zinc/93/05/92/570930592.db2.gz YLEUEBNMHSOUBE-JOCHJYFZSA-N 1 1 399.491 3.189 40 0 GGABMO CC1CCC(C(=O)N2CC[C@]3(C2)C[N@@H+](C)C[C@H]3COCc2cccnc2)CC1 ZINC000585103287 570931733 /nfs/dbraw/zinc/93/17/33/570931733.db2.gz UDFNOJVNORYFNF-ZVEIZMFXSA-N 1 1 385.552 3.205 40 0 GGABMO COc1ccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(Cc4ccccc4)C3)C2)c(F)c1 ZINC000585104532 570933033 /nfs/dbraw/zinc/93/30/33/570933033.db2.gz PGSGJUBMLFPTPC-HSZRJFAPSA-N 1 1 398.478 3.085 40 0 GGABMO COc1ccc(C[N@H+]2CCOC[C@]3(CC(=O)N(Cc4ccccc4)C3)C2)c(F)c1 ZINC000585104532 570933037 /nfs/dbraw/zinc/93/30/37/570933037.db2.gz PGSGJUBMLFPTPC-HSZRJFAPSA-N 1 1 398.478 3.085 40 0 GGABMO COc1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)cc1 ZINC000585104505 570933067 /nfs/dbraw/zinc/93/30/67/570933067.db2.gz OOLNRJNBYRPECI-QFIPXVFZSA-N 1 1 384.451 3.090 40 0 GGABMO C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCN(C(=O)Cc2ccc(O)cc2)CC3)C1 ZINC000585105119 570934651 /nfs/dbraw/zinc/93/46/51/570934651.db2.gz YNDOAQGIWODPGE-WIYYLYMNSA-N 1 1 386.536 3.064 40 0 GGABMO Cc1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccc(C)o4)[C@H]3C2)n(C)n1 ZINC000585109837 570938428 /nfs/dbraw/zinc/93/84/28/570938428.db2.gz ZPOPHZOMYDDKMK-JAXLGGSGSA-N 1 1 390.487 3.330 40 0 GGABMO Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000585109820 570938499 /nfs/dbraw/zinc/93/84/99/570938499.db2.gz XJPWBAQRCRGRTO-JAXLGGSGSA-N 1 1 390.462 3.260 40 0 GGABMO O=S(=O)(c1cc(F)cc(F)c1)N1CC[C@@H]2[C@@H](C[N@H+]2CC2CCCCC2)C1 ZINC000585108003 570939502 /nfs/dbraw/zinc/93/95/02/570939502.db2.gz SXTPYADENXMVCK-HNAYVOBHSA-N 1 1 384.492 3.240 40 0 GGABMO Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](C[N@@H+]2C[C@@H](C)c2ccccc2)C1 ZINC000585108007 570939765 /nfs/dbraw/zinc/93/97/65/570939765.db2.gz UOUVFJZECRNRSD-HMXCVIKNSA-N 1 1 384.545 3.494 40 0 GGABMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC(=O)c3ccccc3F)cc2)C1 ZINC000047283485 570951120 /nfs/dbraw/zinc/95/11/20/570951120.db2.gz MBZFRVUGAQQXOO-INIZCTEOSA-N 1 1 383.467 3.426 40 0 GGABMO C[C@H](NCc1ccccc1C[NH+]1CCOCC1)c1nnc(-c2ccccc2)o1 ZINC000025697060 570951360 /nfs/dbraw/zinc/95/13/60/570951360.db2.gz FFZRVYORVYQARI-KRWDZBQOSA-N 1 1 378.476 3.420 40 0 GGABMO CC(=O)N1CCC(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@@H+]3C)CC1 ZINC000019016761 570954113 /nfs/dbraw/zinc/95/41/13/570954113.db2.gz DPJADCULJSGEFA-DNVJHFABSA-N 1 1 397.563 3.114 40 0 GGABMO O=C(C1CC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019014862 570954140 /nfs/dbraw/zinc/95/41/40/570954140.db2.gz HUPWNLLGTWCWLX-LJQANCHMSA-N 1 1 384.524 3.337 40 0 GGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cccc(Cl)c4)C3)ncc2C1 ZINC000019018396 570954907 /nfs/dbraw/zinc/95/49/07/570954907.db2.gz LLYFBCZNEDIFKC-KRWDZBQOSA-N 1 1 384.911 3.414 40 0 GGABMO COc1ccc(C(C)(C)C)cc1C[NH+]1CCN(c2ncc3c(n2)CCOC3)CC1 ZINC000019084433 570956568 /nfs/dbraw/zinc/95/65/68/570956568.db2.gz FIMJDZSQMRBSLE-UHFFFAOYSA-N 1 1 396.535 3.178 40 0 GGABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4cc5c(cc4C)OCO5)C3)cc(N)n2n1 ZINC000019125583 570957834 /nfs/dbraw/zinc/95/78/34/570957834.db2.gz DLHRCSRFJFHAIA-HNNXBMFYSA-N 1 1 379.464 3.037 40 0 GGABMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)c1 ZINC000019129212 570958031 /nfs/dbraw/zinc/95/80/31/570958031.db2.gz IVSCFHWNFKRHSE-OAHLLOKOSA-N 1 1 381.480 3.017 40 0 GGABMO Cc1ccc([C@H](C)C(=O)N2CCc3nc([C@H]4CCC[N@@H+](C)C4)ncc3C2)cc1 ZINC000019136153 570959036 /nfs/dbraw/zinc/95/90/36/570959036.db2.gz BXZHSGXQEOCDQC-HKUYNNGSSA-N 1 1 378.520 3.283 40 0 GGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+]3CCCOc3ccc(C)cc3)ncc2C1 ZINC000019211032 570960593 /nfs/dbraw/zinc/96/05/93/570960593.db2.gz QMTVRKWIGHEQSX-JOCHJYFZSA-N 1 1 394.519 3.296 40 0 GGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@H+]3CCCOc3ccc(C)cc3)ncc2C1 ZINC000019211032 570960596 /nfs/dbraw/zinc/96/05/96/570960596.db2.gz QMTVRKWIGHEQSX-JOCHJYFZSA-N 1 1 394.519 3.296 40 0 GGABMO CC(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](Cc2ccc(C)c(C)c2)C3)CC1 ZINC000019214016 570961277 /nfs/dbraw/zinc/96/12/77/570961277.db2.gz XMKMWDNSMAIPFX-UHFFFAOYSA-N 1 1 378.520 3.378 40 0 GGABMO CC(=O)N1CCC(c2ncc3c(n2)CC[N@H+](Cc2ccc(C)c(C)c2)C3)CC1 ZINC000019214016 570961281 /nfs/dbraw/zinc/96/12/81/570961281.db2.gz XMKMWDNSMAIPFX-UHFFFAOYSA-N 1 1 378.520 3.378 40 0 GGABMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)cc(OC)c1OC ZINC000019215976 570961839 /nfs/dbraw/zinc/96/18/39/570961839.db2.gz STCVPDGGMLQECK-IXFSTUDKSA-N 1 1 398.503 3.145 40 0 GGABMO Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[N@H+](C)C4)coc2c1 ZINC000019221612 570963241 /nfs/dbraw/zinc/96/32/41/570963241.db2.gz QKBOKYCEAHZSNG-HXUWFJFHSA-N 1 1 390.487 3.425 40 0 GGABMO COc1c(C)cccc1C[N@H+]1CC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1 ZINC000019235909 570965887 /nfs/dbraw/zinc/96/58/87/570965887.db2.gz PZNWIYFZWCLTBG-KRWDZBQOSA-N 1 1 376.460 3.138 40 0 GGABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCC[N@@H+](Cc4cccc(C)n4)[C@@H]32)cc1 ZINC000019236286 570966306 /nfs/dbraw/zinc/96/63/06/570966306.db2.gz MBLHTQGSTHVJQB-DNVJHFABSA-N 1 1 379.504 3.378 40 0 GGABMO CC(=O)N1Cc2ccccc2O[C@H]([C@H]2CCC[N@@H+](Cc3ccncc3C)C2)C1 ZINC000019239511 570968812 /nfs/dbraw/zinc/96/88/12/570968812.db2.gz JSTZTLMGBSLWOX-REWPJTCUSA-N 1 1 379.504 3.412 40 0 GGABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[nH]c(=O)c2C3)cc1OC(C)C ZINC000019286347 570969610 /nfs/dbraw/zinc/96/96/10/570969610.db2.gz GBYPYUZLNWHBEN-SJORKVTESA-N 1 1 383.492 3.006 40 0 GGABMO Cc1nccc(-c2cccc(-c3noc(C[N@@H+]4CCCC[C@H]4CCO)n3)c2)n1 ZINC000019287600 570970060 /nfs/dbraw/zinc/97/00/60/570970060.db2.gz KFKDPCLHFUXQHG-SFHVURJKSA-N 1 1 379.464 3.239 40 0 GGABMO Cc1nccc(-c2cccc(-c3noc(C[N@H+]4CCCC[C@H]4CCO)n3)c2)n1 ZINC000019287600 570970063 /nfs/dbraw/zinc/97/00/63/570970063.db2.gz KFKDPCLHFUXQHG-SFHVURJKSA-N 1 1 379.464 3.239 40 0 GGABMO Cc1[nH+]ccn1[C@H](C)CC(=O)NCCn1ncc(-c2ccncc2)c1C1CC1 ZINC000019287644 570970186 /nfs/dbraw/zinc/97/01/86/570970186.db2.gz JMPWBVUTOVJWOD-OAHLLOKOSA-N 1 1 378.480 3.095 40 0 GGABMO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@]3(C1)OCCc1cnc(C)nc13)CO2 ZINC000019287389 570970196 /nfs/dbraw/zinc/97/01/96/570970196.db2.gz OQYCFWDJHARUFA-QHCPKHFHSA-N 1 1 393.487 3.133 40 0 GGABMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@@]3(C1)OCCc1cnc(C)nc13)CO2 ZINC000019287389 570970197 /nfs/dbraw/zinc/97/01/97/570970197.db2.gz OQYCFWDJHARUFA-QHCPKHFHSA-N 1 1 393.487 3.133 40 0 GGABMO Cn1ccnc1[C@H](O)c1ccccc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019291335 570972000 /nfs/dbraw/zinc/97/20/00/570972000.db2.gz ULGSQBSXCNVBLL-OAQYLSRUSA-N 1 1 396.922 3.477 40 0 GGABMO Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)c2ccccc21 ZINC000019290439 570972010 /nfs/dbraw/zinc/97/20/10/570972010.db2.gz LKHAKOVBVHUAQN-HTAPYJJXSA-N 1 1 389.503 3.067 40 0 GGABMO O=c1cc(-c2ccncc2)nc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)[nH]1 ZINC000019292733 570972826 /nfs/dbraw/zinc/97/28/26/570972826.db2.gz LOZXJQUIUIHNAY-MRXNPFEDSA-N 1 1 382.414 3.490 40 0 GGABMO O=c1cc(-c2ccncc2)nc([C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)[nH]1 ZINC000019292733 570972828 /nfs/dbraw/zinc/97/28/28/570972828.db2.gz LOZXJQUIUIHNAY-MRXNPFEDSA-N 1 1 382.414 3.490 40 0 GGABMO Fc1ccc(Oc2nc(N3CCCC3)nc3c2C[N@@H+](C[C@H]2CCOC2)CC3)cc1 ZINC000019336052 570976044 /nfs/dbraw/zinc/97/60/44/570976044.db2.gz PNMIREYQFOMUKG-MRXNPFEDSA-N 1 1 398.482 3.403 40 0 GGABMO FC(F)(F)c1[nH]c2ncccc2c1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000019345121 570977552 /nfs/dbraw/zinc/97/75/52/570977552.db2.gz BCLXCQIYBTXANW-CQSZACIVSA-N 1 1 382.430 3.126 40 0 GGABMO O=C(C[NH+]1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1)NC1CCCCC1 ZINC000019346015 570978070 /nfs/dbraw/zinc/97/80/70/570978070.db2.gz AYCZVWRMMDWZJX-UHFFFAOYSA-N 1 1 391.899 3.334 40 0 GGABMO c1coc(-c2nc(N3CCOCC3)nc3c2CC[N@@H+](Cc2ccccc2)C3)c1 ZINC000019372396 570981165 /nfs/dbraw/zinc/98/11/65/570981165.db2.gz LBPYIWFWKPSKPO-UHFFFAOYSA-N 1 1 376.460 3.132 40 0 GGABMO c1coc(-c2nc(N3CCOCC3)nc3c2CC[N@H+](Cc2ccccc2)C3)c1 ZINC000019372396 570981166 /nfs/dbraw/zinc/98/11/66/570981166.db2.gz LBPYIWFWKPSKPO-UHFFFAOYSA-N 1 1 376.460 3.132 40 0 GGABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](CC2=CCCOC2)C1)c1ccccn1 ZINC000019400310 570982165 /nfs/dbraw/zinc/98/21/65/570982165.db2.gz ANOGUDGDFXJISU-IEBWSBKVSA-N 1 1 398.532 3.068 40 0 GGABMO COc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2cccs2)c(OC)c1 ZINC000252516588 570983612 /nfs/dbraw/zinc/98/36/12/570983612.db2.gz USEKERMIMZQSRT-UKRRQHHQSA-N 1 1 375.494 3.232 40 0 GGABMO CC(C)NC(=O)[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019449985 570985087 /nfs/dbraw/zinc/98/50/87/570985087.db2.gz IGRHERBFYDCBAC-WOJBJXKFSA-N 1 1 397.567 3.117 40 0 GGABMO COc1ccc(C[N@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)cc1OC(C)C ZINC000019453749 570986167 /nfs/dbraw/zinc/98/61/67/570986167.db2.gz RPPANIAGWSWRTO-UHFFFAOYSA-N 1 1 385.508 3.290 40 0 GGABMO CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](Cc1cnc(C(C)C)nc1)C2 ZINC000019454098 570986777 /nfs/dbraw/zinc/98/67/77/570986777.db2.gz BINATKFYJBESMW-FQEVSTJZSA-N 1 1 394.523 3.022 40 0 GGABMO CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](Cc1cnc(C(C)C)nc1)C2 ZINC000019454098 570986779 /nfs/dbraw/zinc/98/67/79/570986779.db2.gz BINATKFYJBESMW-FQEVSTJZSA-N 1 1 394.523 3.022 40 0 GGABMO COc1ccc(C[N@@H+](Cc2coc3ccccc3c2=O)C[C@@H](C)O)cc1OC ZINC000019456017 570987077 /nfs/dbraw/zinc/98/70/77/570987077.db2.gz YRGPXFAQABCLIS-OAHLLOKOSA-N 1 1 383.444 3.193 40 0 GGABMO COc1ccc(C[N@H+](Cc2coc3ccccc3c2=O)C[C@@H](C)O)cc1OC ZINC000019456017 570987083 /nfs/dbraw/zinc/98/70/83/570987083.db2.gz YRGPXFAQABCLIS-OAHLLOKOSA-N 1 1 383.444 3.193 40 0 GGABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN(C(=O)C5CC5)C4)[nH]c(=O)c3C2)CC1 ZINC000019495958 570989499 /nfs/dbraw/zinc/98/94/99/570989499.db2.gz SDPXNBQRUMAAJY-NXYGQSRBSA-N 1 1 398.551 3.235 40 0 GGABMO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2c[nH]c4ccccc24)C3)C1 ZINC000019496582 570989590 /nfs/dbraw/zinc/98/95/90/570989590.db2.gz ZRTYIJZJHKVNFW-HNNXBMFYSA-N 1 1 377.492 3.046 40 0 GGABMO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2c[nH]c4ccccc24)C3)C1 ZINC000019496582 570989591 /nfs/dbraw/zinc/98/95/91/570989591.db2.gz ZRTYIJZJHKVNFW-HNNXBMFYSA-N 1 1 377.492 3.046 40 0 GGABMO CC1CCN(C(=O)C[N@@H+]2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)CC1 ZINC000019496718 570989939 /nfs/dbraw/zinc/98/99/39/570989939.db2.gz FQJUFWXVVHODOX-INIZCTEOSA-N 1 1 391.899 3.143 40 0 GGABMO CC1CCN(C(=O)C[N@H+]2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)CC1 ZINC000019496718 570989942 /nfs/dbraw/zinc/98/99/42/570989942.db2.gz FQJUFWXVVHODOX-INIZCTEOSA-N 1 1 391.899 3.143 40 0 GGABMO CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019499403 570991683 /nfs/dbraw/zinc/99/16/83/570991683.db2.gz UFQHEYFSDRQJJR-MOPGFXCFSA-N 1 1 398.482 3.125 40 0 GGABMO CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019498844 570991702 /nfs/dbraw/zinc/99/17/02/570991702.db2.gz FYBQLHJBNGIYEG-KRWDZBQOSA-N 1 1 386.521 3.266 40 0 GGABMO CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019498844 570991708 /nfs/dbraw/zinc/99/17/08/570991708.db2.gz FYBQLHJBNGIYEG-KRWDZBQOSA-N 1 1 386.521 3.266 40 0 GGABMO CCC[N@H+]1C[C@H](NC(=O)Cc2cccc(OC)c2)[C@@H](c2ccc(OC)cc2)C1 ZINC000019503499 570993351 /nfs/dbraw/zinc/99/33/51/570993351.db2.gz FSRBNUGRDZUIPT-YADHBBJMSA-N 1 1 382.504 3.241 40 0 GGABMO CCOc1ccccc1N1CC[NH+](C[C@H](O)c2ccc3c(c2)OCCCO3)CC1 ZINC000019520217 570993925 /nfs/dbraw/zinc/99/39/25/570993925.db2.gz IQVROLPKMWZDBD-FQEVSTJZSA-N 1 1 398.503 3.102 40 0 GGABMO CCOc1ccccc1C[N@H+]1CCC[C@@H](Cn2nnc(-c3ccncc3)n2)C1 ZINC000019520183 570994175 /nfs/dbraw/zinc/99/41/75/570994175.db2.gz HUCNEBXUOZNNAP-QGZVFWFLSA-N 1 1 378.480 3.046 40 0 GGABMO CCc1nc(N2CCN(C(=O)c3cc4cc(OC)ccc4o3)CC2)cc(C)[nH+]1 ZINC000019523142 570995665 /nfs/dbraw/zinc/99/56/65/570995665.db2.gz WRMWCZUENIDYAT-UHFFFAOYSA-N 1 1 380.448 3.065 40 0 GGABMO CCc1[nH+]ccn1CC(=O)N1CCC(c2nc(C)c(-c3ccncn3)s2)CC1 ZINC000019523489 570995971 /nfs/dbraw/zinc/99/59/71/570995971.db2.gz IBCQQMMLQQSFTJ-UHFFFAOYSA-N 1 1 396.520 3.074 40 0 GGABMO CCn1cc(CN2CCC3(CC2)Nc2ccccc2C2=[NH+]CCCN23)c(C)n1 ZINC000019524527 570996260 /nfs/dbraw/zinc/99/62/60/570996260.db2.gz QCMAPYMZCIRTPP-UHFFFAOYSA-N 1 1 378.524 3.082 40 0 GGABMO CCN(CC)c1ncc(CN2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)s1 ZINC000019526515 570997681 /nfs/dbraw/zinc/99/76/81/570997681.db2.gz FCJVFUFYBMNJOS-QGZVFWFLSA-N 1 1 386.565 3.425 40 0 GGABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccnn1[C@@H]1CCCCO1)Cc1ccccn1 ZINC000019527172 570997710 /nfs/dbraw/zinc/99/77/10/570997710.db2.gz OZTWTTDLLHEPNA-UNMCSNQZSA-N 1 1 383.540 3.464 40 0 GGABMO CCOc1ncc(C2(O)CC[NH+](Cc3ccc(Cl)cc3)CC2)c(OCC)n1 ZINC000019531727 570998739 /nfs/dbraw/zinc/99/87/39/570998739.db2.gz XDRMBNLYFOGEGE-UHFFFAOYSA-N 1 1 391.899 3.411 40 0 GGABMO CCOc1ncc([C@]2(O)CC[C@H]3C[N@@H+](C[C@@H]4CC=CCC4)C[C@H]32)c(OCC)n1 ZINC000019531773 570999194 /nfs/dbraw/zinc/99/91/94/570999194.db2.gz SRSHLRCBWPPJSN-ZRAXVTTISA-N 1 1 387.524 3.160 40 0 GGABMO CCOc1ccc(C[N@H+]2CC[C@](O)(c3ccccc3)C2)cc1Cn1ccnc1 ZINC000019533671 570999518 /nfs/dbraw/zinc/99/95/18/570999518.db2.gz PLGGUOCZRLHCDZ-HSZRJFAPSA-N 1 1 377.488 3.424 40 0 GGABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc1OC ZINC000019533794 570999556 /nfs/dbraw/zinc/99/95/56/570999556.db2.gz SCHKRMQKCZLIMZ-QGZVFWFLSA-N 1 1 395.507 3.407 40 0 GGABMO COc1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc(OC)c1OC ZINC000019549664 571000189 /nfs/dbraw/zinc/00/01/89/571000189.db2.gz SPYCHCAOZYOOIB-LIMIJEPZSA-N 1 1 398.503 3.227 40 0 GGABMO COc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)cc2c1OCO2 ZINC000019549971 571000271 /nfs/dbraw/zinc/00/02/71/571000271.db2.gz SMCQXNLJHKTRNI-PMACEKPBSA-N 1 1 380.488 3.315 40 0 GGABMO COc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2Cc2ccccc2)cc(OC)c1O ZINC000019549454 571000284 /nfs/dbraw/zinc/00/02/84/571000284.db2.gz MSQWVBJQJIFKTP-VQTJNVASSA-N 1 1 382.504 3.301 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(F)c1 ZINC000019551761 571001488 /nfs/dbraw/zinc/00/14/88/571001488.db2.gz ZHSDTMYDZGBSKJ-RRQGHBQHSA-N 1 1 395.429 3.328 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(F)c1 ZINC000019551759 571001609 /nfs/dbraw/zinc/00/16/09/571001609.db2.gz ZHSDTMYDZGBSKJ-XOKHGSTOSA-N 1 1 395.429 3.328 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2C(=O)N3)c(OC)c1OC ZINC000019552751 571001912 /nfs/dbraw/zinc/00/19/12/571001912.db2.gz ICASIBHAISCGRN-HSZRJFAPSA-N 1 1 396.487 3.033 40 0 GGABMO Cc1c(C[N@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cnn1C ZINC000019553666 571001967 /nfs/dbraw/zinc/00/19/67/571001967.db2.gz SVUKUNRABGEMLK-MRXNPFEDSA-N 1 1 385.512 3.159 40 0 GGABMO COc1ccc(OC)c([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)C2CC2)c1 ZINC000019552614 571002110 /nfs/dbraw/zinc/00/21/10/571002110.db2.gz IEDITRMVXZINRA-LEWJYISDSA-N 1 1 380.488 3.198 40 0 GGABMO Cc1c(C[N@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cnn1C ZINC000019553669 571002493 /nfs/dbraw/zinc/00/24/93/571002493.db2.gz SVUKUNRABGEMLK-INIZCTEOSA-N 1 1 385.512 3.159 40 0 GGABMO Cc1nn(CC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@@H+]3C)c(C)c1C ZINC000019556526 571003541 /nfs/dbraw/zinc/00/35/41/571003541.db2.gz RLRFIARPVZWPOB-KCZVDYSFSA-N 1 1 384.499 3.036 40 0 GGABMO COc1ccc2nc(C[N@H+]3CC[C@H](c4nnc(-c5cnccn5)o4)C3)ccc2c1 ZINC000019563680 571006331 /nfs/dbraw/zinc/00/63/31/571006331.db2.gz VHMJCHROPRVZIG-HNNXBMFYSA-N 1 1 388.431 3.073 40 0 GGABMO COc1cccc(C[N@@H+](Cc2ccnc(N3CCCC3)n2)C[C@H]2CCCO2)c1 ZINC000019564657 571006979 /nfs/dbraw/zinc/00/69/79/571006979.db2.gz HFWXEJBBBJHLOK-OAQYLSRUSA-N 1 1 382.508 3.267 40 0 GGABMO COc1cccc(C[N@H+](Cc2ccnc(N3CCCC3)n2)C[C@H]2CCCO2)c1 ZINC000019564657 571006983 /nfs/dbraw/zinc/00/69/83/571006983.db2.gz HFWXEJBBBJHLOK-OAQYLSRUSA-N 1 1 382.508 3.267 40 0 GGABMO Cc1c2ccccc2oc1C(=O)N1CC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019566021 571007506 /nfs/dbraw/zinc/00/75/06/571007506.db2.gz SDCCCXAZRDZVRA-HNNXBMFYSA-N 1 1 376.460 3.149 40 0 GGABMO Cc1c2ccccc2oc1C[N@H+]1C[C@@H](c2cccnc2)[C@]2(C1)COCCC(=O)N2 ZINC000019566418 571007910 /nfs/dbraw/zinc/00/79/10/571007910.db2.gz ANQWVSLFIHMUIG-CVDCTZTESA-N 1 1 391.471 3.011 40 0 GGABMO Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCC[N@@H+]4C)ncc3C2)c1 ZINC000019569743 571009625 /nfs/dbraw/zinc/00/96/25/571009625.db2.gz VFGJUVDMAFNVAP-LAUBAEHRSA-N 1 1 394.519 3.212 40 0 GGABMO Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCC[N@H+]4C)ncc3C2)c1 ZINC000019569743 571009627 /nfs/dbraw/zinc/00/96/27/571009627.db2.gz VFGJUVDMAFNVAP-LAUBAEHRSA-N 1 1 394.519 3.212 40 0 GGABMO Cc1cc(C)n(CCC(=O)N2CC[N@@H+](Cc3ccccc3F)C[C@@H]2C(C)C)n1 ZINC000019573887 571011050 /nfs/dbraw/zinc/01/10/50/571011050.db2.gz COZSNZZZNHQRAV-OAQYLSRUSA-N 1 1 386.515 3.398 40 0 GGABMO Cc1cc(C)n(CCC(=O)N2CC[N@H+](Cc3ccccc3F)C[C@@H]2C(C)C)n1 ZINC000019573887 571011057 /nfs/dbraw/zinc/01/10/57/571011057.db2.gz COZSNZZZNHQRAV-OAQYLSRUSA-N 1 1 386.515 3.398 40 0 GGABMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000012761234 571011584 /nfs/dbraw/zinc/01/15/84/571011584.db2.gz UDAZDFGNIYHMKH-SJLPKXTDSA-N 1 1 383.467 3.354 40 0 GGABMO Cc1c(C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c2ccccc2n1C ZINC000019581730 571013440 /nfs/dbraw/zinc/01/34/40/571013440.db2.gz RCDNGXLZIUWIEK-FQEVSTJZSA-N 1 1 389.503 3.242 40 0 GGABMO Cc1oc2c(c1C(=O)N1CCc3nc([C@@H]4CCC[N@H+]4C)ncc3C1)CCCC2 ZINC000019581284 571013627 /nfs/dbraw/zinc/01/36/27/571013627.db2.gz YFDRQGFZIXNQKH-SFHVURJKSA-N 1 1 380.492 3.222 40 0 GGABMO Cc1oc2c(c1C(=O)N1CCc3nc([C@@H]4CCC[N@@H+]4C)ncc3C1)CCCC2 ZINC000019581284 571013631 /nfs/dbraw/zinc/01/36/31/571013631.db2.gz YFDRQGFZIXNQKH-SFHVURJKSA-N 1 1 380.492 3.222 40 0 GGABMO COc1ccc2c(c1)C[C@@H](C1CCOCC1)N(C(=O)c1ccc(C[NH+](C)C)o1)C2 ZINC000019583598 571014316 /nfs/dbraw/zinc/01/43/16/571014316.db2.gz JVALJXFBFKZGIJ-NRFANRHFSA-N 1 1 398.503 3.344 40 0 GGABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2S(=O)(=O)c1cccnc1 ZINC000019589120 571016642 /nfs/dbraw/zinc/01/66/42/571016642.db2.gz DQHWZAKLLKANEV-HBMCJLEFSA-N 1 1 385.533 3.113 40 0 GGABMO CN1CC[N@@H+](Cc2ccccn2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019589461 571016929 /nfs/dbraw/zinc/01/69/29/571016929.db2.gz BJYKGXPHADXCLG-JOCHJYFZSA-N 1 1 386.499 3.277 40 0 GGABMO CN1CC[N@@H+](Cc2cccnc2)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O ZINC000019589573 571016960 /nfs/dbraw/zinc/01/69/60/571016960.db2.gz JQNXKVQVEZTRID-HSZRJFAPSA-N 1 1 386.499 3.277 40 0 GGABMO CN1CC[N@@H+](Cc2ccncc2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019589463 571017113 /nfs/dbraw/zinc/01/71/13/571017113.db2.gz AATRAPUVBVFYTF-HSZRJFAPSA-N 1 1 386.499 3.277 40 0 GGABMO C[N@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCn1ccccc1=O ZINC000019590183 571017456 /nfs/dbraw/zinc/01/74/56/571017456.db2.gz AZLJAKXJDYXSLP-PQNGQFLHSA-N 1 1 393.531 3.107 40 0 GGABMO CN1CC[N@@H+](Cc2ccccn2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019589558 571017488 /nfs/dbraw/zinc/01/74/88/571017488.db2.gz JNQOJNPYQXZJPK-QFIPXVFZSA-N 1 1 386.499 3.277 40 0 GGABMO C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)CCc3ccc(Cl)cc3)ncc2C1 ZINC000019590504 571018002 /nfs/dbraw/zinc/01/80/02/571018002.db2.gz DXDWFNPUGHGLHQ-IBGZPJMESA-N 1 1 384.911 3.414 40 0 GGABMO C[N@H+]1CCc2nc([C@@H]3CCN(C(=O)c4csc5c4CCCC5)C3)ncc2C1 ZINC000019590646 571018028 /nfs/dbraw/zinc/01/80/28/571018028.db2.gz ILPPVHZOTQHZNV-CQSZACIVSA-N 1 1 382.533 3.035 40 0 GGABMO CNc1ncccc1C[N@@H+]1CCCC[C@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019592050 571019295 /nfs/dbraw/zinc/01/92/95/571019295.db2.gz HWHMHNNJMAPIPX-SFHVURJKSA-N 1 1 376.464 3.408 40 0 GGABMO CNc1ncccc1C[N@H+]1CCCC[C@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019592050 571019296 /nfs/dbraw/zinc/01/92/96/571019296.db2.gz HWHMHNNJMAPIPX-SFHVURJKSA-N 1 1 376.464 3.408 40 0 GGABMO COCCOc1cccc(CN2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)c1 ZINC000019593769 571019767 /nfs/dbraw/zinc/01/97/67/571019767.db2.gz JGXQDAHIFILNMN-HXUWFJFHSA-N 1 1 382.504 3.148 40 0 GGABMO Cc1[nH+]ccn1CCC1CCN(C(=O)Cn2c(=O)cc(C)c3ccccc32)CC1 ZINC000019657062 571023763 /nfs/dbraw/zinc/02/37/63/571023763.db2.gz BEYYEOCCEWBCJZ-UHFFFAOYSA-N 1 1 392.503 3.144 40 0 GGABMO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@H]3Cn3cccn3)n2)cc1 ZINC000019656759 571023946 /nfs/dbraw/zinc/02/39/46/571023946.db2.gz JPUBDOUFEDVAIG-KRWDZBQOSA-N 1 1 381.505 3.418 40 0 GGABMO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@H]3Cn3cccn3)n2)cc1 ZINC000019656759 571023951 /nfs/dbraw/zinc/02/39/51/571023951.db2.gz JPUBDOUFEDVAIG-KRWDZBQOSA-N 1 1 381.505 3.418 40 0 GGABMO Cc1cccc(C2(C(=O)N3CCC[N@H+](Cc4ccccn4)CC3)CCOCC2)c1 ZINC000019662493 571026188 /nfs/dbraw/zinc/02/61/88/571026188.db2.gz XFZQBOQXTAMBMF-UHFFFAOYSA-N 1 1 393.531 3.173 40 0 GGABMO Cc1cccc(C2(C(=O)N3CCC[N@@H+](Cc4ccccn4)CC3)CCOCC2)c1 ZINC000019662493 571026192 /nfs/dbraw/zinc/02/61/92/571026192.db2.gz XFZQBOQXTAMBMF-UHFFFAOYSA-N 1 1 393.531 3.173 40 0 GGABMO Cc1ccccc1OC1CC[NH+](CC(=O)NCc2nc3ccccc3n2C)CC1 ZINC000019664428 571026893 /nfs/dbraw/zinc/02/68/93/571026893.db2.gz XKLCNWRDCDJJKZ-UHFFFAOYSA-N 1 1 392.503 3.041 40 0 GGABMO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCCC[N@H+]2CC2CC2)n1 ZINC000019687703 571028544 /nfs/dbraw/zinc/02/85/44/571028544.db2.gz ZCHHLDLFBRPISB-IBGZPJMESA-N 1 1 379.508 3.246 40 0 GGABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2ccc(Cc3cccc(F)c3)cn2)CC1 ZINC000019690511 571029058 /nfs/dbraw/zinc/02/90/58/571029058.db2.gz OXCJRRSIZYDTOS-KRWDZBQOSA-N 1 1 399.510 3.142 40 0 GGABMO CN(C)c1ncc(-c2ccccc2)c([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000019693972 571029754 /nfs/dbraw/zinc/02/97/54/571029754.db2.gz GEQPNCXNYJNRFU-IBGZPJMESA-N 1 1 376.508 3.323 40 0 GGABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccccc2)C1 ZINC000019694703 571030034 /nfs/dbraw/zinc/03/00/34/571030034.db2.gz FUAIXCCAYRWWJG-LJQANCHMSA-N 1 1 395.551 3.257 40 0 GGABMO CC(=O)N1CCC[C@@H]1c1cc(N2CCN(CCc3ccccc3)CC2)cc(C)[nH+]1 ZINC000019698265 571030578 /nfs/dbraw/zinc/03/05/78/571030578.db2.gz KGPKQACOHFFDBR-XMMPIXPASA-N 1 1 392.547 3.438 40 0 GGABMO COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@H]1c1nnc2n1CCNC2 ZINC000019705510 571031496 /nfs/dbraw/zinc/03/14/96/571031496.db2.gz WVDWEYUAWWLTFP-HXUWFJFHSA-N 1 1 389.503 3.394 40 0 GGABMO COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H]1c1nnc2n1CCNC2 ZINC000019705510 571031498 /nfs/dbraw/zinc/03/14/98/571031498.db2.gz WVDWEYUAWWLTFP-HXUWFJFHSA-N 1 1 389.503 3.394 40 0 GGABMO Cn1nc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)cc1C[NH+](C)C ZINC000019709193 571033496 /nfs/dbraw/zinc/03/34/96/571033496.db2.gz VTORESRRLFUTNT-HXUWFJFHSA-N 1 1 383.471 3.470 40 0 GGABMO COc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(C[NH+](C)C)n(C)n2)cc1 ZINC000019709177 571033559 /nfs/dbraw/zinc/03/35/59/571033559.db2.gz YJNUYAOHEVRBLH-NRFANRHFSA-N 1 1 384.524 3.177 40 0 GGABMO CCNc1nc(C)c(C(=O)N2CCCC[C@H]2c2cc(C[NH+](C)C)n(C)n2)s1 ZINC000019709117 571033688 /nfs/dbraw/zinc/03/36/88/571033688.db2.gz LMSLYXWMLOLJIM-INIZCTEOSA-N 1 1 390.557 3.046 40 0 GGABMO Cc1nc2ccc(C(=O)N3CCC[C@@H](c4cc(C[NH+](C)C)n(C)n4)C3)cc2s1 ZINC000019709007 571033759 /nfs/dbraw/zinc/03/37/59/571033759.db2.gz DQWDHMJRHFUOLK-MRXNPFEDSA-N 1 1 397.548 3.420 40 0 GGABMO Cn1nc([C@@H]2CCCN(C(=O)C(C)(C)c3cccc(F)c3)C2)cc1C[NH+](C)C ZINC000019709033 571033768 /nfs/dbraw/zinc/03/37/68/571033768.db2.gz JXLSODULISUHSC-MRXNPFEDSA-N 1 1 386.515 3.305 40 0 GGABMO COc1cccc2cc(C(=O)N3CCC[N@H+](Cc4ccccn4)CC3)c(C)nc21 ZINC000019714396 571036033 /nfs/dbraw/zinc/03/60/33/571036033.db2.gz FFQGJDAPJVQBDI-UHFFFAOYSA-N 1 1 390.487 3.295 40 0 GGABMO COc1cccc2cc(C(=O)N3CCC[N@@H+](Cc4ccccn4)CC3)c(C)nc21 ZINC000019714396 571036037 /nfs/dbraw/zinc/03/60/37/571036037.db2.gz FFQGJDAPJVQBDI-UHFFFAOYSA-N 1 1 390.487 3.295 40 0 GGABMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC(=O)Nc2cnn(C)c2)C1 ZINC000019715507 571037306 /nfs/dbraw/zinc/03/73/06/571037306.db2.gz CXXMMSJPMONYMY-MRXNPFEDSA-N 1 1 380.496 3.169 40 0 GGABMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC(=O)Nc2cnn(C)c2)C1 ZINC000019715507 571037312 /nfs/dbraw/zinc/03/73/12/571037312.db2.gz CXXMMSJPMONYMY-MRXNPFEDSA-N 1 1 380.496 3.169 40 0 GGABMO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000095532910 571093843 /nfs/dbraw/zinc/09/38/43/571093843.db2.gz QMLWWGIZZNRUFZ-AZKZNFPZSA-N 1 1 386.580 3.397 40 0 GGABMO CC(C)n1c2cc(C(=O)NCCC[NH+]3CCOCC3)n(C)c2c2ccccc21 ZINC000096037357 571096840 /nfs/dbraw/zinc/09/68/40/571096840.db2.gz LETDXLWQHLNDIN-UHFFFAOYSA-N 1 1 382.508 3.166 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2cccnc2)C3)cc1 ZINC000096047123 571097173 /nfs/dbraw/zinc/09/71/73/571097173.db2.gz ATFGHIWOOIWINY-HSZRJFAPSA-N 1 1 379.504 3.147 40 0 GGABMO COc1ccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccncc4)CO3)CC2)cc1 ZINC000096048084 571097290 /nfs/dbraw/zinc/09/72/90/571097290.db2.gz OCXDMJWKECLHSG-OAQYLSRUSA-N 1 1 381.520 3.346 40 0 GGABMO COc1ccc(C[NH+]2CCC3(C[C@H](N(C)Cc4ccncc4)CO3)CC2)cc1 ZINC000096048085 571097301 /nfs/dbraw/zinc/09/73/01/571097301.db2.gz OCXDMJWKECLHSG-NRFANRHFSA-N 1 1 381.520 3.346 40 0 GGABMO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@@H+](Cc1ccc(C)o1)CCC2 ZINC000096056043 571098016 /nfs/dbraw/zinc/09/80/16/571098016.db2.gz NEVDMGFACRCLHJ-AVRDEDQJSA-N 1 1 383.492 3.265 40 0 GGABMO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@@H+](Cc1ccsc1)CCC2 ZINC000096056040 571098127 /nfs/dbraw/zinc/09/81/27/571098127.db2.gz CRWZLBKLDHUPAG-RXVVDRJESA-N 1 1 385.533 3.425 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)cc1 ZINC000096056426 571098450 /nfs/dbraw/zinc/09/84/50/571098450.db2.gz BYFXHSCOYPAHCK-YPAWHYETSA-N 1 1 375.509 3.260 40 0 GGABMO COC(=O)CCC(=O)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096071315 571098455 /nfs/dbraw/zinc/09/84/55/571098455.db2.gz IWVZJHZMFFHJNR-HXUWFJFHSA-N 1 1 378.900 3.250 40 0 GGABMO Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](C2CCN(C)CC2)C1 ZINC000020503222 575369672 /nfs/dbraw/zinc/36/96/72/575369672.db2.gz KMJGMLXBMTZOAS-RBUKOAKNSA-N 1 1 377.532 3.337 40 0 biogenic,in-vitro GGABMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@@H]32)C1 ZINC000004043952 1398377946 /nfs/dbraw/zinc/37/79/46/1398377946.db2.gz COBANFXUQLODDA-NOEHVLKNSA-N 1 1 387.520 3.496 40 0 biogenic GGABMO CC(=O)NCCn1nc([C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c2cccnc21 ZINC000012219527 1399033933 /nfs/dbraw/zinc/03/39/33/1399033933.db2.gz ITDJZSPJKAAPCZ-SFHVURJKSA-N 1 1 395.482 3.086 40 0 GGABMO CC(=O)NCCn1nc([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c2cccnc21 ZINC000012219526 1399034185 /nfs/dbraw/zinc/03/41/85/1399034185.db2.gz ITDJZSPJKAAPCZ-GOSISDBHSA-N 1 1 395.482 3.086 40 0 GGABMO CC[C@@]12CCC[N@H+]3CC[C@@]4(c5ccccc5N(C(C)=O)[C@H]4[C@@H](C(=O)OC)C1)[C@@H]32 ZINC000012871456 1399063686 /nfs/dbraw/zinc/06/36/86/1399063686.db2.gz DHHMVJWGDXKKSV-HPLXBGGASA-N 1 1 382.504 3.117 40 0 biogenic GGABMO CCOc1cc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)ccc1OCC(N)=O ZINC000015836985 1399197050 /nfs/dbraw/zinc/19/70/50/1399197050.db2.gz LKLPEOFUTHCLNO-IBGZPJMESA-N 1 1 384.476 3.295 40 0 GGABMO COc1ccc(OC)c([C@H](O)C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000019551152 1399331898 /nfs/dbraw/zinc/33/18/98/1399331898.db2.gz KDLZQJVMWAZXRU-FOIQADDNSA-N 1 1 381.476 3.493 40 0 GGABMO COc1ccc(OC)c([C@@H](O)C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000019551150 1399331938 /nfs/dbraw/zinc/33/19/38/1399331938.db2.gz KDLZQJVMWAZXRU-QRWLVFNGSA-N 1 1 381.476 3.493 40 0 GGABMO O=C(NCc1ccccc1)[C@@]1(Cc2ccccn2)C[N@H+](C2CCCCC2)CCO1 ZINC000019700907 1399334915 /nfs/dbraw/zinc/33/49/15/1399334915.db2.gz QWIHXERJEPBCMH-XMMPIXPASA-N 1 1 393.531 3.344 40 0 GGABMO c1cc(OC2CCCC2)ccc1CN1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1 ZINC000019706338 1399335512 /nfs/dbraw/zinc/33/55/12/1399335512.db2.gz XKDGJFSUGYXXSZ-FQEVSTJZSA-N 1 1 381.524 3.082 40 0 GGABMO COc1cc2c(cc1C[N@H+]1CC[C@H]3[C@H]1CCCCCN3C(C)=O)OCCCO2 ZINC000019712060 1399336141 /nfs/dbraw/zinc/33/61/41/1399336141.db2.gz ZUEIMNBVDNFRKV-MOPGFXCFSA-N 1 1 388.508 3.222 40 0 GGABMO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@H+]2Cc1ccc2c(c1)OCCO2 ZINC000019712629 1399336200 /nfs/dbraw/zinc/33/62/00/1399336200.db2.gz BYFQWSZZSPDCOE-ROKPMTFOSA-N 1 1 392.499 3.485 40 0 GGABMO Cn1nc(C2CCN(C(=O)c3cccc4ncccc43)CC2)cc1C[NH+](C)C ZINC000019710179 1399336266 /nfs/dbraw/zinc/33/62/66/1399336266.db2.gz LJXRRWZLHNMTGH-UHFFFAOYSA-N 1 1 377.492 3.050 40 0 GGABMO CC(C)c1nc2cc(C(=O)N3CCC[C@@H]3c3cc(C[NH+](C)C)n(C)n3)ccc2[nH]1 ZINC000019709063 1399336330 /nfs/dbraw/zinc/33/63/30/1399336330.db2.gz FHCNKVRXUYJBJV-HXUWFJFHSA-N 1 1 394.523 3.459 40 0 GGABMO CN(C)c1ccc2cc(C(=O)N3CCC[C@H]3c3cc(C[NH+](C)C)n(C)n3)[nH]c2c1 ZINC000019710066 1399336371 /nfs/dbraw/zinc/33/63/71/1399336371.db2.gz XCNJBKPTZKUTLW-NRFANRHFSA-N 1 1 394.523 3.006 40 0 GGABMO CC(=O)Nc1ccc(OCC(=O)N2CC[C@@]3(C)[C@@H]2CCCCC[N@@H+]3C)cc1C ZINC000019713339 1399336814 /nfs/dbraw/zinc/33/68/14/1399336814.db2.gz XEZMYXOEFUIROP-UNMCSNQZSA-N 1 1 387.524 3.198 40 0 GGABMO C[N@H+]1CCCCC[C@@H]2N(C(=O)c3ccc(=O)[nH]n3)[C@H](c3ccccc3)C[C@@]21C ZINC000019713502 1399337526 /nfs/dbraw/zinc/33/75/26/1399337526.db2.gz OINUJGREXSRCLJ-IPJJNNNSSA-N 1 1 380.492 3.403 40 0 GGABMO Cc1nn(C)cc1C[N@H+]1[C@H](Cc2cccc(F)c2)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713883 1399337567 /nfs/dbraw/zinc/33/75/67/1399337567.db2.gz RRDCUIPEVSLSTD-QHAWAJNXSA-N 1 1 384.499 3.112 40 0 GGABMO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccc(OC)c(OCC)c3)[nH]2)cc1OC ZINC000095534342 1410315723 /nfs/dbraw/zinc/31/57/23/1410315723.db2.gz GPPCEWCNEDGKPF-IBGZPJMESA-N 1 1 398.463 3.334 40 0 GGABMO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@@H+](C[C@@H]4CC=CCC4)C3)[nH]c(=O)c2C1 ZINC000247951318 1433758311 /nfs/dbraw/zinc/75/83/11/1433758311.db2.gz SWAILVFTAAUJJV-SJLPKXTDSA-N 1 1 396.535 3.013 40 0 GGABMO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@@H+](C[C@@H]4CC=CCC4)C3)[nH]c(=O)c2C1 ZINC000247951315 1433758401 /nfs/dbraw/zinc/75/84/01/1433758401.db2.gz SWAILVFTAAUJJV-AEFFLSMTSA-N 1 1 396.535 3.013 40 0 GGABMO CC(C)[N@H+]1CCc2nc(C3CCN(C(=O)[C@H]4[C@@H]5CCCC[C@@H]54)CC3)[nH]c(=O)c2C1 ZINC000248141581 1433773702 /nfs/dbraw/zinc/77/37/02/1433773702.db2.gz CEZGFZZIOVKERE-YRWFTTLQSA-N 1 1 398.551 3.091 40 0 GGABMO c1cncc(-c2cnc(N3CCCC3)nc2[C@H]2CCC[N@H+](C[C@H]3CCOC3)C2)c1 ZINC000253588864 1433869670 /nfs/dbraw/zinc/86/96/70/1433869670.db2.gz WKXBNMQHGGUYAL-QUCCMNQESA-N 1 1 393.535 3.355 40 0 GGABMO C[C@@H]1Cc2cc(C(=O)C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)ccc2N1S(C)(=O)=O ZINC000253594182 1433869813 /nfs/dbraw/zinc/86/98/13/1433869813.db2.gz QZLWDXXRMHANNG-JFIYKMOQSA-N 1 1 390.549 3.092 40 0 GGABMO Cc1cccc(C)c1NC(=O)COc1ccc(C(=S)N2CC[NH+](C)CC2)cc1 ZINC000409231016 231184280 /nfs/dbraw/zinc/18/42/80/231184280.db2.gz HONQWMYXYVUFFX-UHFFFAOYSA-N 1 1 397.544 3.244 40 0 GGABMO Cc1ccc(NC(=O)COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2)cc1C ZINC000409238117 231185508 /nfs/dbraw/zinc/18/55/08/231185508.db2.gz CFTFAFSBMZSRLK-UHFFFAOYSA-N 1 1 397.544 3.244 40 0 GGABMO Cc1cccc(NC(=O)COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2)c1C ZINC000409244108 231186654 /nfs/dbraw/zinc/18/66/54/231186654.db2.gz XTEAWQHHSUSNSO-UHFFFAOYSA-N 1 1 397.544 3.244 40 0 GGABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccsc3)C[C@@H]1C2 ZINC000306142382 209109267 /nfs/dbraw/zinc/10/92/67/209109267.db2.gz WYCGDOUCNOMSHO-LSDHHAIUSA-N 1 1 397.479 3.035 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306142814 209109279 /nfs/dbraw/zinc/10/92/79/209109279.db2.gz XKRACPUMPIDHHU-NHCUHLMSSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306142814 209109284 /nfs/dbraw/zinc/10/92/84/209109284.db2.gz XKRACPUMPIDHHU-NHCUHLMSSA-N 1 1 376.435 3.104 40 0 GGABMO Fc1ccc(C[NH+]2CCN(c3nccn4c(-c5cccnc5)cnc34)CC2)cc1 ZINC000306144075 209109332 /nfs/dbraw/zinc/10/93/32/209109332.db2.gz YVNALTFQSQFFFM-UHFFFAOYSA-N 1 1 388.450 3.253 40 0 GGABMO CCn1cc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cn1 ZINC000306143737 209108877 /nfs/dbraw/zinc/10/88/77/209108877.db2.gz YLCIVKSXHVURSG-FQEVSTJZSA-N 1 1 387.491 3.387 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)COCC[C@H]3NC(=O)Cc2ccccc2)cc1 ZINC000306144699 209109252 /nfs/dbraw/zinc/10/92/52/209109252.db2.gz ZMNLKWUIJXDTHN-ISKFKSNPSA-N 1 1 394.515 3.035 40 0 GGABMO COc1ncccc1C[N@H+]1CC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306143031 209108481 /nfs/dbraw/zinc/10/84/81/209108481.db2.gz XRJIANNSWHKKKW-GOSISDBHSA-N 1 1 386.459 3.184 40 0 GGABMO CC(C)N1C[C@]2(CC[N@H+](Cc3cccs3)C2)Oc2ccccc2S1(=O)=O ZINC000306143782 209108391 /nfs/dbraw/zinc/10/83/91/209108391.db2.gz YLZNSZZEPGYPPT-LJQANCHMSA-N 1 1 392.546 3.184 40 0 GGABMO CC(C)N1C[C@]2(CC[N@@H+](Cc3cccs3)C2)Oc2ccccc2S1(=O)=O ZINC000306143782 209108394 /nfs/dbraw/zinc/10/83/94/209108394.db2.gz YLZNSZZEPGYPPT-LJQANCHMSA-N 1 1 392.546 3.184 40 0 GGABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306142811 209108401 /nfs/dbraw/zinc/10/84/01/209108401.db2.gz XKPXEKUAJOVTDL-GOSISDBHSA-N 1 1 395.482 3.085 40 0 GGABMO CN1CC[N@H+](Cc2ccsc2)C[C@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306144379 209108192 /nfs/dbraw/zinc/10/81/92/209108192.db2.gz ZDRPPTRGQKJMEW-IBGZPJMESA-N 1 1 381.549 3.485 40 0 GGABMO CN1CC[N@@H+](Cc2ccsc2)C[C@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306144379 209108196 /nfs/dbraw/zinc/10/81/96/209108196.db2.gz ZDRPPTRGQKJMEW-IBGZPJMESA-N 1 1 381.549 3.485 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4cccs4)C[C@H]32)cs1 ZINC000306142849 209108047 /nfs/dbraw/zinc/10/80/47/209108047.db2.gz XMJMAUBFBAHXFZ-ZWKOTPCHSA-N 1 1 384.530 3.396 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306142077 209107514 /nfs/dbraw/zinc/10/75/14/209107514.db2.gz WOUFBGWMUNOTOO-RTWAWAEBSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306142077 209107518 /nfs/dbraw/zinc/10/75/18/209107518.db2.gz WOUFBGWMUNOTOO-RTWAWAEBSA-N 1 1 376.435 3.104 40 0 GGABMO CCOC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000028632089 206254990 /nfs/dbraw/zinc/25/49/90/206254990.db2.gz UNUKHAWJCVUVAK-FQEVSTJZSA-N 1 1 385.508 3.206 40 0 GGABMO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)C[N@@H+](CCO)Cc1ccccc1)C2 ZINC000035075016 206257054 /nfs/dbraw/zinc/25/70/54/206257054.db2.gz XDIUUVWHZNDBSJ-SRUXOGRHSA-N 1 1 375.553 3.463 40 0 GGABMO COc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)C[C@H]2c2cccs2)c(OC)c1 ZINC000252516587 206281339 /nfs/dbraw/zinc/28/13/39/206281339.db2.gz USEKERMIMZQSRT-DZGCQCFKSA-N 1 1 375.494 3.232 40 0 GGABMO Cc1ccc2c(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)cc(=O)oc2c1C ZINC000036632746 206305132 /nfs/dbraw/zinc/30/51/32/206305132.db2.gz BCDYEECJAUMWDJ-FUHWJXTLSA-N 1 1 376.456 3.191 40 0 GGABMO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)N1CC(=O)Nc2ccccc21 ZINC000010140173 206374106 /nfs/dbraw/zinc/37/41/06/206374106.db2.gz DXTZBUJQVKJTLC-UHFFFAOYSA-N 1 1 388.471 3.333 40 0 GGABMO CN1CC[N@H+](Cc2cccs2)C[C@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306140413 209106783 /nfs/dbraw/zinc/10/67/83/209106783.db2.gz UTDVNASMMIERIM-FQEVSTJZSA-N 1 1 390.516 3.342 40 0 GGABMO CN1CC[N@@H+](Cc2cccs2)C[C@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306140413 209106786 /nfs/dbraw/zinc/10/67/86/209106786.db2.gz UTDVNASMMIERIM-FQEVSTJZSA-N 1 1 390.516 3.342 40 0 GGABMO COCC(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1csc3ccccc13)CCO2 ZINC000306138866 209106594 /nfs/dbraw/zinc/10/65/94/209106594.db2.gz SJPBPYSGFMLMAZ-TZIWHRDSSA-N 1 1 388.533 3.178 40 0 GGABMO CN1CC[N@H+](Cc2cccnc2)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306141678 209106484 /nfs/dbraw/zinc/10/64/84/209106484.db2.gz WDQSFYOVRSGTGY-JOCHJYFZSA-N 1 1 384.487 3.280 40 0 GGABMO CN1CC[N@@H+](Cc2cccnc2)C[C@@H]1c1cn2c(cccc2-c2ccncc2)n1 ZINC000306141678 209106487 /nfs/dbraw/zinc/10/64/87/209106487.db2.gz WDQSFYOVRSGTGY-JOCHJYFZSA-N 1 1 384.487 3.280 40 0 GGABMO Cc1ccc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)s1 ZINC000306138978 209106408 /nfs/dbraw/zinc/10/64/08/209106408.db2.gz SMEWWWIUIAYCSY-KRWDZBQOSA-N 1 1 397.548 3.315 40 0 GGABMO Cc1ncsc1C[N@H+]1CC[C@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306139294 209106446 /nfs/dbraw/zinc/10/64/46/209106446.db2.gz SUBZZNZMQCCMGA-OAQYLSRUSA-N 1 1 377.517 3.405 40 0 GGABMO CC(C)C[N@H+]1CCO[C@]2(CCCC[C@@H]2NC(=O)C2=NO[C@H](c3ccccc3)C2)C1 ZINC000306139095 209106214 /nfs/dbraw/zinc/10/62/14/209106214.db2.gz SPFOGQUHCDVFME-QNWVGRARSA-N 1 1 399.535 3.290 40 0 GGABMO CC(C)n1cnc([C@@H]2C[N@H+](C3CCC3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306138782 209106260 /nfs/dbraw/zinc/10/62/60/209106260.db2.gz SHLBBRFBZFMWTL-NZQKXSOJSA-N 1 1 393.535 3.230 40 0 GGABMO COc1ccccc1CN(CC[NH+](C)C)C(=O)Cc1nc2ccc(C)cc2[nH]1 ZINC000012117035 206858048 /nfs/dbraw/zinc/85/80/48/206858048.db2.gz KYCMJGFAKRVLBS-UHFFFAOYSA-N 1 1 380.492 3.013 40 0 GGABMO C[N@H+]1Cc2c(-c3cccc(F)c3)ncn2C2(CCN(c3ncc(F)cn3)CC2)C1 ZINC000306141861 209106061 /nfs/dbraw/zinc/10/60/61/209106061.db2.gz WIPHLIJNPYCGHO-UHFFFAOYSA-N 1 1 396.445 3.059 40 0 GGABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@H+](CC3CCCCC3)C[C@H]1C2 ZINC000306140091 209105823 /nfs/dbraw/zinc/10/58/23/209105823.db2.gz UJRAGGBDZYZSJO-SJORKVTESA-N 1 1 397.498 3.354 40 0 GGABMO Cc1nn(C)c2nc(-c3ccc(C)cc3)cc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)c12 ZINC000036613352 207047704 /nfs/dbraw/zinc/04/77/04/207047704.db2.gz NBGXYZMCKTYZLH-GOSISDBHSA-N 1 1 389.503 3.172 40 0 GGABMO O=C(COc1cccc2ccccc21)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217064 207095123 /nfs/dbraw/zinc/09/51/23/207095123.db2.gz INIYXEZKYTUWLE-UHFFFAOYSA-N 1 1 390.483 3.367 40 0 GGABMO Cc1ccc(OCCCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000018217518 207095305 /nfs/dbraw/zinc/09/53/05/207095305.db2.gz QRXSLJHTUHKVMF-UHFFFAOYSA-N 1 1 382.504 3.303 40 0 GGABMO Cc1ccc(CSCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000018217396 207095450 /nfs/dbraw/zinc/09/54/50/207095450.db2.gz QBWCSJADPQOUMK-UHFFFAOYSA-N 1 1 384.545 3.377 40 0 GGABMO CC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[N@@H+](C)CCc2ccccn2)C1 ZINC000019016967 207098967 /nfs/dbraw/zinc/09/89/67/207098967.db2.gz RADRGAFDPRCEJV-SFHVURJKSA-N 1 1 391.519 3.358 40 0 GGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+]3CCCOc3cccc(C)c3)ncc2C1 ZINC000019235181 207110239 /nfs/dbraw/zinc/11/02/39/207110239.db2.gz OTOVFYJHYNOAKY-JOCHJYFZSA-N 1 1 394.519 3.296 40 0 GGABMO CC(=O)N1CCc2nc([C@H]3CCC[N@H+]3CCCOc3cccc(C)c3)ncc2C1 ZINC000019235181 207110244 /nfs/dbraw/zinc/11/02/44/207110244.db2.gz OTOVFYJHYNOAKY-JOCHJYFZSA-N 1 1 394.519 3.296 40 0 GGABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)C(C)(C)c4ccc(F)cc4)C3)ncc2C1 ZINC000019085038 207102877 /nfs/dbraw/zinc/10/28/77/207102877.db2.gz ZQLHDULFLLYKLS-MRXNPFEDSA-N 1 1 396.510 3.287 40 0 GGABMO Cc1ccc([C@H](C)[NH+]2CCN(C(=O)CCN3Cc4ccccc4C3=O)CC2)cc1 ZINC000019136401 207104259 /nfs/dbraw/zinc/10/42/59/207104259.db2.gz ZGCUQGRSWFSHCQ-IBGZPJMESA-N 1 1 391.515 3.246 40 0 GGABMO Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c(C)c1 ZINC000019132724 207104392 /nfs/dbraw/zinc/10/43/92/207104392.db2.gz NOYKNBWGDUAAKS-YLJYHZDGSA-N 1 1 394.519 3.212 40 0 GGABMO Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1 ZINC000019135925 207104476 /nfs/dbraw/zinc/10/44/76/207104476.db2.gz FNCBIJOFLONZGR-IEBWSBKVSA-N 1 1 378.520 3.283 40 0 GGABMO Cc1ccc([C@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1 ZINC000019135937 207104764 /nfs/dbraw/zinc/10/47/64/207104764.db2.gz FNCBIJOFLONZGR-HKUYNNGSSA-N 1 1 378.520 3.283 40 0 GGABMO COc1cc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1 ZINC000019129208 207104895 /nfs/dbraw/zinc/10/48/95/207104895.db2.gz OMSCNFOEFXNQSU-INIZCTEOSA-N 1 1 381.480 3.017 40 0 GGABMO COc1cc(C)ccc1C[N@@H+]1CCc2nc(C3CCN(C(C)=O)CC3)ncc2C1 ZINC000019134115 207105006 /nfs/dbraw/zinc/10/50/06/207105006.db2.gz BTLYRMFHKNVUGC-UHFFFAOYSA-N 1 1 394.519 3.078 40 0 GGABMO COc1cc(C)ccc1C[N@H+]1CCc2nc(C3CCN(C(C)=O)CC3)ncc2C1 ZINC000019134115 207105011 /nfs/dbraw/zinc/10/50/11/207105011.db2.gz BTLYRMFHKNVUGC-UHFFFAOYSA-N 1 1 394.519 3.078 40 0 GGABMO Cc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccnc(N3CCCC3)n2)cc1 ZINC000019208466 207106173 /nfs/dbraw/zinc/10/61/73/207106173.db2.gz GJUFGNVILZJAAL-TYABSZSSSA-N 1 1 378.520 3.400 40 0 GGABMO CC(=O)NCCn1nc([C@H]2CC[N@@H+](Cc3ccc(C)c(C)c3)C2)c2cccnc21 ZINC000019213939 207106894 /nfs/dbraw/zinc/10/68/94/207106894.db2.gz IAANZMVFJJGGEP-FQEVSTJZSA-N 1 1 391.519 3.174 40 0 GGABMO Cc1ccc([C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H](C)C3)C[C@H]2c2csnn2)cc1 ZINC000019211967 207107073 /nfs/dbraw/zinc/10/70/73/207107073.db2.gz VLJMFDSPXLXCMV-NZSAHSFTSA-N 1 1 384.549 3.288 40 0 GGABMO Cc1ccc2c(CC(=O)N3CCC[C@H]3c3ncc4c(n3)CC[N@H+](C)C4)coc2c1 ZINC000019221609 207107210 /nfs/dbraw/zinc/10/72/10/207107210.db2.gz QKBOKYCEAHZSNG-FQEVSTJZSA-N 1 1 390.487 3.425 40 0 GGABMO Cc1ccc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C5CCOCC5)cc4n3)C2)o1 ZINC000019216616 207107805 /nfs/dbraw/zinc/10/78/05/207107805.db2.gz FGVAPFUMGZOTRM-QGZVFWFLSA-N 1 1 395.507 3.487 40 0 GGABMO CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](CCOc1cccc(C)c1)C2 ZINC000019235199 207109427 /nfs/dbraw/zinc/10/94/27/207109427.db2.gz RLTSJWWXFZCINF-QFIPXVFZSA-N 1 1 394.519 3.296 40 0 GGABMO CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](CCOc1cccc(C)c1)C2 ZINC000019235199 207109432 /nfs/dbraw/zinc/10/94/32/207109432.db2.gz RLTSJWWXFZCINF-QFIPXVFZSA-N 1 1 394.519 3.296 40 0 GGABMO Cc1cccc(C[N@H+]2CCCN(C(=O)CCc3ccc4c(c3)C[C@@H](C)O4)CC2)n1 ZINC000019236268 207109732 /nfs/dbraw/zinc/10/97/32/207109732.db2.gz PJCMZHHJZLGJED-LJQANCHMSA-N 1 1 393.531 3.381 40 0 GGABMO Cc1cccc(C[N@@H+]2CCCN(C(=O)CCc3ccc4c(c3)C[C@@H](C)O4)CC2)n1 ZINC000019236268 207109735 /nfs/dbraw/zinc/10/97/35/207109735.db2.gz PJCMZHHJZLGJED-LJQANCHMSA-N 1 1 393.531 3.381 40 0 GGABMO CC(=O)N1Cc2ccccc2O[C@H]([C@@H]2CCC[N@@H+](Cc3ccncc3C)C2)C1 ZINC000019239509 207112139 /nfs/dbraw/zinc/11/21/39/207112139.db2.gz JSTZTLMGBSLWOX-OFNKIYASSA-N 1 1 379.504 3.412 40 0 GGABMO Cc1nc(C)n(CCC(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CC[N@@H+]3C)n1 ZINC000019285996 207112611 /nfs/dbraw/zinc/11/26/11/207112611.db2.gz UHUPTJVIWVTUMF-MQSCRBSSSA-N 1 1 395.551 3.154 40 0 GGABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCN(Cc2ccccc2F)C[C@@H]1C(C)C ZINC000019287711 207112849 /nfs/dbraw/zinc/11/28/49/207112849.db2.gz GRTFZNDGBILJCO-DYESRHJHSA-N 1 1 386.515 3.336 40 0 GGABMO Cc1nc2ccccc2n1[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000019286680 207112866 /nfs/dbraw/zinc/11/28/66/207112866.db2.gz RFJLACDFRWLOSO-KRWDZBQOSA-N 1 1 392.503 3.054 40 0 GGABMO Cn1ccnc1[C@@H](O)c1ccccc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019291334 207113051 /nfs/dbraw/zinc/11/30/51/207113051.db2.gz ULGSQBSXCNVBLL-NRFANRHFSA-N 1 1 396.922 3.477 40 0 GGABMO Cn1c2ccc(C[NH2+][C@H](Cc3ccsc3)c3nccs3)cc2n(C)c1=O ZINC000019289807 207113343 /nfs/dbraw/zinc/11/33/43/207113343.db2.gz PSGXIROVEUPLKV-OAHLLOKOSA-N 1 1 384.530 3.469 40 0 GGABMO O=C(c1cc([C@@H]2CCC[N@@H+](CC3CCCCC3)C2)no1)N1CCC(O)CC1 ZINC000019292169 207115093 /nfs/dbraw/zinc/11/50/93/207115093.db2.gz LGIAOOMKPAUMFT-QGZVFWFLSA-N 1 1 375.513 3.031 40 0 GGABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](CC2=CCCOC2)C1)c1ccccn1 ZINC000019400313 207119513 /nfs/dbraw/zinc/11/95/13/207119513.db2.gz ANOGUDGDFXJISU-HKUYNNGSSA-N 1 1 398.532 3.068 40 0 GGABMO O=C1N[C@]2(CC[N@@H+](Cc3cc4c(cc3Cl)OCO4)C2)CCc2ccccc21 ZINC000019375231 207120030 /nfs/dbraw/zinc/12/00/30/207120030.db2.gz YGHXIQZNFWKSKA-NRFANRHFSA-N 1 1 384.863 3.389 40 0 GGABMO O=C1N[C@]2(CC[N@H+](Cc3cc4c(cc3Cl)OCO4)C2)CCc2ccccc21 ZINC000019375231 207120035 /nfs/dbraw/zinc/12/00/35/207120035.db2.gz YGHXIQZNFWKSKA-NRFANRHFSA-N 1 1 384.863 3.389 40 0 GGABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](CC2=CCCOC2)C1)c1ccccn1 ZINC000019400315 207120228 /nfs/dbraw/zinc/12/02/28/207120228.db2.gz ANOGUDGDFXJISU-PKOBYXMFSA-N 1 1 398.532 3.068 40 0 GGABMO O=C(c1cccc(F)c1)N1CC[NH+](Cc2cc(-c3ccccc3)c[nH]c2=O)CC1 ZINC000019373982 207120291 /nfs/dbraw/zinc/12/02/91/207120291.db2.gz LOURIHMSYPHDGM-UHFFFAOYSA-N 1 1 391.446 3.139 40 0 GGABMO COc1ccc(C[N@@H+](Cc2coc3ccccc3c2=O)C[C@H](C)O)cc1OC ZINC000019456019 207123329 /nfs/dbraw/zinc/12/33/29/207123329.db2.gz YRGPXFAQABCLIS-HNNXBMFYSA-N 1 1 383.444 3.193 40 0 GGABMO COc1ccc(C[N@H+](Cc2coc3ccccc3c2=O)C[C@H](C)O)cc1OC ZINC000019456019 207123334 /nfs/dbraw/zinc/12/33/34/207123334.db2.gz YRGPXFAQABCLIS-HNNXBMFYSA-N 1 1 383.444 3.193 40 0 GGABMO CC1CC[NH+](C2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)[nH]n3)CC2)CC1 ZINC000019496835 207124711 /nfs/dbraw/zinc/12/47/11/207124711.db2.gz SSDWVFRHGDJKBK-UHFFFAOYSA-N 1 1 396.491 3.142 40 0 GGABMO CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019499405 207124925 /nfs/dbraw/zinc/12/49/25/207124925.db2.gz UFQHEYFSDRQJJR-OALUTQOASA-N 1 1 398.482 3.125 40 0 GGABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN(C(=O)C5CC5)C4)[nH]c(=O)c3C2)CC1 ZINC000019495957 207125670 /nfs/dbraw/zinc/12/56/70/207125670.db2.gz SDPXNBQRUMAAJY-IIIMJFFVSA-N 1 1 398.551 3.235 40 0 GGABMO COc1cccc(C[N@@H+]2CCN(C(=O)CCn3ccc4ccncc43)[C@H](C)C2)c1 ZINC000019497771 207125717 /nfs/dbraw/zinc/12/57/17/207125717.db2.gz PYTUVTWQPSBBJT-GOSISDBHSA-N 1 1 392.503 3.168 40 0 GGABMO COc1cccc(C[N@H+]2CCN(C(=O)CCn3ccc4ccncc43)[C@H](C)C2)c1 ZINC000019497771 207125719 /nfs/dbraw/zinc/12/57/19/207125719.db2.gz PYTUVTWQPSBBJT-GOSISDBHSA-N 1 1 392.503 3.168 40 0 GGABMO CCOc1ccccc1C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019520089 207126770 /nfs/dbraw/zinc/12/67/70/207126770.db2.gz UNXCDBPNZCCAFQ-LJQANCHMSA-N 1 1 380.492 3.231 40 0 GGABMO CCc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(O)(Cn2nc(C(C)C)ccc2=O)C3)o1 ZINC000019522916 207129167 /nfs/dbraw/zinc/12/91/67/207129167.db2.gz XVKMKYABVOVGCG-NHJWOMDBSA-N 1 1 399.535 3.470 40 0 GGABMO COc1cc2c(cc1C[N@H+]1CC[C@H](c3nnc(-c4cnccn4)o3)C1)CCCC2 ZINC000019550540 207129817 /nfs/dbraw/zinc/12/98/17/207129817.db2.gz FFZXVIGXMLZZTQ-KRWDZBQOSA-N 1 1 391.475 3.404 40 0 GGABMO COc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)cc(OC)c1O ZINC000019549450 207130021 /nfs/dbraw/zinc/13/00/21/207130021.db2.gz MSQWVBJQJIFKTP-PMACEKPBSA-N 1 1 382.504 3.301 40 0 GGABMO CCOCc1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)ccc1OC ZINC000019531091 207130377 /nfs/dbraw/zinc/13/03/77/207130377.db2.gz UDTFFOJGEREVHY-NOXFTYBFSA-N 1 1 382.504 3.356 40 0 GGABMO CCOc1cc2c(cc1C[N@H+]1C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C1)OCO2 ZINC000019532509 207130468 /nfs/dbraw/zinc/13/04/68/207130468.db2.gz GTADXUARAZSLPE-XAEMIUIASA-N 1 1 396.487 3.247 40 0 GGABMO COc1ccc(OC)c([C@H](O)C[NH+]2CCN(c3nsc4ccccc43)CC2)c1 ZINC000019551180 207130716 /nfs/dbraw/zinc/13/07/16/207130716.db2.gz RYSOCOQQDKWOJN-GOSISDBHSA-N 1 1 399.516 3.169 40 0 GGABMO CC(C)c1cc(C(=O)N(C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)n[nH]1 ZINC000019451718 207120936 /nfs/dbraw/zinc/12/09/36/207120936.db2.gz KLGCOODHSBHPSY-UHFFFAOYSA-N 1 1 382.508 3.469 40 0 GGABMO CC(C)[N@@H+]1CCc2nc3cc(C(=O)N(C)C4CCCCC4)ccc3c(=O)n2CC1 ZINC000019448585 207121016 /nfs/dbraw/zinc/12/10/16/207121016.db2.gz OBGOEWAYXBXNAX-UHFFFAOYSA-N 1 1 396.535 3.068 40 0 GGABMO O=c1cc([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)nc(-c2ccccn2)[nH]1 ZINC000019402772 207122179 /nfs/dbraw/zinc/12/21/79/207122179.db2.gz AICBSQGNXUYSHO-HNNXBMFYSA-N 1 1 382.414 3.490 40 0 GGABMO CC(C)n1cc(C[N@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)c2ccccc21 ZINC000019454809 207123252 /nfs/dbraw/zinc/12/32/52/207123252.db2.gz ISKOPBANZWWEBM-UHFFFAOYSA-N 1 1 391.519 3.464 40 0 GGABMO COc1ccc2c(c1)C=C(C[N@@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1cccnc1)CO2 ZINC000019562248 207134774 /nfs/dbraw/zinc/13/47/74/207134774.db2.gz WBAAFYBPNUQYEN-SVGJNIJCSA-N 1 1 392.499 3.486 40 0 GGABMO COc1ccc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2CCO)cc1OCc1ccccc1 ZINC000019561724 207134850 /nfs/dbraw/zinc/13/48/50/207134850.db2.gz KKZZTNFUZNNCGT-YADHBBJMSA-N 1 1 396.531 3.305 40 0 GGABMO COc1cc(C)c(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cc1C ZINC000019567374 207135620 /nfs/dbraw/zinc/13/56/20/207135620.db2.gz UBMQBPYIFICSKI-UHFFFAOYSA-N 1 1 376.460 3.016 40 0 GGABMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019565067 207136019 /nfs/dbraw/zinc/13/60/19/207136019.db2.gz BYJZAAWVGVCZKQ-BHYGNILZSA-N 1 1 395.429 3.487 40 0 GGABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)N4CCCC4)on3)C2)c1OC ZINC000019567814 207136961 /nfs/dbraw/zinc/13/69/61/207136961.db2.gz OEFBOIASDCLVAE-MRXNPFEDSA-N 1 1 399.491 3.307 40 0 GGABMO Cc1c2ccccc2oc1C(=O)N1CC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019566018 207137168 /nfs/dbraw/zinc/13/71/68/207137168.db2.gz SDCCCXAZRDZVRA-OAHLLOKOSA-N 1 1 376.460 3.149 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c(C)c1C ZINC000019577284 207137638 /nfs/dbraw/zinc/13/76/38/207137638.db2.gz XFHRIBAZPAHGHO-LJQANCHMSA-N 1 1 390.487 3.447 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c(C)c1C ZINC000019577280 207138787 /nfs/dbraw/zinc/13/87/87/207138787.db2.gz ANCXEHCMHFCCBK-GOSISDBHSA-N 1 1 390.487 3.447 40 0 GGABMO Cc1oc2c(c1C(=O)N1CCc3nc([C@H]4CCC[N@H+](C)C4)ncc3C1)CCCC2 ZINC000019581272 207139212 /nfs/dbraw/zinc/13/92/12/207139212.db2.gz UVVNRHKICYOCEB-INIZCTEOSA-N 1 1 394.519 3.265 40 0 GGABMO C[N@@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(Cc2cccnc2)CC1 ZINC000019587741 207139317 /nfs/dbraw/zinc/13/93/17/207139317.db2.gz RVUVEZYQAZZSAE-DENIHFKCSA-N 1 1 396.510 3.392 40 0 GGABMO C[N@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(Cc2cccnc2)CC1 ZINC000019587741 207139321 /nfs/dbraw/zinc/13/93/21/207139321.db2.gz RVUVEZYQAZZSAE-DENIHFKCSA-N 1 1 396.510 3.392 40 0 GGABMO Cc1noc(C)c1CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000019580778 207139699 /nfs/dbraw/zinc/13/96/99/207139699.db2.gz AYYYOXBMHCYOMN-KCZVDYSFSA-N 1 1 385.483 3.452 40 0 GGABMO COc1cc2c(cc1C[N@H+]1CC[C@@H](c3nnc(-c4cnccn4)o3)C1)CCCC2 ZINC000019550538 207131595 /nfs/dbraw/zinc/13/15/95/207131595.db2.gz FFZXVIGXMLZZTQ-QGZVFWFLSA-N 1 1 391.475 3.404 40 0 GGABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)cc1 ZINC000019533247 207131630 /nfs/dbraw/zinc/13/16/30/207131630.db2.gz CEDZQJQYQDUPBN-LJQANCHMSA-N 1 1 394.519 3.160 40 0 GGABMO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+](Cc4cccc(OC)c4)[C@H]3C2)cc1 ZINC000019553162 207131826 /nfs/dbraw/zinc/13/18/26/207131826.db2.gz MWFJRCGVPWBFCO-KNQAVFIVSA-N 1 1 380.488 3.440 40 0 GGABMO COc1ccc(C[N@@H+](Cc2ccnc(N3CCCC3)n2)C[C@@H]2CCCO2)cc1 ZINC000019554818 207132065 /nfs/dbraw/zinc/13/20/65/207132065.db2.gz PZHJKUODNBUNJC-NRFANRHFSA-N 1 1 382.508 3.267 40 0 GGABMO COc1ccc(C[N@H+](Cc2ccnc(N3CCCC3)n2)C[C@@H]2CCCO2)cc1 ZINC000019554818 207132068 /nfs/dbraw/zinc/13/20/68/207132068.db2.gz PZHJKUODNBUNJC-NRFANRHFSA-N 1 1 382.508 3.267 40 0 GGABMO Cc1c(NC(=O)C[NH+]2CCC(COc3ccc(Cl)cc3)CC2)cnn1C ZINC000019553789 207132623 /nfs/dbraw/zinc/13/26/23/207132623.db2.gz GEPJIOAKYDMZNW-UHFFFAOYSA-N 1 1 376.888 3.111 40 0 GGABMO Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)CCc2ccccc2)[nH+]1 ZINC000019698140 207148158 /nfs/dbraw/zinc/14/81/58/207148158.db2.gz KUROQAUGZWUPNZ-HSZRJFAPSA-N 1 1 392.547 3.438 40 0 GGABMO Cn1cc(-c2ccc(C3CC[NH+](CC(=O)NC4CCCCC4)CC3)nc2)cn1 ZINC000019689024 207148426 /nfs/dbraw/zinc/14/84/26/207148426.db2.gz KRHXIBGWQBANGY-UHFFFAOYSA-N 1 1 381.524 3.110 40 0 GGABMO CCCc1cc(C(=O)N2CCC[C@@H]2c2cc(N3CCN(C)CC3)cc(C)[nH+]2)no1 ZINC000019698346 207148788 /nfs/dbraw/zinc/14/87/88/207148788.db2.gz SGRNAKIWJDPEEI-OAQYLSRUSA-N 1 1 397.523 3.060 40 0 GGABMO Cc1nc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)nc2c1CCCN2CC1CC1 ZINC000019706942 207150385 /nfs/dbraw/zinc/15/03/85/207150385.db2.gz IFTPFQMECDZHIJ-IBGZPJMESA-N 1 1 380.540 3.061 40 0 GGABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 ZINC000019690512 207149298 /nfs/dbraw/zinc/14/92/98/207149298.db2.gz GLTITGILUCOPKQ-QGZVFWFLSA-N 1 1 399.510 3.142 40 0 GGABMO Cn1nc([C@H]2CCCN(C(=O)C(C)(C)c3cccc(F)c3)C2)cc1C[NH+](C)C ZINC000019709034 207149925 /nfs/dbraw/zinc/14/99/25/207149925.db2.gz JXLSODULISUHSC-INIZCTEOSA-N 1 1 386.515 3.305 40 0 GGABMO CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CC[N@H+](Cc1cccc(C)c1)C2 ZINC000019708842 207150048 /nfs/dbraw/zinc/15/00/48/207150048.db2.gz VOROOMOMXZIUQG-LJQANCHMSA-N 1 1 393.535 3.111 40 0 GGABMO CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CC[N@@H+](Cc1cccc(C)c1)C2 ZINC000019708842 207150051 /nfs/dbraw/zinc/15/00/51/207150051.db2.gz VOROOMOMXZIUQG-LJQANCHMSA-N 1 1 393.535 3.111 40 0 GGABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCCN(C(=O)Cc4ccccc4OC)[C@@H]32)cc1 ZINC000019590788 207140819 /nfs/dbraw/zinc/14/08/19/207140819.db2.gz OAPKUDUSXIXTGB-PQNGQFLHSA-N 1 1 394.515 3.335 40 0 GGABMO COc1ccc(CCC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1 ZINC000019590286 207141055 /nfs/dbraw/zinc/14/10/55/207141055.db2.gz MSYDWRKPKBCXNA-OAQYLSRUSA-N 1 1 394.519 3.160 40 0 GGABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)c4cc5ccccc5o4)C3)ncc2C1 ZINC000019590443 207141096 /nfs/dbraw/zinc/14/10/96/207141096.db2.gz BRLZYBJTDHECOF-INIZCTEOSA-N 1 1 376.460 3.231 40 0 GGABMO CN1CC[N@@H+](Cc2ccncc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019589562 207141120 /nfs/dbraw/zinc/14/11/20/207141120.db2.gz OPLVYMSUNJCZER-QHCPKHFHSA-N 1 1 386.499 3.277 40 0 GGABMO CNc1ncccc1C[N@@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019592049 207141484 /nfs/dbraw/zinc/14/14/84/207141484.db2.gz HWHMHNNJMAPIPX-GOSISDBHSA-N 1 1 376.464 3.408 40 0 GGABMO CNc1ncccc1C[N@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019592049 207141487 /nfs/dbraw/zinc/14/14/87/207141487.db2.gz HWHMHNNJMAPIPX-GOSISDBHSA-N 1 1 376.464 3.408 40 0 GGABMO CN1CC[N@@H+](Cc2ccncc2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019589561 207141840 /nfs/dbraw/zinc/14/18/40/207141840.db2.gz OPLVYMSUNJCZER-HSZRJFAPSA-N 1 1 386.499 3.277 40 0 GGABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)COC[C@@H]1CCCO1 ZINC000019589086 207141872 /nfs/dbraw/zinc/14/18/72/207141872.db2.gz WLSCEJNLOBKRNO-QXUYBEEESA-N 1 1 386.536 3.051 40 0 GGABMO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019591770 207142178 /nfs/dbraw/zinc/14/21/78/207142178.db2.gz PYKFENWTBDLYBF-XMMPIXPASA-N 1 1 386.499 3.324 40 0 GGABMO COC(=O)c1ccc(CN2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)cc1 ZINC000019588418 207142250 /nfs/dbraw/zinc/14/22/50/207142250.db2.gz ZFQCGUVZUPZKNQ-UHFFFAOYSA-N 1 1 380.488 3.332 40 0 GGABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)CCc4ccc(Cl)cc4)C3)ncc2C1 ZINC000019590388 207142388 /nfs/dbraw/zinc/14/23/88/207142388.db2.gz NBZYYYBFGOKVBT-QGZVFWFLSA-N 1 1 398.938 3.457 40 0 GGABMO C[NH2+]C1CCC2(CC1)CN(Cc1cccnc1N(C)C)Cc1ccccc1O2 ZINC000019592019 207142441 /nfs/dbraw/zinc/14/24/41/207142441.db2.gz ZGVHIFUKYQQRMM-UHFFFAOYSA-N 1 1 380.536 3.443 40 0 GGABMO COc1ccccc1/C=C/CN1CCC(c2ncc3c(n2)CC[N@@H+](C)C3)CC1 ZINC000019590703 207142597 /nfs/dbraw/zinc/14/25/97/207142597.db2.gz BYFWWZWIRPKJCR-FNORWQNLSA-N 1 1 378.520 3.366 40 0 GGABMO COc1ccccc1/C=C/CN1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1 ZINC000019590703 207142600 /nfs/dbraw/zinc/14/26/00/207142600.db2.gz BYFWWZWIRPKJCR-FNORWQNLSA-N 1 1 378.520 3.366 40 0 GGABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)c4csc5c4CCCC5)C3)ncc2C1 ZINC000019590462 207142712 /nfs/dbraw/zinc/14/27/12/207142712.db2.gz DKWJCUZMOQAMAF-OAHLLOKOSA-N 1 1 396.560 3.425 40 0 GGABMO CNc1ncc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@H+]3C)cn1 ZINC000019592363 207143813 /nfs/dbraw/zinc/14/38/13/207143813.db2.gz MSWJJDKKGZIKKB-VAMGGRTRSA-N 1 1 379.508 3.001 40 0 GGABMO COCCOc1cccc(CN2C[C@H](C[NH+]3CCOCC3)c3ccccc32)c1 ZINC000019593770 207143968 /nfs/dbraw/zinc/14/39/68/207143968.db2.gz JGXQDAHIFILNMN-FQEVSTJZSA-N 1 1 382.504 3.148 40 0 GGABMO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)nn1C ZINC000019658771 207145744 /nfs/dbraw/zinc/14/57/44/207145744.db2.gz OBQDMJXWRPCVBD-KRWDZBQOSA-N 1 1 394.523 3.477 40 0 GGABMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)nn1C ZINC000019658771 207145748 /nfs/dbraw/zinc/14/57/48/207145748.db2.gz OBQDMJXWRPCVBD-KRWDZBQOSA-N 1 1 394.523 3.477 40 0 GGABMO O=C(C[N@@H+]1CCC[C@H]1Cn1cccn1)Nc1ccc(Oc2cccnc2)cc1 ZINC000019658109 207146119 /nfs/dbraw/zinc/14/61/19/207146119.db2.gz PFZYYJATAIBURG-SFHVURJKSA-N 1 1 377.448 3.174 40 0 GGABMO O=C(C[N@H+]1CCC[C@H]1Cn1cccn1)Nc1ccc(Oc2cccnc2)cc1 ZINC000019658109 207146125 /nfs/dbraw/zinc/14/61/25/207146125.db2.gz PFZYYJATAIBURG-SFHVURJKSA-N 1 1 377.448 3.174 40 0 GGABMO Cc1c(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3)C2)cccc1N1CCOCC1 ZINC000019664151 207146949 /nfs/dbraw/zinc/14/69/49/207146949.db2.gz FOHSXSFXVCGLPL-OAQYLSRUSA-N 1 1 393.531 3.051 40 0 GGABMO COc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(C[NH+](C)C)n(C)n2)cc1 ZINC000019709176 207151275 /nfs/dbraw/zinc/15/12/75/207151275.db2.gz YJNUYAOHEVRBLH-OAQYLSRUSA-N 1 1 384.524 3.177 40 0 GGABMO Cn1nc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)cc1C[NH+](C)C ZINC000019710065 207151707 /nfs/dbraw/zinc/15/17/07/207151707.db2.gz KPIKXEFHQLBVRN-LJQANCHMSA-N 1 1 397.454 3.253 40 0 GGABMO CNc1nc(C2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)CC2)nc2c1CC[N@H+](C)C2 ZINC000019711543 207152207 /nfs/dbraw/zinc/15/22/07/207152207.db2.gz FKFIRBCKNRXTGG-GOSISDBHSA-N 1 1 397.567 3.349 40 0 GGABMO CNc1nc(C2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019711543 207152213 /nfs/dbraw/zinc/15/22/13/207152213.db2.gz FKFIRBCKNRXTGG-GOSISDBHSA-N 1 1 397.567 3.349 40 0 GGABMO C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2ccc(Cn3cnnn3)cc2)c1 ZINC000019714825 207152257 /nfs/dbraw/zinc/15/22/57/207152257.db2.gz BRYRGRJJWNEVRG-KRWDZBQOSA-N 1 1 390.491 3.348 40 0 GGABMO COc1ccc(C2(CNC(=O)[C@@H]3CC[N@H+]3C3CCCCC3)CCOCC2)cc1 ZINC000019717667 207153990 /nfs/dbraw/zinc/15/39/90/207153990.db2.gz KXZAZSODJUNMCW-NRFANRHFSA-N 1 1 386.536 3.267 40 0 GGABMO CC1CCN(c2ncc(C[N@H+](C)Cc3ccccc3N3CCOCC3)cn2)CC1 ZINC000019715749 207154169 /nfs/dbraw/zinc/15/41/69/207154169.db2.gz DGSVUGGYZSWHJK-UHFFFAOYSA-N 1 1 395.551 3.182 40 0 GGABMO CC1CCN(c2ncc(C[N@@H+](C)Cc3ccccc3N3CCOCC3)cn2)CC1 ZINC000019715749 207154174 /nfs/dbraw/zinc/15/41/74/207154174.db2.gz DGSVUGGYZSWHJK-UHFFFAOYSA-N 1 1 395.551 3.182 40 0 GGABMO Cc1[nH+]ccn1CCC1CCN(C(=O)CCc2nc3ccccc3n2C)CC1 ZINC000019717628 207154441 /nfs/dbraw/zinc/15/44/41/207154441.db2.gz HIEBYXRUIBLIQS-UHFFFAOYSA-N 1 1 379.508 3.340 40 0 GGABMO C[N@H+]1CCCC[C@@H]1CC(=O)Nc1ccc(N2CCCC2)c(C(=O)N2CCCC2)c1 ZINC000019717624 207154621 /nfs/dbraw/zinc/15/46/21/207154621.db2.gz IUWUAFVHVYYSNA-LJQANCHMSA-N 1 1 398.551 3.336 40 0 GGABMO CCn1cc(-c2cc(C(=O)Nc3cccc(Cn4cc[nH+]c4C)c3)no2)cn1 ZINC000019719294 207155657 /nfs/dbraw/zinc/15/56/57/207155657.db2.gz JRNDGIBFLGHYTO-UHFFFAOYSA-N 1 1 376.420 3.364 40 0 GGABMO CN(C(=O)c1nccc2ccccc21)[C@H]1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000019745595 207157378 /nfs/dbraw/zinc/15/73/78/207157378.db2.gz RQTZOZUGYVHQHI-IBGZPJMESA-N 1 1 377.492 3.095 40 0 GGABMO Cc1cc2ncc(C[NH+](C)C)c([C@@H]3CCCN3C(=O)Cc3ccccc3)n2n1 ZINC000019743554 207158453 /nfs/dbraw/zinc/15/84/53/207158453.db2.gz GWRFRHGWHBDBER-IBGZPJMESA-N 1 1 377.492 3.006 40 0 GGABMO CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1C[N@@H+](CCc1ccccc1)CC2 ZINC000019752351 207159427 /nfs/dbraw/zinc/15/94/27/207159427.db2.gz MCAFZJLLWRAROC-OAQYLSRUSA-N 1 1 393.535 3.193 40 0 GGABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000019842669 207166250 /nfs/dbraw/zinc/16/62/50/207166250.db2.gz MZRMFRVEQBBGJK-UHFFFAOYSA-N 1 1 386.517 3.206 40 0 GGABMO CC(C)CNC(=O)c1cc([C@H]2CC[N@@H+](Cc3ccnn3C)C2)nc2ccccc21 ZINC000019762688 207161031 /nfs/dbraw/zinc/16/10/31/207161031.db2.gz FOHPGHCGPCNKKU-KRWDZBQOSA-N 1 1 391.519 3.344 40 0 GGABMO O=C(CC[NH+]1CCOCC1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000020052126 207176358 /nfs/dbraw/zinc/17/63/58/207176358.db2.gz QVUNZUALTBMNRZ-HNNXBMFYSA-N 1 1 375.519 3.210 40 0 GGABMO c1ccc(-c2nc3c4ccccc4nc(NCCC[NH+]4CCOCC4)n3n2)cc1 ZINC000020356894 207189561 /nfs/dbraw/zinc/18/95/61/207189561.db2.gz ROPYFBQSQGFYNW-UHFFFAOYSA-N 1 1 388.475 3.079 40 0 GGABMO COc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc(OC)c1OC ZINC000020492946 207199207 /nfs/dbraw/zinc/19/92/07/207199207.db2.gz LOXUZMPCNFJNDJ-UHFFFAOYSA-N 1 1 381.432 3.137 40 0 GGABMO O=C(NCCC[NH+]1CCOCC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258287 207250540 /nfs/dbraw/zinc/25/05/40/207250540.db2.gz OAVFARBSNSMGKJ-UHFFFAOYSA-N 1 1 388.895 3.371 40 0 GGABMO CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000022276635 207250859 /nfs/dbraw/zinc/25/08/59/207250859.db2.gz FCJVWNWYKSYYHT-OAQYLSRUSA-N 1 1 387.568 3.346 40 0 GGABMO COc1cc(CCC(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)cc(OC)c1 ZINC000022679270 207260110 /nfs/dbraw/zinc/26/01/10/207260110.db2.gz XBQDMBPIUHWVQA-FQEVSTJZSA-N 1 1 386.492 3.064 40 0 GGABMO Cc1cccc(NC(=O)C[N@@H+](C)CCCCN2C(=O)c3ccccc3C2=O)c1C ZINC000023039052 207266882 /nfs/dbraw/zinc/26/68/82/207266882.db2.gz DWEFYKGSRVTGIH-UHFFFAOYSA-N 1 1 393.487 3.250 40 0 GGABMO Cc1cc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)ccc1Cl ZINC000023633456 207280515 /nfs/dbraw/zinc/28/05/15/207280515.db2.gz LYIYIPNMLDIMQM-INIZCTEOSA-N 1 1 378.875 3.349 40 0 GGABMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000026894902 207320522 /nfs/dbraw/zinc/32/05/22/207320522.db2.gz UJEVWDXQMBNUIO-SFHVURJKSA-N 1 1 388.508 3.309 40 0 GGABMO CC[C@H](CNC(=O)c1cccc(C[S@@](C)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000040081376 207338124 /nfs/dbraw/zinc/33/81/24/207338124.db2.gz IFWKAJPDISLWTN-ZBLYBZFDSA-N 1 1 384.545 3.132 40 0 GGABMO CC[C@H](CNC(=O)c1cccc(C[S@@](C)=O)c1)[N@H+]1CCc2ccccc2C1 ZINC000040081376 207338128 /nfs/dbraw/zinc/33/81/28/207338128.db2.gz IFWKAJPDISLWTN-ZBLYBZFDSA-N 1 1 384.545 3.132 40 0 GGABMO CC[C@H](CNC(=O)c1cccc(C[S@](C)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000040081372 207338493 /nfs/dbraw/zinc/33/84/93/207338493.db2.gz IFWKAJPDISLWTN-JIPXPUAJSA-N 1 1 384.545 3.132 40 0 GGABMO CC[C@H](CNC(=O)c1cccc(C[S@](C)=O)c1)[N@H+]1CCc2ccccc2C1 ZINC000040081372 207338496 /nfs/dbraw/zinc/33/84/96/207338496.db2.gz IFWKAJPDISLWTN-JIPXPUAJSA-N 1 1 384.545 3.132 40 0 GGABMO CN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(Cl)cc2F)CC1 ZINC000040089787 207338531 /nfs/dbraw/zinc/33/85/31/207338531.db2.gz DBUVWZSUYICJIP-UHFFFAOYSA-N 1 1 375.875 3.157 40 0 GGABMO CCN1CC[NH+](Cc2ccc(CNC(=O)CCc3ccc(OC)cc3)cc2)CC1 ZINC000040115650 207342873 /nfs/dbraw/zinc/34/28/73/207342873.db2.gz DPAXMCREXVMPEU-UHFFFAOYSA-N 1 1 395.547 3.082 40 0 GGABMO Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000040121249 207343442 /nfs/dbraw/zinc/34/34/42/207343442.db2.gz SONIDIGUGLLTAH-UHFFFAOYSA-N 1 1 381.307 3.332 40 0 GGABMO CC(C)c1ccc(C[NH+]2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)cc1 ZINC000040162189 207363195 /nfs/dbraw/zinc/36/31/95/207363195.db2.gz JGANKUFNQAOZNX-UHFFFAOYSA-N 1 1 397.563 3.103 40 0 GGABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC000030870129 207378563 /nfs/dbraw/zinc/37/85/63/207378563.db2.gz BLILSXPMQWHJHF-UHFFFAOYSA-N 1 1 375.881 3.454 40 0 GGABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000072354647 208000352 /nfs/dbraw/zinc/00/03/52/208000352.db2.gz XCNVPXPXQBOUQA-KRWDZBQOSA-N 1 1 387.915 3.385 40 0 GGABMO Cc1nc(CC(=O)N2CC[N@H+](C3CCCC3)C[C@@H](Cc3ccccn3)C2)cs1 ZINC000072355204 208000371 /nfs/dbraw/zinc/00/03/71/208000371.db2.gz QAGLZPTTXRYRKN-GOSISDBHSA-N 1 1 398.576 3.335 40 0 GGABMO CCN(CC)C(=O)C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N(C)C)C1 ZINC000072352358 208000512 /nfs/dbraw/zinc/00/05/12/208000512.db2.gz DKXLADQWTGPSAK-HNNXBMFYSA-N 1 1 387.549 3.261 40 0 GGABMO CCN(CC)C(=O)C[N@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N(C)C)C1 ZINC000072352358 208000520 /nfs/dbraw/zinc/00/05/20/208000520.db2.gz DKXLADQWTGPSAK-HNNXBMFYSA-N 1 1 387.549 3.261 40 0 GGABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000072354582 208001213 /nfs/dbraw/zinc/00/12/13/208001213.db2.gz HBSVZEDSYVPBPJ-IBGZPJMESA-N 1 1 391.450 3.301 40 0 GGABMO NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000072352422 208001817 /nfs/dbraw/zinc/00/18/17/208001817.db2.gz OGAVXYGEEQWMIO-CQSZACIVSA-N 1 1 385.533 3.238 40 0 GGABMO NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000072352422 208001821 /nfs/dbraw/zinc/00/18/21/208001821.db2.gz OGAVXYGEEQWMIO-CQSZACIVSA-N 1 1 385.533 3.238 40 0 GGABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)CC1 ZINC000072359104 208002454 /nfs/dbraw/zinc/00/24/54/208002454.db2.gz SPTFXMJOORHOQM-GOSISDBHSA-N 1 1 382.483 3.473 40 0 GGABMO Cn1nccc1C[N@H+]1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371590 208004852 /nfs/dbraw/zinc/00/48/52/208004852.db2.gz JYBZRZARBHYBSY-OAHLLOKOSA-N 1 1 385.899 3.408 40 0 GGABMO Cn1nccc1C[N@@H+]1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371590 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376.444 3.095 40 0 GGABMO O=C(c1ccno1)N1CC[C@@]2(c3ccccc3)C[N@@H+](Cc3ccco3)C[C@@H]2C1 ZINC000096083312 208260490 /nfs/dbraw/zinc/26/04/90/208260490.db2.gz DKQYEDBHPDQKAK-GCJKJVERSA-N 1 1 377.444 3.184 40 0 GGABMO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC000096080847 208261863 /nfs/dbraw/zinc/26/18/63/208261863.db2.gz PCOSDWOQZRZWBI-CALCHBBNSA-N 1 1 376.909 3.093 40 0 GGABMO CC(C)CCN1[C@]2(CC[N@H+](Cc3ccncc3)C2)c2ccccc2S1(=O)=O ZINC000096143266 208270610 /nfs/dbraw/zinc/27/06/10/208270610.db2.gz RJDSQTUVWJTMMF-NRFANRHFSA-N 1 1 385.533 3.233 40 0 GGABMO CC(C)CCN1[C@]2(CC[N@@H+](Cc3ccncc3)C2)c2ccccc2S1(=O)=O ZINC000096143266 208270616 /nfs/dbraw/zinc/27/06/16/208270616.db2.gz RJDSQTUVWJTMMF-NRFANRHFSA-N 1 1 385.533 3.233 40 0 GGABMO CC(C)CCN1[C@]2(CC[N@H+](Cc3cccnc3)C2)c2ccccc2S1(=O)=O ZINC000096143264 208271080 /nfs/dbraw/zinc/27/10/80/208271080.db2.gz COQMWNKWUWWYDW-NRFANRHFSA-N 1 1 385.533 3.233 40 0 GGABMO CC(C)CCN1[C@]2(CC[N@@H+](Cc3cccnc3)C2)c2ccccc2S1(=O)=O 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OKWHJJXAQGRZGH-DVECYGJZSA-N 1 1 391.515 3.370 40 0 GGABMO O=C(c1cccc(Cl)c1)N1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096239885 208293755 /nfs/dbraw/zinc/29/37/55/208293755.db2.gz FCIIBQZXSFRLHL-UHFFFAOYSA-N 1 1 399.922 3.490 40 0 GGABMO Cc1cc(C(=O)N2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c(C)o1 ZINC000096239889 208294007 /nfs/dbraw/zinc/29/40/07/208294007.db2.gz AXQTUDNCJYJTMG-UHFFFAOYSA-N 1 1 383.492 3.046 40 0 GGABMO CN(C)C(=O)c1cc2c(nc1NCC1CC1)CC[N@@H+](Cc1ccccc1)CC2 ZINC000096260569 208294408 /nfs/dbraw/zinc/29/44/08/208294408.db2.gz CPRMPEMQRDWBHX-UHFFFAOYSA-N 1 1 378.520 3.206 40 0 GGABMO CC(C)NC(=O)c1cc2c(nc1NCC1CC1)CC[N@@H+](Cc1ccccn1)CC2 ZINC000096260593 208294567 /nfs/dbraw/zinc/29/45/67/208294567.db2.gz RIPHFJJPTSUWTG-UHFFFAOYSA-N 1 1 393.535 3.038 40 0 GGABMO Cc1ccc(C[N@@H+]2CCc3nc(-c4cnn(C)c4)nc(N(C)C)c3C2)cc1C ZINC000096254077 208295061 /nfs/dbraw/zinc/29/50/61/208295061.db2.gz QEWHRKNKJZSPRO-UHFFFAOYSA-N 1 1 376.508 3.118 40 0 GGABMO Cc1ccc(C[N@H+]2CCc3nc(-c4cnn(C)c4)nc(N(C)C)c3C2)cc1C ZINC000096254077 208295067 /nfs/dbraw/zinc/29/50/67/208295067.db2.gz QEWHRKNKJZSPRO-UHFFFAOYSA-N 1 1 376.508 3.118 40 0 GGABMO CC(C)CNc1nc2c(cc1C(=O)N(C)C)CC[N@@H+](Cc1ccccc1)CC2 ZINC000096260504 208296238 /nfs/dbraw/zinc/29/62/38/208296238.db2.gz LHVCBIABDXBROW-UHFFFAOYSA-N 1 1 380.536 3.452 40 0 GGABMO CN(C)c1nc2c(cc1C(=O)N1CCCC1)CC[N@@H+](Cc1ccccc1F)CC2 ZINC000096260392 208296480 /nfs/dbraw/zinc/29/64/80/208296480.db2.gz NRWOZABPAXTPFF-UHFFFAOYSA-N 1 1 396.510 3.124 40 0 GGABMO CCC[N@H+]1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccc(OC)cc1 ZINC000096261990 208298140 /nfs/dbraw/zinc/29/81/40/208298140.db2.gz ZFGPXERCKCIRTM-OAQYLSRUSA-N 1 1 386.517 3.211 40 0 GGABMO COc1ccc(NC(=O)c2ccc3nnc([C@@H]4CC[N@H+](C(C)C)C4)n3c2)cc1 ZINC000096267467 208300261 /nfs/dbraw/zinc/30/02/61/208300261.db2.gz OGHNNFYBXLVSBX-OAHLLOKOSA-N 1 1 379.464 3.188 40 0 GGABMO c1ccc(-c2c(C[NH+]3CCOCC3)c3ccccn3c2CN2CCOCC2)cc1 ZINC000096305919 208303823 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COc1ncccc1C[N@H+]1CC[C@]2(C1)Cn1c(-c3ccc(C)cc3)cnc1CO2 ZINC000306135797 209103698 /nfs/dbraw/zinc/10/36/98/209103698.db2.gz PBEVHHRRERNZAZ-QHCPKHFHSA-N 1 1 390.487 3.437 40 0 GGABMO COc1ccccc1-c1cnc2n1C[C@@]1(CC[N@@H+](Cc3cccnc3OC)C1)C2 ZINC000306132240 209102624 /nfs/dbraw/zinc/10/26/24/209102624.db2.gz LCPHKAVFOCOFBR-QHCPKHFHSA-N 1 1 390.487 3.411 40 0 GGABMO Cc1ncsc1C[N@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1cccs1 ZINC000306131889 209102176 /nfs/dbraw/zinc/10/21/76/209102176.db2.gz KSDFSFTZDSWUTF-DLBZAZTESA-N 1 1 384.530 3.396 40 0 GGABMO Cc1ncsc1C[N@@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1cccs1 ZINC000306131889 209102179 /nfs/dbraw/zinc/10/21/79/209102179.db2.gz KSDFSFTZDSWUTF-DLBZAZTESA-N 1 1 384.530 3.396 40 0 GGABMO Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3OCc2ccccc2)cc1 ZINC000306134121 209101740 /nfs/dbraw/zinc/10/17/40/209101740.db2.gz NDYIHPJYSFSBOX-BHIFYINESA-N 1 1 385.529 3.199 40 0 GGABMO Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3OCc2ccccc2)cc1 ZINC000306134121 209101742 /nfs/dbraw/zinc/10/17/42/209101742.db2.gz NDYIHPJYSFSBOX-BHIFYINESA-N 1 1 385.529 3.199 40 0 GGABMO Cc1nc(COCC[C@H]2C[N@@H+](CC3CCOCC3)Cc3ccnn32)cs1 ZINC000306133624 209100904 /nfs/dbraw/zinc/10/09/04/209100904.db2.gz MRHPENYTSGZOJK-IBGZPJMESA-N 1 1 376.526 3.038 40 0 GGABMO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019938587 208805403 /nfs/dbraw/zinc/80/54/03/208805403.db2.gz PKVDPLXJHQXEOF-LJQANCHMSA-N 1 1 378.875 3.037 40 0 GGABMO Cc1cc(CN2CCC[C@@]3(C[N@H+](CC4CCCC4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306131871 209100970 /nfs/dbraw/zinc/10/09/70/209100970.db2.gz KRTGUZXLMBXANI-HXUWFJFHSA-N 1 1 394.510 3.369 40 0 GGABMO Cc1cc(CN2CCC[C@@]3(C[N@@H+](CC4CCCC4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306131871 209100972 /nfs/dbraw/zinc/10/09/72/209100972.db2.gz KRTGUZXLMBXANI-HXUWFJFHSA-N 1 1 394.510 3.369 40 0 GGABMO Cc1ccsc1CN1CCN(C2=NO[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000306130941 209100453 /nfs/dbraw/zinc/10/04/53/209100453.db2.gz JSXAJCKQUBLNDB-WOJBJXKFSA-N 1 1 396.560 3.018 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@@H]32)cs1 ZINC000306129113 209100372 /nfs/dbraw/zinc/10/03/72/209100372.db2.gz HUZGDQUACBVWCT-PMACEKPBSA-N 1 1 396.491 3.474 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccc(F)cc4)C[C@@H]32)cs1 ZINC000306129113 209100373 /nfs/dbraw/zinc/10/03/73/209100373.db2.gz HUZGDQUACBVWCT-PMACEKPBSA-N 1 1 396.491 3.474 40 0 GGABMO Cc1ccsc1C[N@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000306128701 209100328 /nfs/dbraw/zinc/10/03/28/209100328.db2.gz HIOHUJCSADKRCD-HZPDHXFCSA-N 1 1 393.516 3.205 40 0 GGABMO O=C(c1ccsc1)N1C[C@]2(CC[N@@H+](Cc3cccnc3)C2)c2ncccc21 ZINC000306130292 209100044 /nfs/dbraw/zinc/10/00/44/209100044.db2.gz JBOBYUPAWSRYKB-OAQYLSRUSA-N 1 1 376.485 3.342 40 0 GGABMO Cc1cccc(C[NH+]2CC3(C2)OCC[C@H]3CCNC(=O)C2CC(F)(F)C2)c1 ZINC000306128017 209100037 /nfs/dbraw/zinc/10/00/37/209100037.db2.gz GNSXMXICSSCTRI-GOSISDBHSA-N 1 1 378.463 3.138 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2N1Cc1ccccn1 ZINC000306130087 209098870 /nfs/dbraw/zinc/09/88/70/209098870.db2.gz IVYQJRHMGBKUMG-LEWJYISDSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]2N1Cc1ccccn1 ZINC000306130087 209098876 /nfs/dbraw/zinc/09/88/76/209098876.db2.gz IVYQJRHMGBKUMG-LEWJYISDSA-N 1 1 376.435 3.104 40 0 GGABMO Cc1cccc(C(=O)N2CC3(C2)C[C@@H](COCc2ccncc2)CC[N@@H+]3C)c1 ZINC000306129233 209098905 /nfs/dbraw/zinc/09/89/05/209098905.db2.gz HYBBLLNVCPWKCX-FQEVSTJZSA-N 1 1 379.504 3.143 40 0 GGABMO Fc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306128078 209098754 /nfs/dbraw/zinc/09/87/54/209098754.db2.gz GPOBOMGBLQRGEU-GOSISDBHSA-N 1 1 395.482 3.085 40 0 GGABMO COc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccccn4)C2)OC3)cc1 ZINC000306127974 209098674 /nfs/dbraw/zinc/09/86/74/209098674.db2.gz GMNUPQRJUVORGM-QFIPXVFZSA-N 1 1 376.460 3.129 40 0 GGABMO C1=CC[C@@H](C[N@@H+]2CC[C@]3(C2)COCc2cnc(NCC4CCOCC4)nc23)CC1 ZINC000306130431 209099999 /nfs/dbraw/zinc/09/99/99/209099999.db2.gz JGDBZTZDVOGHSK-XXBNENTESA-N 1 1 398.551 3.145 40 0 GGABMO CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224741872 208932557 /nfs/dbraw/zinc/93/25/57/208932557.db2.gz VCLJWVJHJVWIFE-JOCHJYFZSA-N 1 1 382.504 3.301 40 0 GGABMO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224729300 208933363 /nfs/dbraw/zinc/93/33/63/208933363.db2.gz MPZQMPHULGDZRX-MRXNPFEDSA-N 1 1 388.895 3.256 40 0 GGABMO CC(C)C[N@H+]1CCO[C@@]2(CCCC[C@H]2NC(=O)c2ccc3c(c2)CCCO3)C1 ZINC000306128816 209099924 /nfs/dbraw/zinc/09/99/24/209099924.db2.gz HLJZDIINVADPLE-GGAORHGYSA-N 1 1 386.536 3.411 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4scnc4C)C[C@H]32)cs1 ZINC000306129297 209099747 /nfs/dbraw/zinc/09/97/47/209099747.db2.gz HZYCVCLRDPEPFL-IAGOWNOFSA-N 1 1 399.545 3.099 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4scnc4C)C[C@H]32)cs1 ZINC000306129297 209099750 /nfs/dbraw/zinc/09/97/50/209099750.db2.gz HZYCVCLRDPEPFL-IAGOWNOFSA-N 1 1 399.545 3.099 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2N1Cc1ccccn1 ZINC000306130090 209099550 /nfs/dbraw/zinc/09/95/50/209099550.db2.gz IVYQJRHMGBKUMG-SFTDATJTSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2N1Cc1ccccn1 ZINC000306130090 209099553 /nfs/dbraw/zinc/09/95/53/209099553.db2.gz IVYQJRHMGBKUMG-SFTDATJTSA-N 1 1 376.435 3.104 40 0 GGABMO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)N(Cc2cccnc2)C(=O)c2cccn23)s1 ZINC000306129247 209099405 /nfs/dbraw/zinc/09/94/05/209099405.db2.gz HYJCLHZMRQJLEY-UXHICEINSA-N 1 1 378.501 3.335 40 0 GGABMO C[C@@H](CNC(=O)/C=C/c1cccc(Br)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000032430025 208988691 /nfs/dbraw/zinc/98/86/91/208988691.db2.gz SZAZNLLFHXIZJT-HKJFTIBCSA-N 1 1 381.314 3.076 40 0 GGABMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc(-c4ccncc4)no3)C2)cc1F ZINC000062022925 209001938 /nfs/dbraw/zinc/00/19/38/209001938.db2.gz JEJVSTAFYHHQMD-INIZCTEOSA-N 1 1 395.438 3.430 40 0 GGABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4ccncc4)no3)C2)cc1F ZINC000062022925 209001942 /nfs/dbraw/zinc/00/19/42/209001942.db2.gz JEJVSTAFYHHQMD-INIZCTEOSA-N 1 1 395.438 3.430 40 0 GGABMO COc1cccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4cccnc4)C2)OC3)c1 ZINC000306126061 209097555 /nfs/dbraw/zinc/09/75/55/209097555.db2.gz DLAAIMIWTPDRNH-JOCHJYFZSA-N 1 1 376.460 3.129 40 0 GGABMO COc1ncccc1C[N@H+]1CC[C@@]2(C1)Cn1c(-c3ccsc3)cnc1CO2 ZINC000306127146 209096922 /nfs/dbraw/zinc/09/69/22/209096922.db2.gz FPLYYOCQIZQVDQ-HXUWFJFHSA-N 1 1 382.489 3.190 40 0 GGABMO Fc1cccc(C[NH+]2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)c1 ZINC000306123477 209095928 /nfs/dbraw/zinc/09/59/28/209095928.db2.gz AOHKUQAJYHFRKJ-UHFFFAOYSA-N 1 1 388.450 3.253 40 0 GGABMO COc1cc2c3c(c1)C(C[N@@H+]1CCc4ccccc4C1)=CC(C)(C)N3C(=O)C2=O ZINC000409417783 533173108 /nfs/dbraw/zinc/17/31/08/533173108.db2.gz MSBPWNHYDTTYDV-UHFFFAOYSA-N 1 1 388.467 3.458 40 0 GGABMO COc1cc2c3c(c1)C(C[N@H+]1CCc4ccccc4C1)=CC(C)(C)N3C(=O)C2=O ZINC000409417783 533173113 /nfs/dbraw/zinc/17/31/13/533173113.db2.gz MSBPWNHYDTTYDV-UHFFFAOYSA-N 1 1 388.467 3.458 40 0 GGABMO C[NH+]1CCN(c2nc3c(s2)CN(C(=O)c2ccco2)Cc2ccccc2-3)CC1 ZINC000306122991 209094721 /nfs/dbraw/zinc/09/47/21/209094721.db2.gz ABMRNUUHJSRLFQ-UHFFFAOYSA-N 1 1 394.500 3.311 40 0 GGABMO O=C(NC1CCCCC1)c1nnc2n1CC[C@@H]1C[N@H+](Cc3cccs3)C[C@H]21 ZINC000306123547 209094687 /nfs/dbraw/zinc/09/46/87/209094687.db2.gz APXAUTMTNCXQES-PBHICJAKSA-N 1 1 385.537 3.021 40 0 GGABMO F[C@@H]1C[N@H+](Cc2ccnc3ccccc23)C[C@@H]1OCc1nc2cccnc2[nH]1 ZINC000096112159 209008673 /nfs/dbraw/zinc/00/86/73/209008673.db2.gz GBIOIKWCKGULTO-APWZRJJASA-N 1 1 377.423 3.245 40 0 biogenic,in-vitro GGABMO F[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)C[C@@H]1OCc1nc2cccnc2[nH]1 ZINC000096112159 209008677 /nfs/dbraw/zinc/00/86/77/209008677.db2.gz GBIOIKWCKGULTO-APWZRJJASA-N 1 1 377.423 3.245 40 0 biogenic,in-vitro GGABMO O=C1[C@@H]2C[C@@H](C[N@H+]2C2CCOCC2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111785 209008994 /nfs/dbraw/zinc/00/89/94/209008994.db2.gz OYPKNUHKVIVMGG-FPOVZHCZSA-N 1 1 378.472 3.234 40 0 biogenic,in-vitro GGABMO FC(F)(F)c1cccc(N2CC[NH+](C3CCN(C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000245015241 209027716 /nfs/dbraw/zinc/02/77/16/209027716.db2.gz LSPICOMOFJBWKG-FQEVSTJZSA-N 1 1 397.485 3.471 40 0 GGABMO Cc1cc(Nc2cc(C[C@H]3CCC[N@@H+](Cc4cccnc4)C3)nc(C)n2)n[nH]1 ZINC000257204005 209054851 /nfs/dbraw/zinc/05/48/51/209054851.db2.gz ASPRZIBYHBOCDJ-QGZVFWFLSA-N 1 1 377.496 3.410 40 0 GGABMO CS(=O)(=O)N1CCC[C@@H](c2cc(-n3ccnc3-c3ccccc3)cc[nH+]2)C1 ZINC000257208356 209055061 /nfs/dbraw/zinc/05/50/61/209055061.db2.gz BLVSRDONVFZOHD-QGZVFWFLSA-N 1 1 382.489 3.073 40 0 GGABMO O=C1N(CCc2ccccc2)CC=CC[C@@]12C[N@@H+](CCc1ccccc1)CCO2 ZINC000257262259 209061763 /nfs/dbraw/zinc/06/17/63/209061763.db2.gz LKSSWHQUCVCITP-RUZDIDTESA-N 1 1 390.527 3.331 40 0 GGABMO CNC(=O)c1sc2nc([C@H]3CCC[N@H+]3Cc3cccc(C)n3)ccc2c1N ZINC000257210504 209056294 /nfs/dbraw/zinc/05/62/94/209056294.db2.gz BUXYODJACRVPIR-MRXNPFEDSA-N 1 1 381.505 3.279 40 0 GGABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000257244832 209058954 /nfs/dbraw/zinc/05/89/54/209058954.db2.gz INAGDQYFSXPWJM-DEOSSOPVSA-N 1 1 392.547 3.352 40 0 GGABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000257244833 209059258 /nfs/dbraw/zinc/05/92/58/209059258.db2.gz INAGDQYFSXPWJM-XMMPIXPASA-N 1 1 392.547 3.352 40 0 GGABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)c2ccc3[nH]c(C(C)C)nc3c2)[C@H]1O ZINC000257257372 209062151 /nfs/dbraw/zinc/06/21/51/209062151.db2.gz KPIJJPAWSMDILV-GUDVDZBRSA-N 1 1 381.480 3.028 40 0 GGABMO C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1cccn1 ZINC000257270781 209063710 /nfs/dbraw/zinc/06/37/10/209063710.db2.gz MVQBJOCOASBOAG-CFKFVRPNSA-N 1 1 392.547 3.358 40 0 GGABMO CN(C)C(=O)c1sc2nc([C@@H]3CCC[N@H+]3Cc3ccccn3)ccc2c1N ZINC000257266603 209063728 /nfs/dbraw/zinc/06/37/28/209063728.db2.gz MDRLDEPGUDPPHY-INIZCTEOSA-N 1 1 381.505 3.312 40 0 GGABMO Cc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)[NH+](C)C)o1 ZINC000015860103 221349085 /nfs/dbraw/zinc/34/90/85/221349085.db2.gz STZQGOGPJXPAIC-HNNXBMFYSA-N 1 1 381.270 3.148 40 0 GGABMO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)CN(C)C)C3)c2)c1 ZINC000257294050 209068835 /nfs/dbraw/zinc/06/88/35/209068835.db2.gz QSGDLINDPLXMRP-KRWDZBQOSA-N 1 1 382.508 3.410 40 0 GGABMO Cc1nc2cc([C@H]3CC[N@@H+](CC4CC4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257296160 209071071 /nfs/dbraw/zinc/07/10/71/209071071.db2.gz RBMDOCJZESVFLX-SFHVURJKSA-N 1 1 397.567 3.393 40 0 GGABMO Cc1cc(N2CCO[C@@H](c3cccc(Nc4ccc(F)cn4)n3)C2)nc(C)[nH+]1 ZINC000257309651 209072639 /nfs/dbraw/zinc/07/26/39/209072639.db2.gz UBUUORZNEBRTCX-QGZVFWFLSA-N 1 1 380.427 3.344 40 0 GGABMO COc1ccc(C(=O)N2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)cc1OC ZINC000408610007 533296552 /nfs/dbraw/zinc/29/65/52/533296552.db2.gz QCBHEFVLSLPNJY-HXUWFJFHSA-N 1 1 380.488 3.367 40 0 GGABMO C[C@H](CC[N@H+]1CCc2c(nc(N3C[C@@H](C)O[C@@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000072335588 136168446 /nfs/dbraw/zinc/16/84/46/136168446.db2.gz OFDBNDGNKASTIQ-KURKYZTESA-N 1 1 396.535 3.348 40 0 GGABMO CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCN(c2cc(N)nc(C)[nH+]2)CC1 ZINC000072347433 136168978 /nfs/dbraw/zinc/16/89/78/136168978.db2.gz GFXWOPNHMQSYKL-UHFFFAOYSA-N 1 1 393.413 3.018 40 0 GGABMO CC1(C)CC(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000096183183 136184973 /nfs/dbraw/zinc/18/49/73/136184973.db2.gz GYZKLTHVHORJDR-UHFFFAOYSA-N 1 1 391.515 3.045 40 0 GGABMO COc1ccccc1N1CC[NH+](CCn2ccc(-c3ccccc3)cc2=O)CC1 ZINC000098175303 136189021 /nfs/dbraw/zinc/18/90/21/136189021.db2.gz AOGWXMGZSBZGCM-UHFFFAOYSA-N 1 1 389.499 3.346 40 0 GGABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)c4cc(C(C)C)no4)C[C@@H]32)cc1 ZINC000257305051 209073256 /nfs/dbraw/zinc/07/32/56/209073256.db2.gz SOFLFDKZGXYLAQ-QWFCFKBJSA-N 1 1 383.492 3.367 40 0 GGABMO Cc1noc(C)c1-c1nc([C@H]2CCC[N@@H+](Cc3cnccn3)C2)ccc1CO ZINC000257313791 209074339 /nfs/dbraw/zinc/07/43/39/209074339.db2.gz UUEBMYIVXLZDCO-INIZCTEOSA-N 1 1 379.464 3.015 40 0 GGABMO Cc1cc(Nc2cccc([C@@H]3C[N@H+](CCc4ccccc4)CCO3)n2)nn1C ZINC000257323311 209076969 /nfs/dbraw/zinc/07/69/69/209076969.db2.gz WJPSQSIZZAXBIR-FQEVSTJZSA-N 1 1 377.492 3.483 40 0 GGABMO Cc1cc(Nc2cccc([C@@H]3C[N@@H+](CCc4ccccc4)CCO3)n2)nn1C ZINC000257323311 209076972 /nfs/dbraw/zinc/07/69/72/209076972.db2.gz WJPSQSIZZAXBIR-FQEVSTJZSA-N 1 1 377.492 3.483 40 0 GGABMO COCCOc1ccc(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cc1OC ZINC000072343289 222231555 /nfs/dbraw/zinc/23/15/55/222231555.db2.gz FSSMHCGNQLGSIG-KNQAVFIVSA-N 1 1 396.487 3.264 40 0 GGABMO COCCOc1ccc(C[N@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cc1OC ZINC000072343289 222231557 /nfs/dbraw/zinc/23/15/57/222231557.db2.gz FSSMHCGNQLGSIG-KNQAVFIVSA-N 1 1 396.487 3.264 40 0 GGABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000072344793 222232604 /nfs/dbraw/zinc/23/26/04/222232604.db2.gz UOYGBSATXOPJSE-HXUWFJFHSA-N 1 1 389.503 3.457 40 0 GGABMO Cc1nc(=O)c2ccccc2n1C1=CC[N@@H+](Cc2cccc3nccnc23)CC1 ZINC000072348318 222234858 /nfs/dbraw/zinc/23/48/58/222234858.db2.gz ZOORBYDPCLRAGP-UHFFFAOYSA-N 1 1 383.455 3.395 40 0 GGABMO O=C(C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1)N1CCOCC1 ZINC000072348724 222235060 /nfs/dbraw/zinc/23/50/60/222235060.db2.gz QTNFATIALVZCIR-GOSISDBHSA-N 1 1 399.922 3.440 40 0 GGABMO COc1cc(C)ccc1C[N@@H+]1CCc2nc([C@H]3CCCN(C(C)=O)C3)ncc2C1 ZINC000072390917 222246094 /nfs/dbraw/zinc/24/60/94/222246094.db2.gz SSCIFIFVHVNGJY-IBGZPJMESA-N 1 1 394.519 3.078 40 0 GGABMO COc1cc(C)ccc1C[N@H+]1CCc2nc([C@H]3CCCN(C(C)=O)C3)ncc2C1 ZINC000072390917 222246098 /nfs/dbraw/zinc/24/60/98/222246098.db2.gz SSCIFIFVHVNGJY-IBGZPJMESA-N 1 1 394.519 3.078 40 0 GGABMO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+]([C@H](C)Cc2ccc(F)cc2)C3)C1 ZINC000072390925 222246242 /nfs/dbraw/zinc/24/62/42/222246242.db2.gz JDSKFGJXMXGYBR-VQIMIIECSA-N 1 1 396.510 3.331 40 0 GGABMO COc1c(C)cccc1C[N@@H+]1CCc2nc([C@H]3CCCN(C(C)=O)C3)ncc2C1 ZINC000072390919 222246591 /nfs/dbraw/zinc/24/65/91/222246591.db2.gz SVIPVTGKMDUKLQ-IBGZPJMESA-N 1 1 394.519 3.078 40 0 GGABMO COc1c(C)cccc1C[N@H+]1CCc2nc([C@H]3CCCN(C(C)=O)C3)ncc2C1 ZINC000072390919 222246594 /nfs/dbraw/zinc/24/65/94/222246594.db2.gz SVIPVTGKMDUKLQ-IBGZPJMESA-N 1 1 394.519 3.078 40 0 GGABMO NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000072391307 222248893 /nfs/dbraw/zinc/24/88/93/222248893.db2.gz NZGUGQFIYVSFMQ-DEOSSOPVSA-N 1 1 386.499 3.454 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 ZINC000072393203 222252072 /nfs/dbraw/zinc/25/20/72/222252072.db2.gz DNBNUMVPTYTQLP-QGZVFWFLSA-N 1 1 376.460 3.220 40 0 GGABMO COc1ccc(F)c(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c1 ZINC000072393262 222252315 /nfs/dbraw/zinc/25/23/15/222252315.db2.gz ONAIWUQGTMBXSP-HNNXBMFYSA-N 1 1 394.450 3.359 40 0 GGABMO C=C1[NH+]=C(SCC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408985771 528617079 /nfs/dbraw/zinc/61/70/79/528617079.db2.gz AWCCRLALTCIVGC-INIZCTEOSA-N 1 1 394.493 3.303 40 0 GGABMO C=C1[NH+]=C(SCC)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408985772 528617426 /nfs/dbraw/zinc/61/74/26/528617426.db2.gz AWCCRLALTCIVGC-MRXNPFEDSA-N 1 1 394.493 3.303 40 0 GGABMO CC1=C[C@H](C)[C@H](C[N@@H+]2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)CC1 ZINC000072335585 535251481 /nfs/dbraw/zinc/25/14/81/535251481.db2.gz ZXYQNHFYMWQQER-XSLAGTTESA-N 1 1 386.540 3.146 40 0 GGABMO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000514288703 560034066 /nfs/dbraw/zinc/03/40/66/560034066.db2.gz VYHHJLTUGAWNSD-AEFFLSMTSA-N 1 1 376.378 3.423 40 0 biogenic,in-vitro GGABMO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000514288703 560034067 /nfs/dbraw/zinc/03/40/67/560034067.db2.gz VYHHJLTUGAWNSD-AEFFLSMTSA-N 1 1 376.378 3.423 40 0 biogenic,in-vitro GGABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)C2)CC1 ZINC000035446728 560079351 /nfs/dbraw/zinc/07/93/51/560079351.db2.gz GARRUMSXQVSUBG-ZDUSSCGKSA-N 1 1 380.414 3.382 40 0 biogenic,in-vitro GGABMO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)CC1 ZINC000035446728 560079352 /nfs/dbraw/zinc/07/93/52/560079352.db2.gz GARRUMSXQVSUBG-ZDUSSCGKSA-N 1 1 380.414 3.382 40 0 biogenic,in-vitro GGABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)CC1 ZINC000035446728 560079354 /nfs/dbraw/zinc/07/93/54/560079354.db2.gz GARRUMSXQVSUBG-ZDUSSCGKSA-N 1 1 380.414 3.382 40 0 biogenic,in-vitro GGABMO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)ccn1 ZINC000035424759 560080439 /nfs/dbraw/zinc/08/04/39/560080439.db2.gz KDYGPTWPNBZZIL-SFHVURJKSA-N 1 1 380.448 3.494 40 0 biogenic,in-vitro GGABMO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)ccn1 ZINC000035424759 560080440 /nfs/dbraw/zinc/08/04/40/560080440.db2.gz KDYGPTWPNBZZIL-SFHVURJKSA-N 1 1 380.448 3.494 40 0 biogenic,in-vitro GGABMO CN1CCN(c2ccc(-c3noc([C@@H]4CCC[N@H+]4C4CCCCC4)n3)cn2)CC1 ZINC000049155107 560083964 /nfs/dbraw/zinc/08/39/64/560083964.db2.gz GMZHXHKWJJWOJW-IBGZPJMESA-N 1 1 396.539 3.353 40 0 biogenic,in-vitro GGABMO COc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc5c(c4)OCO5)C3)o2)cc1 ZINC000049170132 560084486 /nfs/dbraw/zinc/08/44/86/560084486.db2.gz GHYTUYPIMURDGT-INIZCTEOSA-N 1 1 379.416 3.463 40 0 biogenic,in-vitro GGABMO Cc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(S(C)(=O)=O)cc4)C3)o2)cc1 ZINC000049169979 560084619 /nfs/dbraw/zinc/08/46/19/560084619.db2.gz UUDPFMKKVLRCJA-SFHVURJKSA-N 1 1 397.500 3.438 40 0 biogenic,in-vitro GGABMO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(S(C)(=O)=O)cc4)C3)o2)cc1 ZINC000049169979 560084621 /nfs/dbraw/zinc/08/46/21/560084621.db2.gz UUDPFMKKVLRCJA-SFHVURJKSA-N 1 1 397.500 3.438 40 0 biogenic,in-vitro GGABMO COc1cc(Br)c2c(c1O)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@H]1CCC(=O)C3 ZINC000005525596 564217205 /nfs/dbraw/zinc/21/72/05/564217205.db2.gz UOUFVSBEJRCBLX-UVBSCNOISA-N 1 1 380.282 3.031 40 0 biogenic,in-vitro GGABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COc2c(F)cc(Br)cc2F)C1 ZINC000012170228 564267334 /nfs/dbraw/zinc/26/73/34/564267334.db2.gz AUCXNZLKIXLPGQ-NTZNESFSSA-N 1 1 378.257 3.445 40 0 GGABMO C[C@@H](CNC(=O)/C=C/c1cccc(Br)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032430026 564399817 /nfs/dbraw/zinc/39/98/17/564399817.db2.gz SZAZNLLFHXIZJT-GSMFTCMCSA-N 1 1 381.314 3.076 40 0 GGABMO C[C@@H](CNC(=O)/C=C/c1cccc(Br)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032430026 564399821 /nfs/dbraw/zinc/39/98/21/564399821.db2.gz SZAZNLLFHXIZJT-GSMFTCMCSA-N 1 1 381.314 3.076 40 0 GGABMO Cc1nc(CSCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000036397931 564417402 /nfs/dbraw/zinc/41/74/02/564417402.db2.gz XMKDTFXCQUQMIG-KRWDZBQOSA-N 1 1 375.563 3.466 40 0 GGABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1Br ZINC000047276390 564516995 /nfs/dbraw/zinc/51/69/95/564516995.db2.gz IKVLIDUZOJYILH-UHFFFAOYSA-N 1 1 389.293 3.211 40 0 GGABMO O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000059384293 564693481 /nfs/dbraw/zinc/69/34/81/564693481.db2.gz MVUTYBPAOJGUCR-OKZBNKHCSA-N 1 1 384.314 3.143 40 0 GGABMO Cc1c[nH+]cc2cc(I)n(S(=O)(=O)c3ccccc3)c21 ZINC000095920098 564899944 /nfs/dbraw/zinc/89/99/44/564899944.db2.gz VWNNZSUCMUFBSP-UHFFFAOYSA-N 1 1 398.225 3.186 40 0 GGABMO CCOc1cc([C@@H]([NH3+])c2nc(-c3ccc(Br)o3)n[nH]2)ccc1OC ZINC000095534469 564899975 /nfs/dbraw/zinc/89/99/75/564899975.db2.gz NTSCYUOCEPDHJR-CQSZACIVSA-N 1 1 393.241 3.283 40 0 GGABMO O[C@@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000106627125 564986118 /nfs/dbraw/zinc/98/61/18/564986118.db2.gz MVUTYBPAOJGUCR-FGTMMUONSA-N 1 1 384.314 3.143 40 0 GGABMO O[C@@H](COC[C@H]1CCCO1)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000195529398 565889300 /nfs/dbraw/zinc/88/93/00/565889300.db2.gz MVUTYBPAOJGUCR-KZNAEPCWSA-N 1 1 384.314 3.143 40 0 GGABMO O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000195529399 565889445 /nfs/dbraw/zinc/88/94/45/565889445.db2.gz MVUTYBPAOJGUCR-RCCFBDPRSA-N 1 1 384.314 3.143 40 0 GGABMO COC[C@]1([NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218622287 565899703 /nfs/dbraw/zinc/89/97/03/565899703.db2.gz WGLSPHQPRTYZED-IKGGRYGDSA-N 1 1 386.300 3.277 40 0 GGABMO COC[C@@]1([NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218624194 565899707 /nfs/dbraw/zinc/89/97/07/565899707.db2.gz DBJSAMHFVZSXHL-IXDOHACOSA-N 1 1 386.300 3.277 40 0 GGABMO COC[C@@]1([NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218624344 565899713 /nfs/dbraw/zinc/89/97/13/565899713.db2.gz DBJSAMHFVZSXHL-YESZJQIVSA-N 1 1 386.300 3.277 40 0 GGABMO COC[C@@]1([NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218622218 565899940 /nfs/dbraw/zinc/89/99/40/565899940.db2.gz WGLSPHQPRTYZED-IXDOHACOSA-N 1 1 386.300 3.277 40 0 GGABMO CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2([NH3+])COC)cc1 ZINC000218639715 565900896 /nfs/dbraw/zinc/90/08/96/565900896.db2.gz RMDUYHBZGAMADG-IPMKNSEASA-N 1 1 379.909 3.186 40 0 GGABMO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2([NH3+])COC)cc1 ZINC000242648951 565984337 /nfs/dbraw/zinc/98/43/37/565984337.db2.gz RMDUYHBZGAMADG-QRVBRYPASA-N 1 1 379.909 3.186 40 0 GGABMO O[C@H]1[C@H](Oc2ccccc2)C[C@@H]([NH2+]Cc2ccccc2F)[C@@H]1N1CCCCC1 ZINC000585262407 570230621 /nfs/dbraw/zinc/23/06/21/570230621.db2.gz QHZQVZXZPKFVEY-LUKWVAJMSA-N 1 1 384.495 3.351 40 0 GGABMO Cc1ccc(C[N@@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)s1 ZINC000585273464 570241428 /nfs/dbraw/zinc/24/14/28/570241428.db2.gz VRSMHGCXZRXOEA-LJQANCHMSA-N 1 1 394.924 3.235 40 0 GGABMO Cc1ccc(C[N@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)s1 ZINC000585273464 570241434 /nfs/dbraw/zinc/24/14/34/570241434.db2.gz VRSMHGCXZRXOEA-LJQANCHMSA-N 1 1 394.924 3.235 40 0 GGABMO O[C@@]1(COc2ccc(Cl)cc2)COCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585273649 570242986 /nfs/dbraw/zinc/24/29/86/570242986.db2.gz QIIKNNHMXRTRDX-OAQYLSRUSA-N 1 1 386.879 3.464 40 0 GGABMO O[C@@]1(COc2cccc(Cl)c2)COCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585274103 570243296 /nfs/dbraw/zinc/24/32/96/570243296.db2.gz RKTPBVGVYXLCNE-OAQYLSRUSA-N 1 1 386.879 3.464 40 0 GGABMO CC(=O)N1CC[N@H+](C2CCCCCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585281839 570247914 /nfs/dbraw/zinc/24/79/14/570247914.db2.gz CCGSLJSMROXTGO-JOCHJYFZSA-N 1 1 392.515 3.131 40 0 GGABMO Cc1cc(C)c(C)c(OC[C@]2(O)COCC[N@@H+](CC3(O)CCCCCC3)C2)c1 ZINC000585281873 570248563 /nfs/dbraw/zinc/24/85/63/570248563.db2.gz DGMQSJYPQRNREO-HSZRJFAPSA-N 1 1 391.552 3.139 40 0 GGABMO COCCN1C(=O)CCC[C@@H]2[C@H]1CCC[N@H+]2C[C@@]1(O)CC[C@H](C(C)(C)C)CC1 ZINC000585283987 570252257 /nfs/dbraw/zinc/25/22/57/570252257.db2.gz QGRBUYCXSMXRCT-URFJDIBFSA-N 1 1 394.600 3.446 40 0 GGABMO O=c1c2cc(Br)ccc2nc2n1CC[N@H+](Cc1ccccc1)CC2 ZINC000585284056 570252262 /nfs/dbraw/zinc/25/22/62/570252262.db2.gz RAQVGWWYQAGILG-UHFFFAOYSA-N 1 1 384.277 3.217 40 0 GGABMO FC(F)(F)c1nc(-c2ccc([C@H]3CCC[N@@H+](Cc4cn[nH]c4)C3)nc2)no1 ZINC000585289442 570257404 /nfs/dbraw/zinc/25/74/04/570257404.db2.gz GJODIPRMBTYCOJ-ZDUSSCGKSA-N 1 1 378.358 3.253 40 0 GGABMO FC(F)(F)c1nc(-c2cccc([C@H]3CCC[N@@H+](Cc4cncnc4)C3)n2)no1 ZINC000585289889 570257852 /nfs/dbraw/zinc/25/78/52/570257852.db2.gz MKCCEOCWARFWHR-ZDUSSCGKSA-N 1 1 390.369 3.320 40 0 GGABMO Cn1ccc(C[N@@H+]2CCC[C@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)n1 ZINC000585290902 570259513 /nfs/dbraw/zinc/25/95/13/570259513.db2.gz XNUPZWCYYLAMPU-ZDUSSCGKSA-N 1 1 392.385 3.264 40 0 GGABMO Cn1ccc(C[N@H+]2CCC[C@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)n1 ZINC000585290902 570259515 /nfs/dbraw/zinc/25/95/15/570259515.db2.gz XNUPZWCYYLAMPU-ZDUSSCGKSA-N 1 1 392.385 3.264 40 0 GGABMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000035267085 570278450 /nfs/dbraw/zinc/27/84/50/570278450.db2.gz UDAZDFGNIYHMKH-AEFFLSMTSA-N 1 1 383.467 3.354 40 0 GGABMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000021131342 570292412 /nfs/dbraw/zinc/29/24/12/570292412.db2.gz ZBXLUWGUXOPEDU-MRXNPFEDSA-N 1 1 397.500 3.198 40 0 GGABMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000021131342 570292415 /nfs/dbraw/zinc/29/24/15/570292415.db2.gz ZBXLUWGUXOPEDU-MRXNPFEDSA-N 1 1 397.500 3.198 40 0 GGABMO CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000012332565 570319027 /nfs/dbraw/zinc/31/90/27/570319027.db2.gz NREJLGJVWBWLNZ-HNNXBMFYSA-N 1 1 375.538 3.070 40 0 GGABMO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)CN1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000022805012 570328970 /nfs/dbraw/zinc/32/89/70/570328970.db2.gz NCJVODIDTPEQSO-JVNMPXIPSA-N 1 1 386.580 3.397 40 0 GGABMO Cc1ccccc1[C@@H](OC[C@H](O)C[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000023408941 570361272 /nfs/dbraw/zinc/36/12/72/570361272.db2.gz MPFAKPMSMAGBCG-VWNXMTODSA-N 1 1 382.548 3.488 40 0 GGABMO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@H](C[NH+]1CCOCC1)C2=O ZINC000118915049 570367039 /nfs/dbraw/zinc/36/70/39/570367039.db2.gz OXMJWUNKEJJKIF-XNRLKVGWSA-N 1 1 387.564 3.438 40 0 GGABMO COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc4c[nH]nc4c3)CC2)cc1 ZINC000124708050 570377072 /nfs/dbraw/zinc/37/70/72/570377072.db2.gz VBYZOBXLGVEWSG-UHFFFAOYSA-N 1 1 392.503 3.239 40 0 GGABMO COc1cc(CC[NH+]2CCN(c3ccc(F)cc3F)CC2)cc(OC)c1OC ZINC000005335071 570434264 /nfs/dbraw/zinc/43/42/64/570434264.db2.gz VXWZGLDQKYPENI-UHFFFAOYSA-N 1 1 392.446 3.355 40 0 GGABMO CCc1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)ccc1OC ZINC000223710852 570480620 /nfs/dbraw/zinc/48/06/20/570480620.db2.gz JSXQDHQSLWEOQS-UHFFFAOYSA-N 1 1 385.489 3.230 40 0 GGABMO COc1cc(C)c(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c(C)c1 ZINC000224135894 570500569 /nfs/dbraw/zinc/50/05/69/570500569.db2.gz DPIRAUAWKXFMKH-UHFFFAOYSA-N 1 1 385.489 3.285 40 0 GGABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(COc3ccccc3OC)c2)CC1 ZINC000224246435 570505722 /nfs/dbraw/zinc/50/57/22/570505722.db2.gz JPDRJKBJHTUGNK-UHFFFAOYSA-N 1 1 384.476 3.061 40 0 GGABMO CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224571528 570518431 /nfs/dbraw/zinc/51/84/31/570518431.db2.gz BXHSXDDELIVOEJ-GOSISDBHSA-N 1 1 382.504 3.165 40 0 GGABMO COc1cc(C)c(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1C ZINC000224568198 570518641 /nfs/dbraw/zinc/51/86/41/570518641.db2.gz ANBVDMVXWUBDFM-UHFFFAOYSA-N 1 1 385.489 3.285 40 0 GGABMO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224572334 570518667 /nfs/dbraw/zinc/51/86/67/570518667.db2.gz GDLLFXPECJKVFI-OAQYLSRUSA-N 1 1 386.467 3.132 40 0 GGABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COc1ccccc1OC ZINC000224581653 570518872 /nfs/dbraw/zinc/51/88/72/570518872.db2.gz PZSIIYPXKLGYRP-UHFFFAOYSA-N 1 1 398.503 3.451 40 0 GGABMO Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000224574807 570519089 /nfs/dbraw/zinc/51/90/89/570519089.db2.gz NDUZUZYEDXBUSU-IBGZPJMESA-N 1 1 382.504 3.219 40 0 GGABMO C=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@H]([NH3+])[C@H]2SC1 ZINC000039303249 570526054 /nfs/dbraw/zinc/52/60/54/570526054.db2.gz PGRIZKHTKNBWQC-LAUBAEHRSA-N 1 1 392.480 3.002 40 0 GGABMO C[C@@H](SCc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224706773 570526130 /nfs/dbraw/zinc/52/61/30/570526130.db2.gz YQYSSJZVETXIBV-GOSISDBHSA-N 1 1 384.545 3.457 40 0 GGABMO Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000224734074 570527875 /nfs/dbraw/zinc/52/78/75/570527875.db2.gz BYARFOKDYHHRKG-IBGZPJMESA-N 1 1 382.504 3.219 40 0 GGABMO Cc1cccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1C ZINC000224738829 570528229 /nfs/dbraw/zinc/52/82/29/570528229.db2.gz LONUPQBEPQDJTF-LJQANCHMSA-N 1 1 382.504 3.219 40 0 GGABMO CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224739175 570528291 /nfs/dbraw/zinc/52/82/91/570528291.db2.gz OCERVXLQKQWCDQ-NRFANRHFSA-N 1 1 386.467 3.132 40 0 GGABMO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224739130 570528308 /nfs/dbraw/zinc/52/83/08/570528308.db2.gz OCERVXLQKQWCDQ-OAQYLSRUSA-N 1 1 386.467 3.132 40 0 GGABMO COc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C ZINC000224753510 570528927 /nfs/dbraw/zinc/52/89/27/570528927.db2.gz BXDRBLWFPCZFDN-UHFFFAOYSA-N 1 1 382.504 3.085 40 0 GGABMO O=C(Cc1ccc(Cl)cc1F)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224753040 570529138 /nfs/dbraw/zinc/52/91/38/570529138.db2.gz WYTDQPLMYNTEML-UHFFFAOYSA-N 1 1 376.859 3.170 40 0 GGABMO O=C(CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1F ZINC000022850970 570556042 /nfs/dbraw/zinc/55/60/42/570556042.db2.gz JQPHUFLXMOXOFW-UHFFFAOYSA-N 1 1 395.400 3.389 40 0 GGABMO COc1ccccc1OC[C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000225299298 570562765 /nfs/dbraw/zinc/56/27/65/570562765.db2.gz YSFNTWIFYFKQEC-MRXNPFEDSA-N 1 1 379.460 3.446 40 0 GGABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc3c(c2)OCCO3)cc1 ZINC000225457450 570576284 /nfs/dbraw/zinc/57/62/84/570576284.db2.gz SNQFFUMATLLXIZ-UHFFFAOYSA-N 1 1 380.473 3.439 40 0 GGABMO COc1ccc(CCNC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1OC ZINC000038849004 570586986 /nfs/dbraw/zinc/58/69/86/570586986.db2.gz BOPWDRWCTPVOMS-UHFFFAOYSA-N 1 1 379.460 3.230 40 0 GGABMO COc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000038836137 570587111 /nfs/dbraw/zinc/58/71/11/570587111.db2.gz AWVVDMCZTRBMLR-NRFANRHFSA-N 1 1 393.531 3.256 40 0 GGABMO O=C([C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000038836046 570587235 /nfs/dbraw/zinc/58/72/35/570587235.db2.gz UNCVMOLJNLJBMP-FQEVSTJZSA-N 1 1 381.495 3.387 40 0 GGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000038851294 570587634 /nfs/dbraw/zinc/58/76/34/570587634.db2.gz WPDHTUOOHMHNSS-UHFFFAOYSA-N 1 1 378.451 3.341 40 0 GGABMO CCOC(=O)C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000038854150 570588634 /nfs/dbraw/zinc/58/86/34/570588634.db2.gz TVCLEQKOVGMHKI-SFHVURJKSA-N 1 1 392.927 3.354 40 0 GGABMO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000225607395 570593165 /nfs/dbraw/zinc/59/31/65/570593165.db2.gz ZGYOGTKMZZRYEV-OAQYLSRUSA-N 1 1 378.513 3.177 40 0 GGABMO CO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCC[C@H](C)C1 ZINC000225636506 570597023 /nfs/dbraw/zinc/59/70/23/570597023.db2.gz BNMNKGUFKGMKQG-AVRDEDQJSA-N 1 1 390.524 3.322 40 0 GGABMO CCOc1ccccc1C[N@H+]1CCC[C@H](Cn2nnc(-c3ccncc3)n2)C1 ZINC000012085407 570606157 /nfs/dbraw/zinc/60/61/57/570606157.db2.gz HUCNEBXUOZNNAP-KRWDZBQOSA-N 1 1 378.480 3.046 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)c(OC)c1 ZINC000012085338 570606239 /nfs/dbraw/zinc/60/62/39/570606239.db2.gz ZORJBQLQTKTQCY-HNNXBMFYSA-N 1 1 399.520 3.331 40 0 GGABMO Cc1ccc2cc(CNc3ccc([NH+]4CCC(C(N)=O)CC4)cc3)c(=O)[nH]c2c1 ZINC000012088313 570606779 /nfs/dbraw/zinc/60/67/79/570606779.db2.gz ZAQBJSJGCBBEFE-UHFFFAOYSA-N 1 1 390.487 3.150 40 0 GGABMO COCc1ccc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3ccccn3)CC2)o1 ZINC000012089641 570607219 /nfs/dbraw/zinc/60/72/19/570607219.db2.gz PTVKTEXTDYUQAO-HSZRJFAPSA-N 1 1 393.487 3.225 40 0 GGABMO Cc1nccn1-c1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](C)O)cc1 ZINC000012116726 570611336 /nfs/dbraw/zinc/61/13/36/570611336.db2.gz WLOCZLTUWMNWSP-INIZCTEOSA-N 1 1 379.460 3.292 40 0 GGABMO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccnc4ccccc24)CC3)C1 ZINC000012117878 570611978 /nfs/dbraw/zinc/61/19/78/570611978.db2.gz LVLCQLTVAWKZIE-MRXNPFEDSA-N 1 1 389.503 3.113 40 0 GGABMO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc4ncccc4c2)CC3)C1 ZINC000012117874 570612209 /nfs/dbraw/zinc/61/22/09/570612209.db2.gz WJPWPAFSQLOJPK-MRXNPFEDSA-N 1 1 389.503 3.113 40 0 GGABMO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc4ncccc4c2)CC3)CC1 ZINC000012117865 570612219 /nfs/dbraw/zinc/61/22/19/570612219.db2.gz YQGGQGWNANUIRM-UHFFFAOYSA-N 1 1 389.503 3.113 40 0 GGABMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc2ccnc(-c3cccc(OC)c3)c21 ZINC000012134725 570613883 /nfs/dbraw/zinc/61/38/83/570613883.db2.gz BMTJOWYSINOEIE-LJQANCHMSA-N 1 1 392.503 3.312 40 0 GGABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@@H+](Cc3cccnc3)C1)O2 ZINC000012135332 570614148 /nfs/dbraw/zinc/61/41/48/570614148.db2.gz MKUIEHCOGPDUOQ-CVDCTZTESA-N 1 1 395.503 3.112 40 0 GGABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@@H+](Cc3cccnc3)C1)O2 ZINC000012135329 570614206 /nfs/dbraw/zinc/61/42/06/570614206.db2.gz MKUIEHCOGPDUOQ-WMZHIEFXSA-N 1 1 395.503 3.112 40 0 GGABMO O=C(C[NH+]1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1)N1CCCCCC1 ZINC000012184727 570620407 /nfs/dbraw/zinc/62/04/07/570620407.db2.gz KTFPMIIXUYVLEJ-UHFFFAOYSA-N 1 1 391.899 3.287 40 0 GGABMO COc1ccc(C[N@@H+](Cc2cc3c(cc2Cl)OCO3)C[C@H](C)O)cc1OC ZINC000012185509 570620535 /nfs/dbraw/zinc/62/05/35/570620535.db2.gz JNOLJHBRVQDDIU-ZDUSSCGKSA-N 1 1 393.867 3.469 40 0 GGABMO COc1ccc(C[N@H+](Cc2cc3c(cc2Cl)OCO3)C[C@H](C)O)cc1OC ZINC000012185509 570620536 /nfs/dbraw/zinc/62/05/36/570620536.db2.gz JNOLJHBRVQDDIU-ZDUSSCGKSA-N 1 1 393.867 3.469 40 0 GGABMO Cc1nccc(-c2ccc(-c3noc(C[N@@H+]4CCCC[C@H]4CCO)n3)cc2)n1 ZINC000012185939 570620902 /nfs/dbraw/zinc/62/09/02/570620902.db2.gz DEJJEKCGQLQTRN-SFHVURJKSA-N 1 1 379.464 3.239 40 0 GGABMO Cc1nccc(-c2ccc(-c3noc(C[N@H+]4CCCC[C@H]4CCO)n3)cc2)n1 ZINC000012185939 570620904 /nfs/dbraw/zinc/62/09/04/570620904.db2.gz DEJJEKCGQLQTRN-SFHVURJKSA-N 1 1 379.464 3.239 40 0 GGABMO CCOc1ncc(C2(O)CC[NH+](Cc3cccc(Cl)c3)CC2)c(OCC)n1 ZINC000012186401 570620921 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398.551 3.290 40 0 GGABMO CC(C)[C@@H](CNC(=O)c1ccccc1COc1ccccc1)N1CC[NH+](C)CC1 ZINC000042578135 570891775 /nfs/dbraw/zinc/89/17/75/570891775.db2.gz GJTAOCOPVUSGBR-HSZRJFAPSA-N 1 1 395.547 3.267 40 0 GGABMO C[C@@H](CC[N@H+]1CCc2c(nc(N3C[C@@H](C)O[C@@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000257279126 570900522 /nfs/dbraw/zinc/90/05/22/570900522.db2.gz OFDBNDGNKASTIQ-OKZBNKHCSA-N 1 1 396.535 3.348 40 0 GGABMO C[C@@H]1C[C@@H](C)CN(Cc2nnc(C[NH+]3C[C@H](C)C[C@@H](C)C3)n2-n2cccc2)C1 ZINC000260571964 570919841 /nfs/dbraw/zinc/91/98/41/570919841.db2.gz FVESPSCPWAUTHL-UAFMIMERSA-N 1 1 384.572 3.347 40 0 GGABMO CC(C)[C@@H](c1nnnn1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019446065 570925857 /nfs/dbraw/zinc/92/58/57/570925857.db2.gz ALOCAHYVXNIMPR-QFIPXVFZSA-N 1 1 390.535 3.236 40 0 GGABMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CN(c4ccc(=O)n(C)c4)C3=O)C2)cc1 ZINC000585099662 570925885 /nfs/dbraw/zinc/92/58/85/570925885.db2.gz VRDNPXXCINYVOP-HSZRJFAPSA-N 1 1 379.504 3.138 40 0 GGABMO 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382.411 3.364 40 0 GGABMO CCc1nn2c(nc(C[N@@H+](C)Cc3ccc(C(F)(F)F)cc3)cc2=O)s1 ZINC000057778778 1407714929 /nfs/dbraw/zinc/71/49/29/1407714929.db2.gz ZXQFMXHVXDSNGW-UHFFFAOYSA-N 1 1 382.411 3.364 40 0 GGABMO CCCOc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)cc1 ZINC000058066158 1407778673 /nfs/dbraw/zinc/77/86/73/1407778673.db2.gz FHQUGYZOJPNIRS-SFHVURJKSA-N 1 1 380.510 3.430 40 0 GGABMO CCN1CC[NH+](Cc2ccccc2CNC(=O)CCc2cccc(F)c2)CC1 ZINC000058130675 1407788063 /nfs/dbraw/zinc/78/80/63/1407788063.db2.gz HOTXRISBGAROSZ-UHFFFAOYSA-N 1 1 383.511 3.212 40 0 GGABMO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CC[NH+]2CCOCC2)cc1 ZINC000095116053 1410309111 /nfs/dbraw/zinc/30/91/11/1410309111.db2.gz IUWNXQGVENTKME-QFIPXVFZSA-N 1 1 393.487 3.095 40 0 GGABMO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(OC)c(OCC)c3)[nH]2)cc1OC ZINC000095534491 1410315410 /nfs/dbraw/zinc/31/54/10/1410315410.db2.gz DZYSPXCWHNGHKD-IBGZPJMESA-N 1 1 398.463 3.334 40 0 GGABMO CCOc1ccc(-c2nnc([C@H]([NH3+])c3ccc(OCC)c(OC)c3)[nH]2)cc1OC ZINC000095534346 1410315446 /nfs/dbraw/zinc/31/54/46/1410315446.db2.gz FQLXHIZBDSBJQN-LJQANCHMSA-N 1 1 398.463 3.334 40 0 GGABMO COC[C@@H](C)NC(=O)c1c(C)n([C@H]2CCC[N@H+](C(C)C)C2)nc1C(F)(F)F ZINC000105684176 1411100247 /nfs/dbraw/zinc/10/02/47/1411100247.db2.gz LNZPAJRPFVUUKF-OCCSQVGLSA-N 1 1 390.450 3.020 40 0 GGABMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000189982576 1432299081 /nfs/dbraw/zinc/29/90/81/1432299081.db2.gz IUEVEVGVLOOHPE-INIZCTEOSA-N 1 1 390.553 3.371 40 0 GGABMO FC(F)(F)c1nnc(N2CCC[N@@H+](Cc3ccc4c[nH]nc4c3)CC2)s1 ZINC000191686142 1432706037 /nfs/dbraw/zinc/70/60/37/1432706037.db2.gz MNQQAURBAKKPMU-UHFFFAOYSA-N 1 1 382.415 3.146 40 0 GGABMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000245237218 1433455754 /nfs/dbraw/zinc/45/57/54/1433455754.db2.gz GNEYQTWPUCZTQH-PMACEKPBSA-N 1 1 396.487 3.481 40 0 GGABMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000245237218 1433455756 /nfs/dbraw/zinc/45/57/56/1433455756.db2.gz GNEYQTWPUCZTQH-PMACEKPBSA-N 1 1 396.487 3.481 40 0 GGABMO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+]([C@@H](C)Cc2ccc(F)cc2)C3)C1 ZINC000247929331 1433757033 /nfs/dbraw/zinc/75/70/33/1433757033.db2.gz JDSKFGJXMXGYBR-LPHOPBHVSA-N 1 1 396.510 3.331 40 0 GGABMO C[N@@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(Cc2cccnc2)CC1 ZINC000248145652 1433774204 /nfs/dbraw/zinc/77/42/04/1433774204.db2.gz RVUVEZYQAZZSAE-KNQAVFIVSA-N 1 1 396.510 3.392 40 0 GGABMO C[N@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(Cc2cccnc2)CC1 ZINC000248145652 1433774208 /nfs/dbraw/zinc/77/42/08/1433774208.db2.gz RVUVEZYQAZZSAE-KNQAVFIVSA-N 1 1 396.510 3.392 40 0 GGABMO Cn1cc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cn1 ZINC000248158932 1433776001 /nfs/dbraw/zinc/77/60/01/1433776001.db2.gz WPJVPLNXOSYJGA-FXAWDEMLSA-N 1 1 395.532 3.260 40 0 GGABMO C[C@H](c1ccccc1F)n1cc(C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)nn1 ZINC000251987241 1433861806 /nfs/dbraw/zinc/86/18/06/1433861806.db2.gz HULMNITWFYQMMA-IXDOHACOSA-N 1 1 387.503 3.409 40 0 GGABMO c1cncc(-c2cnc(N3CCCC3)nc2[C@@H]2CCC[N@H+](C[C@H]3CCOC3)C2)c1 ZINC000253588865 1433869645 /nfs/dbraw/zinc/86/96/45/1433869645.db2.gz WKXBNMQHGGUYAL-UYAOXDASSA-N 1 1 393.535 3.355 40 0 GGABMO COc1ccccc1[C@]1(O)CCC[N@@H+](C[C@H](O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000253593888 1433869818 /nfs/dbraw/zinc/86/98/18/1433869818.db2.gz CCBLBOIKWDHIQR-CGYQNGNCSA-N 1 1 383.488 3.036 40 0 GGABMO COc1ccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1OC ZINC000264062623 1434068013 /nfs/dbraw/zinc/06/80/13/1434068013.db2.gz GUIJEJDJFXGDEZ-UHFFFAOYSA-N 1 1 380.488 3.367 40 0 GGABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1cccn1Cc1ccc(Cl)c(Cl)c1 ZINC000019575310 210268144 /nfs/dbraw/zinc/26/81/44/210268144.db2.gz WZKVUBPBNVLPFC-FHLIZLRMSA-N 1 1 394.346 3.483 40 0 GGABMO CC(=O)N(C)C1CCC2(CC1)C[N@@H+](Cc1[nH]cnc1C)Cc1ccccc1O2 ZINC000019577040 210267410 /nfs/dbraw/zinc/26/74/10/210267410.db2.gz QRQANCYVQGADHG-UHFFFAOYSA-N 1 1 382.508 3.272 40 0 GGABMO COc1ccc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c(C)c1C ZINC000019577385 210267155 /nfs/dbraw/zinc/26/71/55/210267155.db2.gz CWICKXBNSKKHAT-UHFFFAOYSA-N 1 1 376.460 3.016 40 0 GGABMO COc1cc(C)c(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1C ZINC000019567236 210266480 /nfs/dbraw/zinc/26/64/80/210266480.db2.gz QHKKOKHYTGJJPU-GOSISDBHSA-N 1 1 390.487 3.447 40 0 GGABMO COc1cccc(C[N@H+]2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 ZINC000019565171 210265590 /nfs/dbraw/zinc/26/55/90/210265590.db2.gz FGYPWSZFSVLLMM-SFHVURJKSA-N 1 1 376.460 3.220 40 0 GGABMO Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019565833 210265149 /nfs/dbraw/zinc/26/51/49/210265149.db2.gz HQOGNFCHGBPIEB-IBGZPJMESA-N 1 1 375.476 3.232 40 0 GGABMO COc1cc(C)c(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1C ZINC000019567239 210265366 /nfs/dbraw/zinc/26/53/66/210265366.db2.gz QHKKOKHYTGJJPU-SFHVURJKSA-N 1 1 390.487 3.447 40 0 GGABMO COc1cc(C)c(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1C ZINC000019567233 210264953 /nfs/dbraw/zinc/26/49/53/210264953.db2.gz MUJQAXOZGYAXQR-KRWDZBQOSA-N 1 1 390.487 3.447 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2C(=O)N3)c(OC)c1OC ZINC000019552748 210262357 /nfs/dbraw/zinc/26/23/57/210262357.db2.gz ICASIBHAISCGRN-QHCPKHFHSA-N 1 1 396.487 3.033 40 0 GGABMO COc1cc2c(cc1CN1C[C@@H]3CCC[N@H+]3C[C@H]1Cc1ccccc1)OCO2 ZINC000019550598 210261262 /nfs/dbraw/zinc/26/12/62/210261262.db2.gz DRAHEAIZRHJQRW-VQTJNVASSA-N 1 1 380.488 3.315 40 0 GGABMO Cc1nn2c(nc(C)c(C)c2NCCC[NH+]2CCOCC2)c1-c1ccccc1 ZINC000019555634 210260816 /nfs/dbraw/zinc/26/08/16/210260816.db2.gz AOGQVYWIHRYRDK-UHFFFAOYSA-N 1 1 379.508 3.456 40 0 GGABMO Cc1c(C[N@H+]2CCC[C@H](c3cc(C(=O)NCC4CCCCC4)on3)C2)cnn1C ZINC000019553675 210260849 /nfs/dbraw/zinc/26/08/49/210260849.db2.gz VWKCEZUULGQUFZ-SFHVURJKSA-N 1 1 399.539 3.406 40 0 GGABMO CCOc1ccc(CN2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)cc1OC ZINC000019533770 210260156 /nfs/dbraw/zinc/26/01/56/210260156.db2.gz NKJXTFXTJUFWSS-UHFFFAOYSA-N 1 1 396.535 3.251 40 0 GGABMO CCOc1ccc(CN2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cc1OC ZINC000019533770 210260161 /nfs/dbraw/zinc/26/01/61/210260161.db2.gz NKJXTFXTJUFWSS-UHFFFAOYSA-N 1 1 396.535 3.251 40 0 GGABMO CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1 ZINC000019532998 210259760 /nfs/dbraw/zinc/25/97/60/210259760.db2.gz ZIQABEZMVAWCLD-OAQYLSRUSA-N 1 1 394.519 3.160 40 0 GGABMO CCOCc1ccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1 ZINC000019531243 210259691 /nfs/dbraw/zinc/25/96/91/210259691.db2.gz ACKPTMZDQVQKPD-IBGZPJMESA-N 1 1 394.519 3.021 40 0 GGABMO CCN1CC[NH+](CCCNc2ncc(-c3cc(C)no3)c(-c3ccco3)n2)CC1 ZINC000019528193 210259323 /nfs/dbraw/zinc/25/93/23/210259323.db2.gz ZXRNPYQBTIIZEZ-UHFFFAOYSA-N 1 1 396.495 3.140 40 0 GGABMO CCOc1ncc([C@]2(O)CC[C@H]3C[N@@H+](C[C@H]4CC=CCC4)C[C@H]32)c(OCC)n1 ZINC000019531771 210259257 /nfs/dbraw/zinc/25/92/57/210259257.db2.gz SRSHLRCBWPPJSN-ZHDKGAKHSA-N 1 1 387.524 3.160 40 0 GGABMO CCOCc1ccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1 ZINC000019531241 210258355 /nfs/dbraw/zinc/25/83/55/210258355.db2.gz ACKPTMZDQVQKPD-LJQANCHMSA-N 1 1 394.519 3.021 40 0 GGABMO CC[N@H+]1CCC[C@H]1CNCc1nc(-c2ccc(-c3ccnc(C)n3)cc2)no1 ZINC000019527265 210257795 /nfs/dbraw/zinc/25/77/95/210257795.db2.gz MDPSKVFBDMGNIN-SFHVURJKSA-N 1 1 378.480 3.076 40 0 GGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccnn1[C@@H]1CCCCO1)Cc1cccnc1 ZINC000019527193 210257074 /nfs/dbraw/zinc/25/70/74/210257074.db2.gz DHVVKSGVYXWJFQ-IRLDBZIGSA-N 1 1 383.540 3.464 40 0 GGABMO CCc1ncc(C[N@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C(C)=O)cn1 ZINC000019523455 210256792 /nfs/dbraw/zinc/25/67/92/210256792.db2.gz PCUPJPLMLOLXGY-KCZVDYSFSA-N 1 1 382.483 3.157 40 0 GGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccccn1)Cc1cc2c(cc1OC)OCO2 ZINC000019527155 210255748 /nfs/dbraw/zinc/25/57/48/210255748.db2.gz YOJZMQYDOVBCSR-LJQANCHMSA-N 1 1 383.492 3.305 40 0 GGABMO CC1CCN(CC(=O)N2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)CC1 ZINC000019496878 210252731 /nfs/dbraw/zinc/25/27/31/210252731.db2.gz BJSYCZWMBXVVPM-UHFFFAOYSA-N 1 1 399.579 3.383 40 0 GGABMO CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019499402 210252165 /nfs/dbraw/zinc/25/21/65/210252165.db2.gz UFQHEYFSDRQJJR-RTBURBONSA-N 1 1 398.482 3.125 40 0 GGABMO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc4ccccc4n2)CC3)CC1 ZINC000019496942 210252044 /nfs/dbraw/zinc/25/20/44/210252044.db2.gz KZFHTIWWOUHRMI-UHFFFAOYSA-N 1 1 389.503 3.113 40 0 GGABMO C[C@H](CC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2C)n1cccn1 ZINC000019455525 210251344 /nfs/dbraw/zinc/25/13/44/210251344.db2.gz OLOHBBUKODAORQ-MRXNPFEDSA-N 1 1 380.496 3.346 40 0 GGABMO CC(C)c1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 ZINC000019454052 210250442 /nfs/dbraw/zinc/25/04/42/210250442.db2.gz YVABDOVTZYNMIR-QGZVFWFLSA-N 1 1 390.491 3.125 40 0 GGABMO CC(=O)N1CCC(c2ncc3c(n2)CC[N@H+]([C@@H](C)Cc2ccc(F)cc2)C3)CC1 ZINC000019456791 210250162 /nfs/dbraw/zinc/25/01/62/210250162.db2.gz GVGUGNOSUKBDNK-INIZCTEOSA-N 1 1 396.510 3.331 40 0 GGABMO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@H]2N ZINC000019450011 210249016 /nfs/dbraw/zinc/24/90/16/210249016.db2.gz XJFHNPBCUIAJSU-WMTXJRDZSA-N 1 1 377.532 3.276 40 0 GGABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@H]2N ZINC000019450011 210249018 /nfs/dbraw/zinc/24/90/18/210249018.db2.gz XJFHNPBCUIAJSU-WMTXJRDZSA-N 1 1 377.532 3.276 40 0 GGABMO CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)CCC3CCCC3)[nH]c(=O)c2C1 ZINC000019448232 210248734 /nfs/dbraw/zinc/24/87/34/210248734.db2.gz LKUWFXVSYNSJQF-IBGZPJMESA-N 1 1 386.540 3.170 40 0 GGABMO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000019404178 210248361 /nfs/dbraw/zinc/24/83/61/210248361.db2.gz HUGUKMFBNRUACV-FQEVSTJZSA-N 1 1 396.539 3.012 40 0 GGABMO O=C1c2cccc3c2N(CC3)CCN1CC[N@@H+](Cc1ccccn1)C1CCCC1 ZINC000019401385 210248387 /nfs/dbraw/zinc/24/83/87/210248387.db2.gz RJFUIXPJJSHIEK-UHFFFAOYSA-N 1 1 390.531 3.345 40 0 GGABMO O=c1cc([C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)nc(-c2ccccn2)[nH]1 ZINC000019402777 210247954 /nfs/dbraw/zinc/24/79/54/210247954.db2.gz KSUIXAOQQUJBDR-AWEZNQCLSA-N 1 1 382.414 3.490 40 0 GGABMO CC(C)Oc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3CC2)cc1 ZINC000019450678 210247976 /nfs/dbraw/zinc/24/79/76/210247976.db2.gz NOKPMCZKEVJZNN-UHFFFAOYSA-N 1 1 390.487 3.220 40 0 GGABMO CC(C)Oc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)cc1 ZINC000019450686 210247613 /nfs/dbraw/zinc/24/76/13/210247613.db2.gz YFYKUMDPQZCTMH-RJGXRXQPSA-N 1 1 380.532 3.336 40 0 GGABMO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)no1 ZINC000019371286 210247162 /nfs/dbraw/zinc/24/71/62/210247162.db2.gz HWFPZEOLZVDUAA-FQEVSTJZSA-N 1 1 390.487 3.422 40 0 GGABMO O=C1CCCN1c1ccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2C(=O)N3)cc1 ZINC000019375240 210246626 /nfs/dbraw/zinc/24/66/26/210246626.db2.gz NZKUPYGJFPBIMJ-XMMPIXPASA-N 1 1 389.499 3.134 40 0 GGABMO O=C(C[NH+]1CCCCC1)N1CCC[C@@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000019376439 210246424 /nfs/dbraw/zinc/24/64/24/210246424.db2.gz URTMBKDDJZTEIY-GOSISDBHSA-N 1 1 391.475 3.434 40 0 GGABMO O=C(NC1CC1)c1cc([C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)no1 ZINC000019376081 210246024 /nfs/dbraw/zinc/24/60/24/210246024.db2.gz FCEZSXNVQLRORY-INIZCTEOSA-N 1 1 376.460 3.495 40 0 GGABMO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000019371980 210246091 /nfs/dbraw/zinc/24/60/91/210246091.db2.gz DYUVCZBPXIXLLP-IBGZPJMESA-N 1 1 376.460 3.379 40 0 GGABMO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)no1 ZINC000019371284 210245906 /nfs/dbraw/zinc/24/59/06/210245906.db2.gz HWFPZEOLZVDUAA-HXUWFJFHSA-N 1 1 390.487 3.422 40 0 GGABMO O=C(NC1CC1)c1cc([C@@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)no1 ZINC000019376080 210245447 /nfs/dbraw/zinc/24/54/47/210245447.db2.gz FCEZSXNVQLRORY-MRXNPFEDSA-N 1 1 376.460 3.495 40 0 GGABMO Cc1nccc(-c2cccc(-c3noc(C[N@@H+]4CCCC[C@@H]4CCO)n3)c2)n1 ZINC000019287599 210238667 /nfs/dbraw/zinc/23/86/67/210238667.db2.gz KFKDPCLHFUXQHG-GOSISDBHSA-N 1 1 379.464 3.239 40 0 GGABMO Cc1nccc(-c2cccc(-c3noc(C[N@H+]4CCCC[C@@H]4CCO)n3)c2)n1 ZINC000019287599 210238671 /nfs/dbraw/zinc/23/86/71/210238671.db2.gz KFKDPCLHFUXQHG-GOSISDBHSA-N 1 1 379.464 3.239 40 0 GGABMO Cc1[nH+]ccn1CCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 ZINC000019288146 210237366 /nfs/dbraw/zinc/23/73/66/210237366.db2.gz MTZQOWAOUXSSOI-DZGCQCFKSA-N 1 1 398.433 3.152 40 0 GGABMO Cc1nc2ccccc2n1[C@H](C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000019286682 210236879 /nfs/dbraw/zinc/23/68/79/210236879.db2.gz RFJLACDFRWLOSO-QGZVFWFLSA-N 1 1 392.503 3.054 40 0 GGABMO Cc1cccnc1[C@@H](Cc1ccsc1)[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000019237660 210236312 /nfs/dbraw/zinc/23/63/12/210236312.db2.gz NKDQJIKJTYDXCG-LJQANCHMSA-N 1 1 395.532 3.152 40 0 GGABMO Cc1cnn(CCC(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@@H+]3C)c1 ZINC000019240004 210234725 /nfs/dbraw/zinc/23/47/25/210234725.db2.gz NHAYMQCCFYBFJI-MQSCRBSSSA-N 1 1 380.536 3.451 40 0 GGABMO COc1ccc(C[N@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)c(C)c1C ZINC000019240312 210234671 /nfs/dbraw/zinc/23/46/71/210234671.db2.gz SJMTYCPJCZOZPW-UHFFFAOYSA-N 1 1 383.517 3.450 40 0 GGABMO COc1ccc(C[N@@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)c(C)c1C ZINC000019240312 210234674 /nfs/dbraw/zinc/23/46/74/210234674.db2.gz SJMTYCPJCZOZPW-UHFFFAOYSA-N 1 1 383.517 3.450 40 0 GGABMO CC(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3CCOc3cccc(C)c3)ncc2C1 ZINC000019235197 210233717 /nfs/dbraw/zinc/23/37/17/210233717.db2.gz CVOSXCFDVVVCOJ-JOCHJYFZSA-N 1 1 394.519 3.296 40 0 GGABMO CC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3CCOc3cccc(C)c3)ncc2C1 ZINC000019235197 210233720 /nfs/dbraw/zinc/23/37/20/210233720.db2.gz CVOSXCFDVVVCOJ-JOCHJYFZSA-N 1 1 394.519 3.296 40 0 GGABMO COc1ccccc1-c1nnc2n1[C@H]1C[N@H+](Cc3cccc(C)n3)C[C@H]1CC2 ZINC000019236338 210233342 /nfs/dbraw/zinc/23/33/42/210233342.db2.gz YMZIAMPPBKTYLG-APWZRJJASA-N 1 1 375.476 3.276 40 0 GGABMO Cc1noc(C)c1CC(=O)N1CC[NH+](CCCOc2cccc(C)c2C)CC1 ZINC000019235718 210232564 /nfs/dbraw/zinc/23/25/64/210232564.db2.gz ZWOPXCGFMVXHBL-UHFFFAOYSA-N 1 1 385.508 3.064 40 0 GGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3CCOc3c(C)cccc3C)ncc2C1 ZINC000019236081 210232259 /nfs/dbraw/zinc/23/22/59/210232259.db2.gz OCXARIMSBJXFQO-NRFANRHFSA-N 1 1 394.519 3.214 40 0 GGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+]3CCOc3c(C)cccc3C)ncc2C1 ZINC000019236081 210232262 /nfs/dbraw/zinc/23/22/62/210232262.db2.gz OCXARIMSBJXFQO-NRFANRHFSA-N 1 1 394.519 3.214 40 0 GGABMO Cc1ccc(-c2n[nH]c(C3CC[NH+](CC(=O)NCc4ccccc4)CC3)n2)cc1 ZINC000019212992 210231820 /nfs/dbraw/zinc/23/18/20/210231820.db2.gz XAFMSGLXNBOJDH-UHFFFAOYSA-N 1 1 389.503 3.276 40 0 GGABMO CC(=O)NCCn1nc([C@@H]2CC[N@@H+](Cc3ccc(C)c(C)c3)C2)c2cccnc21 ZINC000019213937 210231078 /nfs/dbraw/zinc/23/10/78/210231078.db2.gz IAANZMVFJJGGEP-HXUWFJFHSA-N 1 1 391.519 3.174 40 0 GGABMO Cc1ccc([C@@H](C)C(=O)N2CCc3nc([C@@H]4CCC[N@@H+](C)C4)ncc3C2)cc1 ZINC000019136141 210228854 /nfs/dbraw/zinc/22/88/54/210228854.db2.gz BXZHSGXQEOCDQC-IEBWSBKVSA-N 1 1 378.520 3.283 40 0 GGABMO Cc1cc(-c2cn(C)nc2[C@H]2CCCN2C(=O)Cn2cc[nH+]c2C(C)C)on1 ZINC000019121499 210227511 /nfs/dbraw/zinc/22/75/11/210227511.db2.gz GGIYFIYIPOITDG-MRXNPFEDSA-N 1 1 382.468 3.067 40 0 GGABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4cc5c(cc4Cl)OCO5)C3)cc(N)n2n1 ZINC000019129224 210227232 /nfs/dbraw/zinc/22/72/32/210227232.db2.gz VCSGCMZJYIFXQY-ZDUSSCGKSA-N 1 1 399.882 3.382 40 0 GGABMO Cc1ccc([C@H](O)C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)c(C)c1 ZINC000019132520 210227117 /nfs/dbraw/zinc/22/71/17/210227117.db2.gz IPZBKHXSWGRMCZ-CQSZACIVSA-N 1 1 386.443 3.029 40 0 GGABMO Cc1cc(-c2cn(C)nc2[C@@H]2CCCN2C(=O)Cn2cc[nH+]c2C(C)C)on1 ZINC000019121502 210227161 /nfs/dbraw/zinc/22/71/61/210227161.db2.gz GGIYFIYIPOITDG-INIZCTEOSA-N 1 1 382.468 3.067 40 0 GGABMO Cc1ccc(C)c([C@H](O)C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000019132144 210227172 /nfs/dbraw/zinc/22/71/72/210227172.db2.gz NIODQWNXVBNZJD-CQSZACIVSA-N 1 1 386.443 3.029 40 0 GGABMO CC(=O)N1CCC(c2ncc3c(n2)CC[N@H+](CCCc2ccccc2)C3)CC1 ZINC000019016862 210222395 /nfs/dbraw/zinc/22/23/95/210222395.db2.gz GJMMKHOGPCEAMB-UHFFFAOYSA-N 1 1 378.520 3.193 40 0 GGABMO CNc1ncc(C[N@H+]2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCCN3C(C)=O)cn1 ZINC000019017603 210222529 /nfs/dbraw/zinc/22/25/29/210222529.db2.gz FNZHZLFMRSFVDM-YPAWHYETSA-N 1 1 393.535 3.277 40 0 GGABMO O=C(C1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)C1 ZINC000019014671 210222300 /nfs/dbraw/zinc/22/23/00/210222300.db2.gz NFOAVLHAVCDNIW-QGZVFWFLSA-N 1 1 398.551 3.379 40 0 GGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)ncc2C1 ZINC000019018408 210221856 /nfs/dbraw/zinc/22/18/56/210221856.db2.gz DFNGQPPLYXDWAL-QGZVFWFLSA-N 1 1 384.911 3.414 40 0 GGABMO CC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@@H+](C)CCc2ccccn2)C1 ZINC000019016965 210221767 /nfs/dbraw/zinc/22/17/67/210221767.db2.gz RADRGAFDPRCEJV-GOSISDBHSA-N 1 1 391.519 3.358 40 0 GGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccc(Cl)c4)C3)ncc2C1 ZINC000019018394 210220975 /nfs/dbraw/zinc/22/09/75/210220975.db2.gz LLYFBCZNEDIFKC-QGZVFWFLSA-N 1 1 384.911 3.414 40 0 GGABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccs3)cc2Cl)CC1 ZINC000408628384 529777469 /nfs/dbraw/zinc/77/74/69/529777469.db2.gz SDUPZNYPHLEWKG-UHFFFAOYSA-N 1 1 394.953 3.280 40 0 GGABMO CCOc1cc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)ccc1OCC(N)=O ZINC000015836983 210172542 /nfs/dbraw/zinc/17/25/42/210172542.db2.gz LKLPEOFUTHCLNO-LJQANCHMSA-N 1 1 384.476 3.295 40 0 GGABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc(Br)s2)C1 ZINC000013669574 210075732 /nfs/dbraw/zinc/07/57/32/210075732.db2.gz DAOVIHDXYIGVMZ-TXEJJXNPSA-N 1 1 395.388 3.157 40 0 GGABMO Cc1cc(C[N@@H+]2CCC[C@@H](Cn3nnc4c3nc(C(C)C)[nH]c4=O)C2)cs1 ZINC000012471251 209963242 /nfs/dbraw/zinc/96/32/42/209963242.db2.gz BWNNOGBDNYUVNZ-CQSZACIVSA-N 1 1 386.525 3.332 40 0 GGABMO Cc1nc(-c2ccccc2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)NC(C)C)n1 ZINC000015672530 291128781 /nfs/dbraw/zinc/12/87/81/291128781.db2.gz QWEHTGQAJZLGEO-ZCNNSNEGSA-N 1 1 393.535 3.337 40 0 biogenic,in-vitro GGABMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCc2sccc2C1 ZINC000010036710 209321291 /nfs/dbraw/zinc/32/12/91/209321291.db2.gz VELFYCIATACGDC-QGZVFWFLSA-N 1 1 384.501 3.241 40 0 GGABMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCc2sccc2C1 ZINC000010036710 209321295 /nfs/dbraw/zinc/32/12/95/209321295.db2.gz VELFYCIATACGDC-QGZVFWFLSA-N 1 1 384.501 3.241 40 0 GGABMO Cc1cc(C)c2oc(=O)cc(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2c1 ZINC000036632748 209246015 /nfs/dbraw/zinc/24/60/15/209246015.db2.gz UXEGYJSAUDZRFM-FUHWJXTLSA-N 1 1 376.456 3.191 40 0 GGABMO Cc1cc(C)c2c(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)cc(=O)oc2c1 ZINC000036729351 209246260 /nfs/dbraw/zinc/24/62/60/209246260.db2.gz VEZJGYLSHJNESB-DLBZAZTESA-N 1 1 376.456 3.191 40 0 GGABMO COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)CC(C)(C)C)CCN3C(C)(C)C2)cc1 ZINC000253399272 209216727 /nfs/dbraw/zinc/21/67/27/209216727.db2.gz ITCYFEQKZSEUTF-LJQANCHMSA-N 1 1 387.568 3.238 40 0 biogenic,in-vitro GGABMO COC(=O)C1=CO[C@@H](C)[C@H]2C[N@@H+]3CCc4c5cc(OC)ccc5[nH]c4[C@@H]3C[C@H]12 ZINC000056871333 209214175 /nfs/dbraw/zinc/21/41/75/209214175.db2.gz DTDADHMBRZKXSC-IEGSVRCHSA-N 1 1 382.460 3.187 40 0 in-vitro GGABMO COC(=O)C1=CO[C@@H](C)[C@H]2C[N@H+]3CCc4c5cc(OC)ccc5[nH]c4[C@@H]3C[C@H]12 ZINC000056871333 209214178 /nfs/dbraw/zinc/21/41/78/209214178.db2.gz DTDADHMBRZKXSC-IEGSVRCHSA-N 1 1 382.460 3.187 40 0 in-vitro GGABMO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccc3c(c2)C[C@@H](C)O3)n1 ZINC000227170085 209188193 /nfs/dbraw/zinc/18/81/93/209188193.db2.gz GFXPYYOCXHYASD-NQIIRXRSSA-N 1 1 395.503 3.480 40 0 GGABMO CCOC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000028632086 209179999 /nfs/dbraw/zinc/17/99/99/209179999.db2.gz UNUKHAWJCVUVAK-HXUWFJFHSA-N 1 1 385.508 3.206 40 0 GGABMO COc1ccc(-c2cnc3n2C[C@@H]2C[N@H+](Cc4cccnc4OC)C[C@H]2C3)cc1 ZINC000306143808 212055538 /nfs/dbraw/zinc/05/55/38/212055538.db2.gz YNHLGPJMOVEZLT-MOPGFXCFSA-N 1 1 390.487 3.267 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)COCC[C@@H]3NC(=O)Cc2ccccc2)cc1 ZINC000306144700 212055213 /nfs/dbraw/zinc/05/52/13/212055213.db2.gz ZMNLKWUIJXDTHN-LADGPHEKSA-N 1 1 394.515 3.035 40 0 GGABMO COc1cccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccccn4)C2)OC3)c1 ZINC000306143709 212055271 /nfs/dbraw/zinc/05/52/71/212055271.db2.gz YKCGQUQMVGZMBW-JOCHJYFZSA-N 1 1 376.460 3.129 40 0 GGABMO CN1CC[N@H+](Cc2ccsc2)C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306144380 212054962 /nfs/dbraw/zinc/05/49/62/212054962.db2.gz ZDRPPTRGQKJMEW-LJQANCHMSA-N 1 1 381.549 3.485 40 0 GGABMO CN1CC[N@@H+](Cc2ccsc2)C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306144380 212054965 /nfs/dbraw/zinc/05/49/65/212054965.db2.gz ZDRPPTRGQKJMEW-LJQANCHMSA-N 1 1 381.549 3.485 40 0 GGABMO CC(C)n1cnc([C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306142164 212054443 /nfs/dbraw/zinc/05/44/43/212054443.db2.gz WRSFYILOUUUNEU-OFNKIYASSA-N 1 1 393.535 3.087 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306138199 212053338 /nfs/dbraw/zinc/05/33/38/212053338.db2.gz RSEMHSHYZTWLAL-RTWAWAEBSA-N 1 1 376.435 3.104 40 0 GGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccoc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306137317 212053214 /nfs/dbraw/zinc/05/32/14/212053214.db2.gz QSPFZTCTYCSCOY-KNQAVFIVSA-N 1 1 382.508 3.285 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306138199 212053333 /nfs/dbraw/zinc/05/33/33/212053333.db2.gz RSEMHSHYZTWLAL-RTWAWAEBSA-N 1 1 376.435 3.104 40 0 GGABMO CC(C)C[N@H+]1CCO[C@@]2(CCCC[C@H]2NC(=O)C2=NO[C@H](c3ccccc3)C2)C1 ZINC000306139097 212052869 /nfs/dbraw/zinc/05/28/69/212052869.db2.gz SPFOGQUHCDVFME-XJUOHMSHSA-N 1 1 399.535 3.290 40 0 GGABMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)s1 ZINC000306138979 212052569 /nfs/dbraw/zinc/05/25/69/212052569.db2.gz SMEWWWIUIAYCSY-QGZVFWFLSA-N 1 1 397.548 3.315 40 0 GGABMO CN1CC[N@H+](Cc2cccs2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306140414 212052431 /nfs/dbraw/zinc/05/24/31/212052431.db2.gz UTDVNASMMIERIM-HXUWFJFHSA-N 1 1 390.516 3.342 40 0 GGABMO CN1CC[N@@H+](Cc2cccs2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306140414 212052436 /nfs/dbraw/zinc/05/24/36/212052436.db2.gz UTDVNASMMIERIM-HXUWFJFHSA-N 1 1 390.516 3.342 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2N1Cc1ccccn1 ZINC000306136064 212051912 /nfs/dbraw/zinc/05/19/12/212051912.db2.gz PIDGHDGNJNXGFV-NHCUHLMSSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2N1Cc1ccccn1 ZINC000306136064 212051913 /nfs/dbraw/zinc/05/19/13/212051913.db2.gz PIDGHDGNJNXGFV-NHCUHLMSSA-N 1 1 376.435 3.104 40 0 GGABMO COc1cccc(NC(=O)c2nc(N3CCCC3)nc3c2C[N@@H+](C(C)C)CC3)c1 ZINC000306133637 212051991 /nfs/dbraw/zinc/05/19/91/212051991.db2.gz MRWJQQWPDBVJIB-UHFFFAOYSA-N 1 1 395.507 3.104 40 0 GGABMO COc1cccc(NC(=O)c2nc(N3CCCC3)nc3c2C[N@H+](C(C)C)CC3)c1 ZINC000306133637 212051995 /nfs/dbraw/zinc/05/19/95/212051995.db2.gz MRWJQQWPDBVJIB-UHFFFAOYSA-N 1 1 395.507 3.104 40 0 GGABMO Cc1ncsc1C[N@H+]1CCN(C)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306134588 212051806 /nfs/dbraw/zinc/05/18/06/212051806.db2.gz NSTGRKVSVIYJFS-GOSISDBHSA-N 1 1 396.564 3.188 40 0 GGABMO Cc1ncsc1C[N@@H+]1CCN(C)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306134588 212051807 /nfs/dbraw/zinc/05/18/07/212051807.db2.gz NSTGRKVSVIYJFS-GOSISDBHSA-N 1 1 396.564 3.188 40 0 GGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3cccnc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136109 212051855 /nfs/dbraw/zinc/05/18/55/212051855.db2.gz PJNLVGDXWMRPSK-NZQKXSOJSA-N 1 1 393.535 3.087 40 0 GGABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccco4)C[C@H]32)cc1 ZINC000306135357 212051347 /nfs/dbraw/zinc/05/13/47/212051347.db2.gz OONQSOFKAIBQKH-NHCUHLMSSA-N 1 1 377.444 3.171 40 0 GGABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccco4)C[C@H]32)cc1 ZINC000306135357 212051350 /nfs/dbraw/zinc/05/13/50/212051350.db2.gz OONQSOFKAIBQKH-NHCUHLMSSA-N 1 1 377.444 3.171 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2N1Cc1ccccn1 ZINC000306136063 212051407 /nfs/dbraw/zinc/05/14/07/212051407.db2.gz PIDGHDGNJNXGFV-LEWJYISDSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2N1Cc1ccccn1 ZINC000306136063 212051410 /nfs/dbraw/zinc/05/14/10/212051410.db2.gz PIDGHDGNJNXGFV-LEWJYISDSA-N 1 1 376.435 3.104 40 0 GGABMO Cc1nc(COCC[C@@H]2C[N@@H+](CC3CCOCC3)Cc3ccnn32)cs1 ZINC000306133625 212051279 /nfs/dbraw/zinc/05/12/79/212051279.db2.gz MRHPENYTSGZOJK-LJQANCHMSA-N 1 1 376.526 3.038 40 0 GGABMO CN1CCN(Cc2ccncc2)C[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306134306 212051008 /nfs/dbraw/zinc/05/10/08/212051008.db2.gz NIQVBDJEHVTRDB-JOCHJYFZSA-N 1 1 384.487 3.280 40 0 GGABMO CN1CC[N@H+](Cc2ccncc2)C[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306134306 212051011 /nfs/dbraw/zinc/05/10/11/212051011.db2.gz NIQVBDJEHVTRDB-JOCHJYFZSA-N 1 1 384.487 3.280 40 0 GGABMO CN1CC[N@@H+](Cc2ccncc2)C[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306134306 212051012 /nfs/dbraw/zinc/05/10/12/212051012.db2.gz NIQVBDJEHVTRDB-JOCHJYFZSA-N 1 1 384.487 3.280 40 0 GGABMO Cc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[C@H](N4CCOCC4)C[C@@H]23)no1 ZINC000306134130 212051062 /nfs/dbraw/zinc/05/10/62/212051062.db2.gz NEAZVQYXKWMKJJ-ZRBLBEILSA-N 1 1 381.520 3.380 40 0 GGABMO Cc1cc(CN2CC[C@]3(c4ccccc4)CC[C@H]([NH+]4CCOCC4)C[C@@H]23)no1 ZINC000306134130 212051066 /nfs/dbraw/zinc/05/10/66/212051066.db2.gz NEAZVQYXKWMKJJ-ZRBLBEILSA-N 1 1 381.520 3.380 40 0 GGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3cccnc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136111 212051116 /nfs/dbraw/zinc/05/11/16/212051116.db2.gz PJNLVGDXWMRPSK-REWPJTCUSA-N 1 1 393.535 3.087 40 0 GGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccccn3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306135492 212050785 /nfs/dbraw/zinc/05/07/85/212050785.db2.gz OSRMFUITWKGIJI-OFNKIYASSA-N 1 1 393.535 3.087 40 0 GGABMO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)s1 ZINC000306136726 212050799 /nfs/dbraw/zinc/05/07/99/212050799.db2.gz QBBAXJIIJFLMOK-UXHICEINSA-N 1 1 378.501 3.335 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2N1Cc1ccccn1 ZINC000306136066 212050728 /nfs/dbraw/zinc/05/07/28/212050728.db2.gz PIDGHDGNJNXGFV-SFTDATJTSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2N1Cc1ccccn1 ZINC000306136066 212050730 /nfs/dbraw/zinc/05/07/30/212050730.db2.gz PIDGHDGNJNXGFV-SFTDATJTSA-N 1 1 376.435 3.104 40 0 GGABMO Cc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[C@@H](N4CCOCC4)C[C@@H]23)no1 ZINC000306134129 212050559 /nfs/dbraw/zinc/05/05/59/212050559.db2.gz NEAZVQYXKWMKJJ-ZLNRFVROSA-N 1 1 381.520 3.380 40 0 GGABMO Cc1cc(CN2CC[C@]3(c4ccccc4)CC[C@@H]([NH+]4CCOCC4)C[C@@H]23)no1 ZINC000306134129 212050564 /nfs/dbraw/zinc/05/05/64/212050564.db2.gz NEAZVQYXKWMKJJ-ZLNRFVROSA-N 1 1 381.520 3.380 40 0 GGABMO CN1CC2(C1)C[N@@H+](Cc1ccco1)C[C@]21CCCN(C(=O)c2ccsc2)CC1 ZINC000306137904 212053891 /nfs/dbraw/zinc/05/38/91/212053891.db2.gz RJTOLNPUUHYWQH-OAQYLSRUSA-N 1 1 399.560 3.401 40 0 GGABMO C[NH+]1CC2(C1)CN(Cc1ccco1)C[C@]21CCCN(C(=O)c2ccsc2)CC1 ZINC000306137904 212053894 /nfs/dbraw/zinc/05/38/94/212053894.db2.gz RJTOLNPUUHYWQH-OAQYLSRUSA-N 1 1 399.560 3.401 40 0 GGABMO Cc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)s1 ZINC000306141065 212053960 /nfs/dbraw/zinc/05/39/60/212053960.db2.gz VKNXKYZFYSPAKG-JKSUJKDBSA-N 1 1 393.516 3.205 40 0 GGABMO Cc1cccc(C(=O)N2CC3(C2)C[C@H](COCc2ccncc2)CC[N@@H+]3C)c1 ZINC000306129234 212047214 /nfs/dbraw/zinc/04/72/14/212047214.db2.gz HYBBLLNVCPWKCX-HXUWFJFHSA-N 1 1 379.504 3.143 40 0 GGABMO CN1CC[N@@H+](Cc2ccsc2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306128505 212046626 /nfs/dbraw/zinc/04/66/26/212046626.db2.gz HCJWQVSIIYNZIO-HXUWFJFHSA-N 1 1 390.516 3.342 40 0 GGABMO Cc1ccsc1CN1CCN(C2=NO[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000306130940 212049699 /nfs/dbraw/zinc/04/96/99/212049699.db2.gz JSXAJCKQUBLNDB-VQTJNVASSA-N 1 1 396.560 3.018 40 0 GGABMO Cc1cc(CN2CCC[C@]3(C[N@H+](CC4CCCC4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306131870 212049744 /nfs/dbraw/zinc/04/97/44/212049744.db2.gz KRTGUZXLMBXANI-FQEVSTJZSA-N 1 1 394.510 3.369 40 0 GGABMO Cc1cc(CN2CCC[C@]3(C[N@@H+](CC4CCCC4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306131870 212049747 /nfs/dbraw/zinc/04/97/47/212049747.db2.gz KRTGUZXLMBXANI-FQEVSTJZSA-N 1 1 394.510 3.369 40 0 GGABMO CC(C)N1CCC[C@]2(C[N@@H+](Cc3nccs3)C[C@@H]2c2nccs2)C1=O ZINC000306132071 212049399 /nfs/dbraw/zinc/04/93/99/212049399.db2.gz KXFFESTZQXEGAG-RDTXWAMCSA-N 1 1 376.551 3.216 40 0 GGABMO CC(C)N1CCC[C@@]2(C[N@@H+](Cc3nccs3)C[C@H]2c2nccs2)C1=O ZINC000306132070 212048998 /nfs/dbraw/zinc/04/89/98/212048998.db2.gz KXFFESTZQXEGAG-KSSFIOAISA-N 1 1 376.551 3.216 40 0 GGABMO COc1ncccc1C[N@H+]1CC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306130395 212048075 /nfs/dbraw/zinc/04/80/75/212048075.db2.gz JEVXCZNBDAKTNQ-SFHVURJKSA-N 1 1 386.459 3.184 40 0 GGABMO Cc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3CCNC(=O)C2CC(F)(F)C2)c1 ZINC000306128018 212047626 /nfs/dbraw/zinc/04/76/26/212047626.db2.gz GNSXMXICSSCTRI-SFHVURJKSA-N 1 1 378.463 3.138 40 0 GGABMO Cc1ccsc1C[N@@H+]1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306128699 212047374 /nfs/dbraw/zinc/04/73/74/212047374.db2.gz HIOHUJCSADKRCD-CVEARBPZSA-N 1 1 393.516 3.205 40 0 GGABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306126402 212044321 /nfs/dbraw/zinc/04/43/21/212044321.db2.gz DUPATOILNJWJPP-KBPBESRZSA-N 1 1 397.479 3.035 40 0 GGABMO O=C(c1ccsc1)N1C[C@@]2(CC[N@@H+](Cc3cccnc3)C2)c2ncccc21 ZINC000306130291 212046496 /nfs/dbraw/zinc/04/64/96/212046496.db2.gz JBOBYUPAWSRYKB-NRFANRHFSA-N 1 1 376.485 3.342 40 0 GGABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)n1 ZINC000306129809 212046510 /nfs/dbraw/zinc/04/65/10/212046510.db2.gz INNIFPVWTRHGKB-GOSISDBHSA-N 1 1 376.508 3.413 40 0 GGABMO CN1CC[N@H+](Cc2ccsc2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306128505 212046623 /nfs/dbraw/zinc/04/66/23/212046623.db2.gz HCJWQVSIIYNZIO-HXUWFJFHSA-N 1 1 390.516 3.342 40 0 GGABMO COc1ncccc1C[N@H+]1CC[C@]2(C1)Cn1c(-c3ccsc3)cnc1CO2 ZINC000306127145 212045162 /nfs/dbraw/zinc/04/51/62/212045162.db2.gz FPLYYOCQIZQVDQ-FQEVSTJZSA-N 1 1 382.489 3.190 40 0 GGABMO COc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccncc4)C2)OC3)cc1 ZINC000306127109 212044998 /nfs/dbraw/zinc/04/49/98/212044998.db2.gz FOPXSNKLGHAXFF-JOCHJYFZSA-N 1 1 376.460 3.129 40 0 GGABMO Cc1cc(C)cc(C[N@H+]2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306124877 212044902 /nfs/dbraw/zinc/04/49/02/212044902.db2.gz CBFFUPDRXUBHRK-HXUWFJFHSA-N 1 1 391.519 3.172 40 0 GGABMO c1csc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306125892 212044650 /nfs/dbraw/zinc/04/46/50/212044650.db2.gz DEUJVYWCXGFAOH-MRXNPFEDSA-N 1 1 383.521 3.007 40 0 GGABMO O=C(NC1CCCCC1)c1nnc2n1CC[C@H]1C[N@H+](Cc3cccs3)C[C@H]21 ZINC000306123550 212044424 /nfs/dbraw/zinc/04/44/24/212044424.db2.gz APXAUTMTNCXQES-YOEHRIQHSA-N 1 1 385.537 3.021 40 0 GGABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000257314029 212024367 /nfs/dbraw/zinc/02/43/67/212024367.db2.gz UVBSCIWRNOWRQT-OAHLLOKOSA-N 1 1 382.493 3.404 40 0 GGABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ncccn1)[C@H]2Cc1ccccc1 ZINC000257319502 212023504 /nfs/dbraw/zinc/02/35/04/212023504.db2.gz VSVPIFGRZVUJPR-PYRYHMDCSA-N 1 1 376.504 3.175 40 0 GGABMO CCNC(=O)NCCCC[N@@H+]1CCc2onc(Nc3cccc(F)c3)c2C1 ZINC000257306756 212022873 /nfs/dbraw/zinc/02/28/73/212022873.db2.gz SVSAWFDXYDYBQA-UHFFFAOYSA-N 1 1 375.448 3.015 40 0 GGABMO CCNC(=O)NCCCC[N@H+]1CCc2onc(Nc3cccc(F)c3)c2C1 ZINC000257306756 212022876 /nfs/dbraw/zinc/02/28/76/212022876.db2.gz SVSAWFDXYDYBQA-UHFFFAOYSA-N 1 1 375.448 3.015 40 0 GGABMO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@H](OC)C2)cc1 ZINC000257308375 212022738 /nfs/dbraw/zinc/02/27/38/212022738.db2.gz TWMVYCLDQYGQPN-TZIWHRDSSA-N 1 1 376.497 3.074 40 0 GGABMO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@H](OC)C2)cc1 ZINC000257308375 212022742 /nfs/dbraw/zinc/02/27/42/212022742.db2.gz TWMVYCLDQYGQPN-TZIWHRDSSA-N 1 1 376.497 3.074 40 0 GGABMO Cc1cc(N2CCO[C@H](c3cccc(Nc4ccc(F)cn4)n3)C2)nc(C)[nH+]1 ZINC000257309650 212021895 /nfs/dbraw/zinc/02/18/95/212021895.db2.gz UBUUORZNEBRTCX-KRWDZBQOSA-N 1 1 380.427 3.344 40 0 GGABMO COc1ncc(C[NH+]2CCC(Cc3cc(-c4c(C)noc4C)ncn3)CC2)cn1 ZINC000257310702 212021903 /nfs/dbraw/zinc/02/19/03/212021903.db2.gz UGEDJMRXZXSKCA-UHFFFAOYSA-N 1 1 394.479 3.002 40 0 GGABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000257298457 212019339 /nfs/dbraw/zinc/01/93/39/212019339.db2.gz RLRGBYOOJQZELG-QHCPKHFHSA-N 1 1 378.520 3.091 40 0 GGABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257299422 212019117 /nfs/dbraw/zinc/01/91/17/212019117.db2.gz RPZYISXAGGJXFQ-SFHVURJKSA-N 1 1 384.499 3.289 40 0 GGABMO COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1cccnc1)C[N@H+]2Cc1ccc(Cl)cc1 ZINC000257288926 212018470 /nfs/dbraw/zinc/01/84/70/212018470.db2.gz PWGUTGVJANEEBH-NJDAHSKKSA-N 1 1 399.922 3.198 40 0 GGABMO Cc1[nH+]ccn1CCC(=O)NCc1cccc(-c2n[nH]cc2-c2ccncc2)c1 ZINC000257294796 212017899 /nfs/dbraw/zinc/01/78/99/212017899.db2.gz QVTVLGHIPCQQID-UHFFFAOYSA-N 1 1 386.459 3.350 40 0 GGABMO O=C1N(CCc2ccccc2)CC=CC[C@]12C[N@H+](Cc1ccc(F)cc1)CCO2 ZINC000257282993 212016656 /nfs/dbraw/zinc/01/66/56/212016656.db2.gz OWEWQLGJQDKRKX-DEOSSOPVSA-N 1 1 394.490 3.428 40 0 GGABMO O=C1N(CCc2ccccc2)CC=CC[C@]12C[N@@H+](Cc1ccc(F)cc1)CCO2 ZINC000257282993 212016660 /nfs/dbraw/zinc/01/66/60/212016660.db2.gz OWEWQLGJQDKRKX-DEOSSOPVSA-N 1 1 394.490 3.428 40 0 GGABMO Cc1nccc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@H+]3C)n1 ZINC000257282222 212015585 /nfs/dbraw/zinc/01/55/85/212015585.db2.gz OSYCEILEAKIXIT-WGNYYXNJSA-N 1 1 390.531 3.484 40 0 GGABMO COc1cccc2c1OC1(CC[NH+](Cc3cnccn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257270626 212014590 /nfs/dbraw/zinc/01/45/90/212014590.db2.gz MUYZIBQMTJMNMW-AZUAARDMSA-N 1 1 381.476 3.380 40 0 GGABMO COc1cccc2c1OC1(CC[NH+](Cc3cn(C)cn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257268320 212014197 /nfs/dbraw/zinc/01/41/97/212014197.db2.gz MLDKBWBYIIBHJA-AZUAARDMSA-N 1 1 383.492 3.324 40 0 GGABMO CNC(=O)c1sc2nc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)ccc2c1N ZINC000257245041 212011046 /nfs/dbraw/zinc/01/10/46/212011046.db2.gz INWQPZLPUJHZNM-INIZCTEOSA-N 1 1 381.505 3.360 40 0 GGABMO CNC(=O)c1sc2nc([C@@H]3CCCC[N@H+]3Cc3cccnc3)ccc2c1N ZINC000257245041 212011050 /nfs/dbraw/zinc/01/10/50/212011050.db2.gz INWQPZLPUJHZNM-INIZCTEOSA-N 1 1 381.505 3.360 40 0 GGABMO COc1cccc(-c2cc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)[N@H+]4C)on2)c1 ZINC000257238772 212009362 /nfs/dbraw/zinc/00/93/62/212009362.db2.gz HMMBKDFLGOBWKL-KJLVNVKXSA-N 1 1 381.476 3.438 40 0 GGABMO Cc1ccc(C[N@@H+]2CC[C@@H](c3nc(C)c(CC(=O)N(C)C)c(C)n3)C2)cc1C ZINC000257234730 212009229 /nfs/dbraw/zinc/00/92/29/212009229.db2.gz GUWHTCBWFPRRJE-HXUWFJFHSA-N 1 1 380.536 3.330 40 0 GGABMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)cc(C(=O)N(C)C)n1 ZINC000257230180 212007632 /nfs/dbraw/zinc/00/76/32/212007632.db2.gz GBEPDYBYWZKSBL-QGZVFWFLSA-N 1 1 391.519 3.423 40 0 GGABMO NC(=O)c1cccc(-c2cccc([C@H]3C[N@@H+](CCc4ccccc4)CCO3)n2)c1 ZINC000257224761 212006416 /nfs/dbraw/zinc/00/64/16/212006416.db2.gz FDGVHOMCXSULJU-HSZRJFAPSA-N 1 1 387.483 3.464 40 0 GGABMO CNC(=O)c1sc2nc([C@]3(C)CCC[N@@H+](Cc4cccnc4)C3)ccc2c1N ZINC000257222520 212005902 /nfs/dbraw/zinc/00/59/02/212005902.db2.gz DTPHUXKZCNDNJE-OAQYLSRUSA-N 1 1 395.532 3.187 40 0 GGABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@@H+](CC1CCCCC1)CC2 ZINC000257223889 212005452 /nfs/dbraw/zinc/00/54/52/212005452.db2.gz DZJKTMYVSNXSRH-WXFUMESZSA-N 1 1 397.563 3.367 40 0 GGABMO Cc1cc(Nc2cc(C[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)nc(C)n2)n[nH]1 ZINC000257204004 212002729 /nfs/dbraw/zinc/00/27/29/212002729.db2.gz ASPRZIBYHBOCDJ-KRWDZBQOSA-N 1 1 377.496 3.410 40 0 GGABMO Cc1nc([C@@H]2CC[N@@H+](CC3CC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000257201940 212001842 /nfs/dbraw/zinc/00/18/42/212001842.db2.gz AJSBCVNBFGKEGQ-LJQANCHMSA-N 1 1 376.504 3.464 40 0 GGABMO C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@H](C[NH+]1CCOCC1)C2=O ZINC000245240245 211978540 /nfs/dbraw/zinc/97/85/40/211978540.db2.gz OXMJWUNKEJJKIF-PHBNJWOYSA-N 1 1 387.564 3.438 40 0 GGABMO NC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225584998 211909388 /nfs/dbraw/zinc/90/93/88/211909388.db2.gz YMVLTESXUMFSEP-UHFFFAOYSA-N 1 1 389.858 3.429 40 0 GGABMO CC(C)C[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019446909 211723904 /nfs/dbraw/zinc/72/39/04/211723904.db2.gz NISUJDPYCMMLTI-OAQYLSRUSA-N 1 1 394.523 3.219 40 0 GGABMO C[C@H](CNC(=O)/C=C/c1cccc(Br)c1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000110513168 211655304 /nfs/dbraw/zinc/65/53/04/211655304.db2.gz SZAZNLLFHXIZJT-GCKSTJDKSA-N 1 1 381.314 3.076 40 0 GGABMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](c1ccc(OC)cc1)C(C)C)[nH]c2=O ZINC000049609480 211461047 /nfs/dbraw/zinc/46/10/47/211461047.db2.gz OTWLKDGCNROQPV-FQEVSTJZSA-N 1 1 395.459 3.205 40 0 GGABMO CCn1ncc(C[N@@H+]2CCc3c([nH]c4cc(-c5ccoc5C)nn4c3=O)C2)c1C ZINC000100182257 211383886 /nfs/dbraw/zinc/38/38/86/211383886.db2.gz QLCKMEZKKAVJAX-UHFFFAOYSA-N 1 1 392.463 3.086 40 0 GGABMO CCn1ncc(C[N@H+]2CCc3c([nH]c4cc(-c5ccoc5C)nn4c3=O)C2)c1C ZINC000100182257 211383890 /nfs/dbraw/zinc/38/38/90/211383890.db2.gz QLCKMEZKKAVJAX-UHFFFAOYSA-N 1 1 392.463 3.086 40 0 GGABMO COc1cccc2cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)oc21 ZINC000097255618 211361856 /nfs/dbraw/zinc/36/18/56/211361856.db2.gz RINZZURMLXCNBE-UHFFFAOYSA-N 1 1 380.444 3.204 40 0 GGABMO CCOC(=O)[C@H]1C[C@@]23C=C[C@@H]1C[C@@]21CC[N@@H+](C)[C@@H]3Cc2ccc(OC)c(O)c21 ZINC000096316427 211332833 /nfs/dbraw/zinc/33/28/33/211332833.db2.gz GQLLOIMJCNXLAN-QRTXUITFSA-N 1 1 383.488 3.044 40 0 biogenic,in-vitro GGABMO CN(C)c1nc2c(cc1C(=O)N1CCCC1)CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096260384 211327229 /nfs/dbraw/zinc/32/72/29/211327229.db2.gz PBXXCZQKTWSHGS-UHFFFAOYSA-N 1 1 396.510 3.124 40 0 GGABMO CC(C)Nc1nc2c(cc1C(=O)N(C)C)CC[N@@H+](CCc1ccccc1)CC2 ZINC000096260440 211327088 /nfs/dbraw/zinc/32/70/88/211327088.db2.gz QZOFFKIYUXBOHI-UHFFFAOYSA-N 1 1 380.536 3.247 40 0 GGABMO CCC[N@H+]1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccc(OC)cc1 ZINC000096261991 211326091 /nfs/dbraw/zinc/32/60/91/211326091.db2.gz ZFGPXERCKCIRTM-NRFANRHFSA-N 1 1 386.517 3.211 40 0 GGABMO O=S1(=O)c2ccccc2[C@@]2(CC[N@@H+](CC3CC3)C2)N1Cc1ccc(F)cc1 ZINC000096261956 211325845 /nfs/dbraw/zinc/32/58/45/211325845.db2.gz PUXLBQATTFYTJM-NRFANRHFSA-N 1 1 386.492 3.341 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)COCc2c(C)nc(NCC4CC4)nc23)cc1 ZINC000096244496 211325505 /nfs/dbraw/zinc/32/55/05/211325505.db2.gz FKPAZSOVEZBAHY-HSZRJFAPSA-N 1 1 394.519 3.289 40 0 GGABMO C[N@@H+](Cc1cccnc1)[C@@H]1COC2(C1)CCN(C(=O)NC1CCCCC1)CC2 ZINC000096220944 211319335 /nfs/dbraw/zinc/31/93/35/211319335.db2.gz HRFBHXUNXUHDAN-FQEVSTJZSA-N 1 1 386.540 3.179 40 0 GGABMO Cc1ccsc1C(=O)N1CCC2(C[C@@H]([N@@H+](C)Cc3cccnc3)CO2)CC1 ZINC000096220887 211318881 /nfs/dbraw/zinc/31/88/81/211318881.db2.gz HAQVLYRBCBXACK-GOSISDBHSA-N 1 1 385.533 3.347 40 0 GGABMO C[NH+]1CCN(C(=O)c2cc(-c3ccn(C4CCCC4)n3)n3ccccc23)CC1 ZINC000096154737 211311986 /nfs/dbraw/zinc/31/19/86/211311986.db2.gz OYBJNZTXZSQSGL-UHFFFAOYSA-N 1 1 377.492 3.306 40 0 GGABMO Cc1ccccc1C[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(C)[C@H]2CC1 ZINC000096145702 211310093 /nfs/dbraw/zinc/31/00/93/211310093.db2.gz SRWUODAFLTVDAS-OALUTQOASA-N 1 1 386.517 3.041 40 0 GGABMO COc1ccc(N(C)c2ccc3ccc(C(=O)N4CC[NH+](C)CC4)cn32)cc1 ZINC000096146218 211309308 /nfs/dbraw/zinc/30/93/08/211309308.db2.gz MCDUAKOUJWQYRN-UHFFFAOYSA-N 1 1 378.476 3.103 40 0 GGABMO COC(=O)CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 ZINC000096245441 211324600 /nfs/dbraw/zinc/32/46/00/211324600.db2.gz KSLALIXYNZTSHU-SZPZYZBQSA-N 1 1 392.499 3.197 40 0 GGABMO Cc1ccc(C[N@H+]2CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)cc1 ZINC000096226070 211321842 /nfs/dbraw/zinc/32/18/42/211321842.db2.gz IQNMKLNXKLPTBW-QFIPXVFZSA-N 1 1 381.451 3.171 40 0 GGABMO Cc1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)cc1 ZINC000096226071 211321867 /nfs/dbraw/zinc/32/18/67/211321867.db2.gz IQNMKLNXKLPTBW-JOCHJYFZSA-N 1 1 381.451 3.171 40 0 GGABMO O=C(NCc1cccnc1)N1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216363 211320364 /nfs/dbraw/zinc/32/03/64/211320364.db2.gz ROHFIBJGTHDEQY-HSZRJFAPSA-N 1 1 394.519 3.158 40 0 GGABMO CC[N@@H+](C)[C@H]1COC2(C1)CCN(S(=O)(=O)c1ccc(C(C)C)cc1)CC2 ZINC000096220815 211320438 /nfs/dbraw/zinc/32/04/38/211320438.db2.gz BLKFMZIDHJKUIY-GOSISDBHSA-N 1 1 380.554 3.074 40 0 GGABMO C[C@@H](CNC(=O)C1=NO[C@]2(CC[N@@H+](CCc3ccccc3)C2)C1)c1ccccc1 ZINC000096225766 211319904 /nfs/dbraw/zinc/31/99/04/211319904.db2.gz OKWHJJXAQGRZGH-YADARESESA-N 1 1 391.515 3.370 40 0 GGABMO O=C(c1ccc2c(c1)OCO2)N1CC[C@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096215799 211319442 /nfs/dbraw/zinc/31/94/42/211319442.db2.gz HJOIVXALMFSUBL-HXUWFJFHSA-N 1 1 385.489 3.000 40 0 GGABMO O=C(c1ccc2c(c1)OCO2)N1CC[C@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096215799 211319444 /nfs/dbraw/zinc/31/94/44/211319444.db2.gz HJOIVXALMFSUBL-HXUWFJFHSA-N 1 1 385.489 3.000 40 0 GGABMO O=C(c1ccc2c(c1)OCO2)N1CC[C@@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096215796 211319534 /nfs/dbraw/zinc/31/95/34/211319534.db2.gz HJOIVXALMFSUBL-FQEVSTJZSA-N 1 1 385.489 3.000 40 0 GGABMO O=C(c1ccc2c(c1)OCO2)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096215796 211319536 /nfs/dbraw/zinc/31/95/36/211319536.db2.gz HJOIVXALMFSUBL-FQEVSTJZSA-N 1 1 385.489 3.000 40 0 GGABMO C[C@H](CNC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1)c1ccccc1 ZINC000096225711 211319549 /nfs/dbraw/zinc/31/95/49/211319549.db2.gz MQJHYZSQUGVOFS-IERDGZPVSA-N 1 1 383.517 3.389 40 0 GGABMO C[C@H](CNC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1)c1ccccc1 ZINC000096225711 211319551 /nfs/dbraw/zinc/31/95/51/211319551.db2.gz MQJHYZSQUGVOFS-IERDGZPVSA-N 1 1 383.517 3.389 40 0 GGABMO Cc1cccc(NC(=O)N2CCC3(CC2)COCC[N@H+](Cc2cccn2C)C3)c1 ZINC000096093777 211301099 /nfs/dbraw/zinc/30/10/99/211301099.db2.gz YSZYDIUJJOSFBD-UHFFFAOYSA-N 1 1 396.535 3.480 40 0 GGABMO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]2C1 ZINC000096080826 211300539 /nfs/dbraw/zinc/30/05/39/211300539.db2.gz CEQGDAULWLZIPF-CALCHBBNSA-N 1 1 376.909 3.093 40 0 GGABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](CNc4ncccc4F)CO3)C2)s1 ZINC000096078455 211299222 /nfs/dbraw/zinc/29/92/22/211299222.db2.gz SXLKXNLKTONBJP-OXQOHEQNSA-N 1 1 391.512 3.310 40 0 GGABMO COc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)cc1 ZINC000096059252 211298307 /nfs/dbraw/zinc/29/83/07/211298307.db2.gz KYJSQPZATWCHKU-IBGZPJMESA-N 1 1 378.476 3.136 40 0 GGABMO COc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)cc1 ZINC000096059252 211298312 /nfs/dbraw/zinc/29/83/12/211298312.db2.gz KYJSQPZATWCHKU-IBGZPJMESA-N 1 1 378.476 3.136 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccc(C)n4)C3=O)C2)cc1 ZINC000096048798 211296297 /nfs/dbraw/zinc/29/62/97/211296297.db2.gz ZORFIQXUQRNJCK-QHCPKHFHSA-N 1 1 379.504 3.413 40 0 GGABMO CC(C)CCN1[C@@]2(CC[N@H+](Cc3cccnc3)C2)c2ccccc2S1(=O)=O ZINC000096143263 211308557 /nfs/dbraw/zinc/30/85/57/211308557.db2.gz COQMWNKWUWWYDW-OAQYLSRUSA-N 1 1 385.533 3.233 40 0 GGABMO CC(C)CCN1[C@@]2(CC[N@@H+](Cc3cccnc3)C2)c2ccccc2S1(=O)=O ZINC000096143263 211308559 /nfs/dbraw/zinc/30/85/59/211308559.db2.gz COQMWNKWUWWYDW-OAQYLSRUSA-N 1 1 385.533 3.233 40 0 GGABMO CC[N@H+]1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)c3ccccc3)CC[C@@H]12 ZINC000096145312 211308485 /nfs/dbraw/zinc/30/84/85/211308485.db2.gz XFSXSDTXWCGJKQ-NFBKMPQASA-N 1 1 392.503 3.037 40 0 GGABMO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCCC[C@H]1c1nnc2n1CC[N@H+](C)C2 ZINC000072373999 211103356 /nfs/dbraw/zinc/10/33/56/211103356.db2.gz GYBUYZTUCXQNDA-KRWDZBQOSA-N 1 1 396.470 3.020 40 0 GGABMO Cn1cc(C[N@H+]2CC[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 ZINC000072371564 211102349 /nfs/dbraw/zinc/10/23/49/211102349.db2.gz OKTHOIFFJQAKAG-MRXNPFEDSA-N 1 1 385.899 3.408 40 0 GGABMO Cn1cc(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cn1 ZINC000072371564 211102352 /nfs/dbraw/zinc/10/23/52/211102352.db2.gz OKTHOIFFJQAKAG-MRXNPFEDSA-N 1 1 385.899 3.408 40 0 GGABMO Cn1cc(C[N@H+]2CC[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cn1 ZINC000072371564 211102357 /nfs/dbraw/zinc/10/23/57/211102357.db2.gz OKTHOIFFJQAKAG-MRXNPFEDSA-N 1 1 385.899 3.408 40 0 GGABMO COc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](Cc3cnn(C)c3C)C2)[nH]n1 ZINC000072371458 211102553 /nfs/dbraw/zinc/10/25/53/211102553.db2.gz YDNHVNQCEFRJKX-QGZVFWFLSA-N 1 1 395.507 3.071 40 0 GGABMO COc1ccccc1OCCc1cc([C@@H]2CC[N@H+](Cc3cnn(C)c3C)C2)n[nH]1 ZINC000072371458 211102558 /nfs/dbraw/zinc/10/25/58/211102558.db2.gz YDNHVNQCEFRJKX-QGZVFWFLSA-N 1 1 395.507 3.071 40 0 GGABMO COc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](Cc3cnn(C)c3C)C2)n[nH]1 ZINC000072371458 211102566 /nfs/dbraw/zinc/10/25/66/211102566.db2.gz YDNHVNQCEFRJKX-QGZVFWFLSA-N 1 1 395.507 3.071 40 0 GGABMO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@@H+]1Cc1ncc[nH]1 ZINC000072370277 211102135 /nfs/dbraw/zinc/10/21/35/211102135.db2.gz XQFRMTHUORVGOA-HNNXBMFYSA-N 1 1 398.532 3.208 40 0 GGABMO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@H+]1Cc1ncc[nH]1 ZINC000072370277 211102136 /nfs/dbraw/zinc/10/21/36/211102136.db2.gz XQFRMTHUORVGOA-HNNXBMFYSA-N 1 1 398.532 3.208 40 0 GGABMO c1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCNC4)C2)cc(OC2CCCC2)c1 ZINC000072372127 211102155 /nfs/dbraw/zinc/10/21/55/211102155.db2.gz PWYWSNSOYPQDEA-SFHVURJKSA-N 1 1 381.524 3.082 40 0 GGABMO COc1cccc(Oc2nccnc2[C@@H]2CCC[N@H+](Cc3cncn3C)C2)c1 ZINC000072363149 211101978 /nfs/dbraw/zinc/10/19/78/211101978.db2.gz XXAWANLKYFJTPQ-MRXNPFEDSA-N 1 1 379.464 3.391 40 0 GGABMO COc1cccc(Oc2nccnc2[C@@H]2CCC[N@@H+](Cc3cncn3C)C2)c1 ZINC000072363149 211101982 /nfs/dbraw/zinc/10/19/82/211101982.db2.gz XXAWANLKYFJTPQ-MRXNPFEDSA-N 1 1 379.464 3.391 40 0 GGABMO COc1c(C)cccc1C[N@@H+]1CCc2nc([C@@H]3CCCN(C(C)=O)C3)ncc2C1 ZINC000072390918 211109809 /nfs/dbraw/zinc/10/98/09/211109809.db2.gz SVIPVTGKMDUKLQ-LJQANCHMSA-N 1 1 394.519 3.078 40 0 GGABMO COc1c(C)cccc1C[N@H+]1CCc2nc([C@@H]3CCCN(C(C)=O)C3)ncc2C1 ZINC000072390918 211109811 /nfs/dbraw/zinc/10/98/11/211109811.db2.gz SVIPVTGKMDUKLQ-LJQANCHMSA-N 1 1 394.519 3.078 40 0 GGABMO COc1cc(C)ccc1C[N@@H+]1CCc2nc([C@@H]3CCCN(C(C)=O)C3)ncc2C1 ZINC000072390916 211109236 /nfs/dbraw/zinc/10/92/36/211109236.db2.gz SSCIFIFVHVNGJY-LJQANCHMSA-N 1 1 394.519 3.078 40 0 GGABMO COc1cc(C)ccc1C[N@H+]1CCc2nc([C@@H]3CCCN(C(C)=O)C3)ncc2C1 ZINC000072390916 211109240 /nfs/dbraw/zinc/10/92/40/211109240.db2.gz SSCIFIFVHVNGJY-LJQANCHMSA-N 1 1 394.519 3.078 40 0 GGABMO Cc1nn(C)cc1C[N@H+]1CCC[C@H](c2nccnc2Oc2cccnc2C)C1 ZINC000072384040 211108633 /nfs/dbraw/zinc/10/86/33/211108633.db2.gz ZCPHCCAZGYQXRM-KRWDZBQOSA-N 1 1 378.480 3.394 40 0 GGABMO COc1ccc(Oc2cc(C)nc([C@@H]3CC[N@H+](Cc4cncn4C)C3)n2)cc1 ZINC000072384433 211108487 /nfs/dbraw/zinc/10/84/87/211108487.db2.gz OYMFGGDJGJVPNZ-MRXNPFEDSA-N 1 1 379.464 3.309 40 0 GGABMO COc1ccc(Oc2cc(C)nc([C@@H]3CC[N@@H+](Cc4cncn4C)C3)n2)cc1 ZINC000072384433 211108490 /nfs/dbraw/zinc/10/84/90/211108490.db2.gz OYMFGGDJGJVPNZ-MRXNPFEDSA-N 1 1 379.464 3.309 40 0 GGABMO CC(=O)N1CCC([N@H+]2CC[C@@H](c3nc(C)cc(Oc4ccccc4)n3)C2)CC1 ZINC000072384365 211108258 /nfs/dbraw/zinc/10/82/58/211108258.db2.gz XUBUJPRHWSSZEP-GOSISDBHSA-N 1 1 380.492 3.378 40 0 GGABMO COc1cccc(Oc2cc(C)nc([C@H]3CC[N@H+](Cc4cncn4C)C3)n2)c1 ZINC000072384432 211108349 /nfs/dbraw/zinc/10/83/49/211108349.db2.gz MBBRGIAMQNTLAH-INIZCTEOSA-N 1 1 379.464 3.309 40 0 GGABMO COc1cccc(Oc2cc(C)nc([C@H]3CC[N@@H+](Cc4cncn4C)C3)n2)c1 ZINC000072384432 211108353 /nfs/dbraw/zinc/10/83/53/211108353.db2.gz MBBRGIAMQNTLAH-INIZCTEOSA-N 1 1 379.464 3.309 40 0 GGABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000072379032 211107916 /nfs/dbraw/zinc/10/79/16/211107916.db2.gz SYMBOMWNQKEONG-KRWDZBQOSA-N 1 1 394.450 3.500 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCC4)[nH]n3)C2)cc1 ZINC000072380589 211108008 /nfs/dbraw/zinc/10/80/08/211108008.db2.gz YEOSZAOSLSIGQB-QGZVFWFLSA-N 1 1 382.508 3.470 40 0 GGABMO O=C(c1cc([C@H]2CCCC[N@@H+]2Cc2ccc3[nH]ccc3c2)[nH]n1)N1CCOCC1 ZINC000072380682 211106904 /nfs/dbraw/zinc/10/69/04/211106904.db2.gz RBEIKZBUXVCIMK-OAQYLSRUSA-N 1 1 393.491 3.091 40 0 GGABMO O=C(c1cc([C@H]2CCCC[N@H+]2Cc2ccc3[nH]ccc3c2)[nH]n1)N1CCOCC1 ZINC000072380682 211106905 /nfs/dbraw/zinc/10/69/05/211106905.db2.gz RBEIKZBUXVCIMK-OAQYLSRUSA-N 1 1 393.491 3.091 40 0 GGABMO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCC[N@@H+]2CC(=O)N2CCCC2)n1 ZINC000072376831 211105703 /nfs/dbraw/zinc/10/57/03/211105703.db2.gz HVILSLLDBHKHGY-SFHVURJKSA-N 1 1 383.471 3.014 40 0 GGABMO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCC[N@H+]2CC(=O)N2CCCC2)n1 ZINC000072376831 211105706 /nfs/dbraw/zinc/10/57/06/211105706.db2.gz HVILSLLDBHKHGY-SFHVURJKSA-N 1 1 383.471 3.014 40 0 GGABMO C[NH+]1CCC(Nc2[nH]nc3nc([C@@H]4CCCN4C(=O)C4CCCC4)ccc32)CC1 ZINC000072374525 211105601 /nfs/dbraw/zinc/10/56/01/211105601.db2.gz HWLKWLAPOMSGIN-IBGZPJMESA-N 1 1 396.539 3.318 40 0 GGABMO C[NH+]1CCC(Nc2[nH]nc3nc([C@H]4CCCN4C(=O)C4CCCC4)ccc32)CC1 ZINC000072374526 211105037 /nfs/dbraw/zinc/10/50/37/211105037.db2.gz HWLKWLAPOMSGIN-LJQANCHMSA-N 1 1 396.539 3.318 40 0 GGABMO Cc1cc(-c2cnn(C)c2)cc([C@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000072374644 211104395 /nfs/dbraw/zinc/10/43/95/211104395.db2.gz VCMLSFHBSHWCNS-INIZCTEOSA-N 1 1 393.466 3.358 40 0 GGABMO Cc1cc(-c2cnn(C)c2)cc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000072374644 211104399 /nfs/dbraw/zinc/10/43/99/211104399.db2.gz VCMLSFHBSHWCNS-INIZCTEOSA-N 1 1 393.466 3.358 40 0 GGABMO CNc1cc(Nc2nccc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)ncn1 ZINC000072377570 211104308 /nfs/dbraw/zinc/10/43/08/211104308.db2.gz KOBPCSPUBSWRLQ-SFHVURJKSA-N 1 1 389.507 3.474 40 0 GGABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)CC1 ZINC000072346205 211094490 /nfs/dbraw/zinc/09/44/90/211094490.db2.gz KOVMYZOFSGOIET-QGZVFWFLSA-N 1 1 397.498 3.055 40 0 GGABMO COc1cccc([C@H](O)C[N@@H+]2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)c1 ZINC000072342778 211093627 /nfs/dbraw/zinc/09/36/27/211093627.db2.gz KXFUCZDPIAISSF-OAQYLSRUSA-N 1 1 378.476 3.177 40 0 GGABMO COC(=O)[C@@]1(Cc2ccccc2)C(=O)C[C@@H]2CC[C@H]1[N@@H+]2Cc1cccc(OC)c1 ZINC000072341105 211093656 /nfs/dbraw/zinc/09/36/56/211093656.db2.gz PEBADQGRNASMPF-XZDHIHRUSA-N 1 1 393.483 3.403 40 0 GGABMO CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccccc3C)=NO2)CCC[N@H+](CC(C)=O)C1 ZINC000072337734 211093014 /nfs/dbraw/zinc/09/30/14/211093014.db2.gz PUFWNYIRQSBAGQ-PGRDOPGGSA-N 1 1 386.492 3.112 40 0 GGABMO CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccccc3C)=NO2)CCC[N@@H+](CC(C)=O)C1 ZINC000072337734 211093015 /nfs/dbraw/zinc/09/30/15/211093015.db2.gz PUFWNYIRQSBAGQ-PGRDOPGGSA-N 1 1 386.492 3.112 40 0 GGABMO COc1cccc(-c2cncc([C@H]3CCC[N@@H+](CC(=O)N4CCCCC4)C3)n2)c1 ZINC000072359365 211101510 /nfs/dbraw/zinc/10/15/10/211101510.db2.gz RSAZCYNYLPESNA-IBGZPJMESA-N 1 1 394.519 3.344 40 0 GGABMO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@H+](C3CCOCC3)C2)c1 ZINC000072359076 211100769 /nfs/dbraw/zinc/10/07/69/211100769.db2.gz ZLOOSVGCMZEBGU-SFHVURJKSA-N 1 1 380.492 3.460 40 0 GGABMO COc1cccc(Oc2cncc([C@H]3CCC[N@H+](Cc4ccnn4C)C3)n2)c1 ZINC000072362828 211100656 /nfs/dbraw/zinc/10/06/56/211100656.db2.gz KHTASZJRMUFAMI-INIZCTEOSA-N 1 1 379.464 3.391 40 0 GGABMO COc1cccc(Oc2cncc([C@H]3CCC[N@@H+](Cc4ccnn4C)C3)n2)c1 ZINC000072362828 211100659 /nfs/dbraw/zinc/10/06/59/211100659.db2.gz KHTASZJRMUFAMI-INIZCTEOSA-N 1 1 379.464 3.391 40 0 GGABMO Cc1noc(C)c1CC(=O)N1CC[N@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355218 211098011 /nfs/dbraw/zinc/09/80/11/211098011.db2.gz WEGCNLCTTRSMCW-LJQANCHMSA-N 1 1 396.535 3.175 40 0 GGABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2ccc(Nc3nc(C)cc(C)n3)cn2)C1 ZINC000072353267 211097517 /nfs/dbraw/zinc/09/75/17/211097517.db2.gz OAWFZBVCHPQECV-GOSISDBHSA-N 1 1 396.539 3.280 40 0 GGABMO O=C(C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1)N1CCOCC1 ZINC000072348725 211095989 /nfs/dbraw/zinc/09/59/89/211095989.db2.gz QTNFATIALVZCIR-SFHVURJKSA-N 1 1 399.922 3.440 40 0 GGABMO COCCOc1ccc(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)cc1OC ZINC000072343287 211095814 /nfs/dbraw/zinc/09/58/14/211095814.db2.gz FSSMHCGNQLGSIG-UGKGYDQZSA-N 1 1 396.487 3.264 40 0 GGABMO COCCOc1ccc(C[N@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)cc1OC ZINC000072343287 211095817 /nfs/dbraw/zinc/09/58/17/211095817.db2.gz FSSMHCGNQLGSIG-UGKGYDQZSA-N 1 1 396.487 3.264 40 0 GGABMO Fc1ccc(-c2cc(CC3([NH2+]Cc4ccc5c(c4)OCO5)COC3)no2)cc1 ZINC000067897883 210326064 /nfs/dbraw/zinc/32/60/64/210326064.db2.gz BJZKIDVBRVVJDK-UHFFFAOYSA-N 1 1 382.391 3.311 40 0 biogenic,in-vitro GGABMO COc1ccc(-c2cc(CC3([NH2+]Cc4ccc5c(c4)OCO5)COC3)no2)cc1 ZINC000067898358 210333105 /nfs/dbraw/zinc/33/31/05/210333105.db2.gz DQVQEUJGKAREOR-UHFFFAOYSA-N 1 1 394.427 3.180 40 0 biogenic,in-vitro GGABMO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@H]3Cn3cccn3)c2)cs1 ZINC000019714124 210285211 /nfs/dbraw/zinc/28/52/11/210285211.db2.gz GSCHQLBGRAYWMA-SFHVURJKSA-N 1 1 381.505 3.418 40 0 GGABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)CC1CCCCC1)CC2 ZINC000019711457 210285361 /nfs/dbraw/zinc/28/53/61/210285361.db2.gz NLKUUDPJHLOOIQ-QGZVFWFLSA-N 1 1 385.556 3.183 40 0 GGABMO Cc1[nH+]ccn1CCCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCO1 ZINC000019740020 210291048 /nfs/dbraw/zinc/29/10/48/210291048.db2.gz POAATOKXVFOKRF-QFIPXVFZSA-N 1 1 394.475 3.145 40 0 GGABMO COc1ccc2c(c1)OCC(C[N@@H+](C)Cc1ccccc1N1CCOCC1)=C2 ZINC000019715756 210287665 /nfs/dbraw/zinc/28/76/65/210287665.db2.gz BKHPAMAWUQVTPW-UHFFFAOYSA-N 1 1 380.488 3.440 40 0 GGABMO C[C@H]1CCCN(c2ncc(C[N@H+](C)Cc3ccccc3N3CCOCC3)cn2)C1 ZINC000019715679 210287562 /nfs/dbraw/zinc/28/75/62/210287562.db2.gz KKLHVQHDYCOKOI-IBGZPJMESA-N 1 1 395.551 3.182 40 0 GGABMO C[C@H]1CCCN(c2ncc(C[N@@H+](C)Cc3ccccc3N3CCOCC3)cn2)C1 ZINC000019715679 210287564 /nfs/dbraw/zinc/28/75/64/210287564.db2.gz KKLHVQHDYCOKOI-IBGZPJMESA-N 1 1 395.551 3.182 40 0 GGABMO C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)c2ccc(Cn3cnnn3)cc2)c1 ZINC000019714824 210286561 /nfs/dbraw/zinc/28/65/61/210286561.db2.gz BRYRGRJJWNEVRG-QGZVFWFLSA-N 1 1 390.491 3.348 40 0 GGABMO c1ccc(OC2CCCC2)c(CN2CCc3nnc(C4CC[NH2+]CC4)n3CC2)c1 ZINC000019708952 210283098 /nfs/dbraw/zinc/28/30/98/210283098.db2.gz GCNIQVRORXSQNB-UHFFFAOYSA-N 1 1 395.551 3.125 40 0 GGABMO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCC[N@@H+]2CC(=O)NC2CCCCC2)n1 ZINC000019690941 210281324 /nfs/dbraw/zinc/28/13/24/210281324.db2.gz SZVZVWJRLSXMTM-HXUWFJFHSA-N 1 1 394.523 3.015 40 0 GGABMO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCC[N@H+]2CC(=O)NC2CCCCC2)n1 ZINC000019690941 210281329 /nfs/dbraw/zinc/28/13/29/210281329.db2.gz SZVZVWJRLSXMTM-HXUWFJFHSA-N 1 1 394.523 3.015 40 0 GGABMO Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)[nH+]1 ZINC000019698120 210281385 /nfs/dbraw/zinc/28/13/85/210281385.db2.gz GBDOWDBBDOCWHZ-JOCHJYFZSA-N 1 1 396.510 3.187 40 0 GGABMO CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000019689981 210281110 /nfs/dbraw/zinc/28/11/10/210281110.db2.gz DOVDMNADJXKSGV-LJQANCHMSA-N 1 1 380.471 3.419 40 0 GGABMO Cc1ccc(CC(=O)N2CCC[C@@H]2c2cc(N3CCN(C)CC3)cc(C)[nH+]2)cc1 ZINC000019698206 210280988 /nfs/dbraw/zinc/28/09/88/210280988.db2.gz ZWXNHTXAPVQNCB-HSZRJFAPSA-N 1 1 392.547 3.356 40 0 GGABMO COc1cccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1 ZINC000019661204 210280250 /nfs/dbraw/zinc/28/02/50/210280250.db2.gz LGBURXFKHPRBLF-IBGZPJMESA-N 1 1 377.448 3.083 40 0 GGABMO COc1cccc(C[N@H+]2CCC[C@H]2C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1 ZINC000019661204 210280252 /nfs/dbraw/zinc/28/02/52/210280252.db2.gz LGBURXFKHPRBLF-IBGZPJMESA-N 1 1 377.448 3.083 40 0 GGABMO O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)Nc1ccc(Oc2cccnc2)cc1 ZINC000019658107 210277223 /nfs/dbraw/zinc/27/72/23/210277223.db2.gz PFZYYJATAIBURG-GOSISDBHSA-N 1 1 377.448 3.174 40 0 GGABMO O=C(C[N@H+]1CCC[C@@H]1Cn1cccn1)Nc1ccc(Oc2cccnc2)cc1 ZINC000019658107 210277226 /nfs/dbraw/zinc/27/72/26/210277226.db2.gz PFZYYJATAIBURG-GOSISDBHSA-N 1 1 377.448 3.174 40 0 GGABMO COCc1nc2ccccc2n1CC(=O)N1CCC(CCn2cc[nH+]c2C)CC1 ZINC000019656400 210276789 /nfs/dbraw/zinc/27/67/89/210276789.db2.gz BCJMXWPAHIMWAR-UHFFFAOYSA-N 1 1 395.507 3.017 40 0 GGABMO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)nn1C ZINC000019658769 210276621 /nfs/dbraw/zinc/27/66/21/210276621.db2.gz OBQDMJXWRPCVBD-QGZVFWFLSA-N 1 1 394.523 3.477 40 0 GGABMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)nn1C ZINC000019658769 210276626 /nfs/dbraw/zinc/27/66/26/210276626.db2.gz OBQDMJXWRPCVBD-QGZVFWFLSA-N 1 1 394.523 3.477 40 0 GGABMO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019591771 210276091 /nfs/dbraw/zinc/27/60/91/210276091.db2.gz PYKFENWTBDLYBF-DEOSSOPVSA-N 1 1 386.499 3.324 40 0 GGABMO COCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)no1 ZINC000019593551 210275897 /nfs/dbraw/zinc/27/58/97/210275897.db2.gz JKOWQGDETDNNKG-OAHLLOKOSA-N 1 1 377.872 3.084 40 0 GGABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019591766 210275689 /nfs/dbraw/zinc/27/56/89/210275689.db2.gz KKMOIIUCTCCSJE-XMMPIXPASA-N 1 1 386.499 3.324 40 0 GGABMO Cc1c(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c2ccccc2n1C ZINC000019581733 210271169 /nfs/dbraw/zinc/27/11/69/210271169.db2.gz RCDNGXLZIUWIEK-HXUWFJFHSA-N 1 1 389.503 3.242 40 0 GGABMO C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CCCCCC2)C1)c1ccc(F)cc1 ZINC000019581554 210271212 /nfs/dbraw/zinc/27/12/12/210271212.db2.gz VCJWYNHAHLJVET-UYAOXDASSA-N 1 1 389.515 3.070 40 0 GGABMO CN(C)c1ncccc1C[N@@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019584128 210270139 /nfs/dbraw/zinc/27/01/39/210270139.db2.gz AIJCYFLUZHOYRT-LJQANCHMSA-N 1 1 390.491 3.432 40 0 GGABMO CN(C)c1ncccc1C[N@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019584128 210270143 /nfs/dbraw/zinc/27/01/43/210270143.db2.gz AIJCYFLUZHOYRT-LJQANCHMSA-N 1 1 390.491 3.432 40 0 GGABMO CN(C)C(=O)Cn1c2ncccc2c(C[N@@H+](C)CCc2ccccn2)c1C1CC1 ZINC000019581259 210269985 /nfs/dbraw/zinc/26/99/85/210269985.db2.gz GIEKRKZZGNWIHK-UHFFFAOYSA-N 1 1 391.519 3.071 40 0 GGABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019570253 210268298 /nfs/dbraw/zinc/26/82/98/210268298.db2.gz WBYKSJLVVXNTSP-CWRNSKLLSA-N 1 1 377.439 3.189 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c(C)c1C ZINC000019577282 210268411 /nfs/dbraw/zinc/26/84/11/210268411.db2.gz ANCXEHCMHFCCBK-SFHVURJKSA-N 1 1 390.487 3.447 40 0 GGABMO COCCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c1 ZINC000019593775 210274295 /nfs/dbraw/zinc/27/42/95/210274295.db2.gz JEVFVYBGQFLEPF-TYABSZSSSA-N 1 1 382.504 3.227 40 0 GGABMO COCc1ccc(OC)c(CN2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019590318 210273441 /nfs/dbraw/zinc/27/34/41/210273441.db2.gz DBWLLXGQBPQNDK-OAQYLSRUSA-N 1 1 396.535 3.347 40 0 GGABMO CN1CC[N@@H+](Cc2cccnc2)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O ZINC000019589574 210273521 /nfs/dbraw/zinc/27/35/21/210273521.db2.gz JQNXKVQVEZTRID-QHCPKHFHSA-N 1 1 386.499 3.277 40 0 GGABMO C[N@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)CN1CCCCCC1=O ZINC000019589144 210273044 /nfs/dbraw/zinc/27/30/44/210273044.db2.gz HIQKMNUQDHODCU-PQNGQFLHSA-N 1 1 397.563 3.258 40 0 GGABMO C[N@@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(Cc2cccnc2)CC1 ZINC000019587739 210272737 /nfs/dbraw/zinc/27/27/37/210272737.db2.gz RVUVEZYQAZZSAE-SIKLNZKXSA-N 1 1 396.510 3.392 40 0 GGABMO C[N@H+]1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@@H]1C1CCN(Cc2cccnc2)CC1 ZINC000019587739 210272741 /nfs/dbraw/zinc/27/27/41/210272741.db2.gz RVUVEZYQAZZSAE-SIKLNZKXSA-N 1 1 396.510 3.392 40 0 GGABMO COc1ccc(OC)c(CN2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019590320 210272853 /nfs/dbraw/zinc/27/28/53/210272853.db2.gz XNUZLTTXRNMQHY-HXUWFJFHSA-N 1 1 382.508 3.209 40 0 GGABMO CN1CC[N@@H+](Cc2ccncc2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019589504 210272528 /nfs/dbraw/zinc/27/25/28/210272528.db2.gz MIRFEXQHENJAQC-QHCPKHFHSA-N 1 1 386.499 3.277 40 0 GGABMO C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccc(N4CCCC4)cc3)ncc2C1 ZINC000019590552 210271698 /nfs/dbraw/zinc/27/16/98/210271698.db2.gz KLEDFHOTKWCPPS-NRFANRHFSA-N 1 1 391.519 3.042 40 0 GGABMO COc1cc(C)c(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc1OC ZINC000012122173 221154644 /nfs/dbraw/zinc/15/46/44/221154644.db2.gz QAQDTRJYWCYZLZ-UHFFFAOYSA-N 1 1 392.459 3.128 40 0 GGABMO CCC[N@@H+]1C[C@@H](c2ccc(OC)cc2)[C@H](NC(=O)c2ccc(OC)c(OC)c2)C1 ZINC000012364767 221184413 /nfs/dbraw/zinc/18/44/13/221184413.db2.gz SUTNPAGIDLBCKP-VQTJNVASSA-N 1 1 398.503 3.320 40 0 GGABMO C[C@H]1CCC[N@@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182698 221162591 /nfs/dbraw/zinc/16/25/91/221162591.db2.gz FBCKMAABBGCLJQ-JCGIZDLHSA-N 1 1 388.512 3.119 40 0 GGABMO Cc1nc2c(c(N3CC[N@H+]4CCCC[C@@H]4C3)n1)CN(Cc1ccccc1)CC2 ZINC000012183371 221162974 /nfs/dbraw/zinc/16/29/74/221162974.db2.gz NUCZEQRVZYDIQK-HXUWFJFHSA-N 1 1 377.536 3.018 40 0 GGABMO COc1ccc2c(c1)C=C(C[N@H+](Cc1ccc3c(c1)OCO3)C[C@H](C)O)CO2 ZINC000012185683 221163536 /nfs/dbraw/zinc/16/35/36/221163536.db2.gz JARVVCYZZBEXPR-HNNXBMFYSA-N 1 1 383.444 3.083 40 0 GGABMO CC1CCN(C(=O)C[NH+]2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)CC1 ZINC000012184725 221163713 /nfs/dbraw/zinc/16/37/13/221163713.db2.gz INPARNZAXJKBPT-UHFFFAOYSA-N 1 1 391.899 3.143 40 0 GGABMO C[N@@H+](CCCNC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccccc1 ZINC000040069013 132393460 /nfs/dbraw/zinc/39/34/60/132393460.db2.gz PYSMPGXDKQSMDZ-UHFFFAOYSA-N 1 1 384.499 3.179 40 0 GGABMO COCC[NH+]1CCN(c2c(C)c(C)nc3c(-c4ccc(F)cc4)c(C)nn32)CC1 ZINC000057719800 136153840 /nfs/dbraw/zinc/15/38/40/136153840.db2.gz HXDMGDDBXCJAJN-UHFFFAOYSA-N 1 1 397.498 3.229 40 0 GGABMO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccnc4ccccc24)C3)CC1 ZINC000072335647 136168366 /nfs/dbraw/zinc/16/83/66/136168366.db2.gz MCKBMCSPPTWYLK-UHFFFAOYSA-N 1 1 389.503 3.113 40 0 GGABMO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccnc4ccccc24)C3)CC1 ZINC000072335647 136168367 /nfs/dbraw/zinc/16/83/67/136168367.db2.gz MCKBMCSPPTWYLK-UHFFFAOYSA-N 1 1 389.503 3.113 40 0 GGABMO Cc1nc([C@H]2CCC[N@@H+]2C2CCOCC2)nc2c1CCC(=O)N2CCC(C)C ZINC000072371104 136168981 /nfs/dbraw/zinc/16/89/81/136168981.db2.gz KWMYQQLKSZVOEG-LJQANCHMSA-N 1 1 386.540 3.426 40 0 GGABMO Cc1nc([C@H]2CCC[N@H+]2C2CCOCC2)nc2c1CCC(=O)N2CCC(C)C ZINC000072371104 136168982 /nfs/dbraw/zinc/16/89/82/136168982.db2.gz KWMYQQLKSZVOEG-LJQANCHMSA-N 1 1 386.540 3.426 40 0 GGABMO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccc4cccnc42)CC3)C1 ZINC000072389575 136169158 /nfs/dbraw/zinc/16/91/58/136169158.db2.gz ZBPFMDTVBYSDRE-MRXNPFEDSA-N 1 1 389.503 3.113 40 0 GGABMO Cc1ccccc1C(=O)Nc1cccc(-c2ccc(N3CC[NH+](C)CC3)nn2)c1 ZINC000004939836 136194089 /nfs/dbraw/zinc/19/40/89/136194089.db2.gz WRZBFXJIKNUXIW-UHFFFAOYSA-N 1 1 387.487 3.456 40 0 GGABMO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000008747123 136195714 /nfs/dbraw/zinc/19/57/14/136195714.db2.gz LWPDZLDLZYRZLZ-UHFFFAOYSA-N 1 1 385.458 3.278 40 0 GGABMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000008747123 136195715 /nfs/dbraw/zinc/19/57/15/136195715.db2.gz LWPDZLDLZYRZLZ-UHFFFAOYSA-N 1 1 385.458 3.278 40 0 GGABMO C[N@@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)c1ccccc1-c1ccccc1)C2 ZINC000019767317 523830547 /nfs/dbraw/zinc/83/05/47/523830547.db2.gz FCLOIRVQFPMWDN-HXUWFJFHSA-N 1 1 387.487 3.368 40 0 GGABMO C[N@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)c1ccccc1-c1ccccc1)C2 ZINC000019767317 523830555 /nfs/dbraw/zinc/83/05/55/523830555.db2.gz FCLOIRVQFPMWDN-HXUWFJFHSA-N 1 1 387.487 3.368 40 0 GGABMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000012810117 526890410 /nfs/dbraw/zinc/89/04/10/526890410.db2.gz PGQDDGVXNJAPRK-IBGZPJMESA-N 1 1 378.457 3.235 40 0 GGABMO C[C@@]1(O)CC[N@H+](Cc2cccc(F)c2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514290014 560030743 /nfs/dbraw/zinc/03/07/43/560030743.db2.gz UUHYXMJYPLTEMM-QNWVGRARSA-N 1 1 382.479 3.419 40 0 biogenic,in-vitro GGABMO C[C@@]1(O)CC[N@@H+](Cc2cccc(F)c2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514290014 560030744 /nfs/dbraw/zinc/03/07/44/560030744.db2.gz UUHYXMJYPLTEMM-QNWVGRARSA-N 1 1 382.479 3.419 40 0 biogenic,in-vitro GGABMO C[C@@]1(O)CC[N@H+](Cc2cccnc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289973 560031217 /nfs/dbraw/zinc/03/12/17/560031217.db2.gz RVSFQTFSSXROAJ-WPFOTENUSA-N 1 1 393.531 3.455 40 0 biogenic,in-vitro GGABMO C[C@@]1(O)CC[N@@H+](Cc2cccnc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289973 560031218 /nfs/dbraw/zinc/03/12/18/560031218.db2.gz RVSFQTFSSXROAJ-WPFOTENUSA-N 1 1 393.531 3.455 40 0 biogenic,in-vitro GGABMO COc1cccc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)C3CC3)[C@@H]2c2ccccc2)c1 ZINC000514289878 560031340 /nfs/dbraw/zinc/03/13/40/560031340.db2.gz LJGMIROOHUXJHY-WPFOTENUSA-N 1 1 394.515 3.288 40 0 biogenic,in-vitro GGABMO C[C@@]1(O)CC[N@H+](Cc2ccc(F)cc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289730 560031737 /nfs/dbraw/zinc/03/17/37/560031737.db2.gz CYJXZAMUCGBNAJ-QNWVGRARSA-N 1 1 382.479 3.419 40 0 biogenic,in-vitro GGABMO C[C@@]1(O)CC[N@@H+](Cc2ccc(F)cc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289730 560031738 /nfs/dbraw/zinc/03/17/38/560031738.db2.gz CYJXZAMUCGBNAJ-QNWVGRARSA-N 1 1 382.479 3.419 40 0 biogenic,in-vitro GGABMO CCN(CC)Cc1nc(C2(O)CC[NH+](Cc3ccccc3OC)CC2)cs1 ZINC000225421134 560043525 /nfs/dbraw/zinc/04/35/25/560043525.db2.gz IODRAZVIEBGRAQ-UHFFFAOYSA-N 1 1 389.565 3.477 40 0 biogenic,in-vitro GGABMO COCC(=O)N[C@H]1C[C@@H](Cc2cc(C[N@H+](C)Cc3ccccc3)on2)C1(C)C ZINC000067889947 560050134 /nfs/dbraw/zinc/05/01/34/560050134.db2.gz HIMFMORBUYMWFF-XLIONFOSSA-N 1 1 385.508 3.026 40 0 biogenic,in-vitro GGABMO COCC(=O)N[C@H]1C[C@@H](Cc2cc(C[N@@H+](C)Cc3ccccc3)on2)C1(C)C ZINC000067889947 560050135 /nfs/dbraw/zinc/05/01/35/560050135.db2.gz HIMFMORBUYMWFF-XLIONFOSSA-N 1 1 385.508 3.026 40 0 biogenic,in-vitro GGABMO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccccc4C)C[C@H]3F)nc2c1 ZINC000096112380 560060602 /nfs/dbraw/zinc/06/06/02/560060602.db2.gz FABFUYUARHPDBZ-XLIONFOSSA-N 1 1 397.450 3.397 40 0 biogenic,in-vitro GGABMO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccccc4C)C[C@H]3F)nc2c1 ZINC000096112380 560060603 /nfs/dbraw/zinc/06/06/03/560060603.db2.gz FABFUYUARHPDBZ-XLIONFOSSA-N 1 1 397.450 3.397 40 0 biogenic,in-vitro GGABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)c1 ZINC000035425049 560081011 /nfs/dbraw/zinc/08/10/11/560081011.db2.gz BBOPUELWDGPHNV-IBGZPJMESA-N 1 1 380.448 3.494 40 0 biogenic,in-vitro GGABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)c1 ZINC000035425049 560081013 /nfs/dbraw/zinc/08/10/13/560081013.db2.gz BBOPUELWDGPHNV-IBGZPJMESA-N 1 1 380.448 3.494 40 0 biogenic,in-vitro GGABMO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@@H+](CCCc2ccccc2)C1 ZINC000015674982 560095165 /nfs/dbraw/zinc/09/51/65/560095165.db2.gz BYHPVLFCNXPUGP-MSOLQXFVSA-N 1 1 393.443 3.206 40 0 biogenic,in-vitro GGABMO O=C(Nc1cccc2ccccc21)O[C@@H]1CO[C@@H]2[C@@H]([NH2+]Cc3ccco3)CO[C@H]12 ZINC000004236482 560197639 /nfs/dbraw/zinc/19/76/39/560197639.db2.gz LRRJUGQWMDOFSM-DOIPELPJSA-N 1 1 394.427 3.306 40 0 biogenic,in-vitro GGABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)CC(C)C)cc2Cl)CC1 ZINC000005644286 564218218 /nfs/dbraw/zinc/21/82/18/564218218.db2.gz FQHDTYYFVZQTNL-UHFFFAOYSA-N 1 1 382.961 3.341 40 0 GGABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000010544207 564258803 /nfs/dbraw/zinc/25/88/03/564258803.db2.gz ZMSZIRISKUOOBT-HNNXBMFYSA-N 1 1 389.359 3.382 40 0 GGABMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000032929489 564407617 /nfs/dbraw/zinc/40/76/17/564407617.db2.gz IJJZXJOGELDICT-LLVKDONJSA-N 1 1 384.851 3.369 40 0 GGABMO Cc1cc(Br)cc(C)c1NC(=S)NCCC[NH+]1CCOCC1 ZINC000044195181 564464708 /nfs/dbraw/zinc/46/47/08/564464708.db2.gz HEBVDOYPGXWVCV-UHFFFAOYSA-N 1 1 386.359 3.075 40 0 GGABMO COc1cccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2Cl)[NH+](C)C)c1 ZINC000044301533 564466217 /nfs/dbraw/zinc/46/62/17/564466217.db2.gz SQPAWWJVOQEUKH-MRXNPFEDSA-N 1 1 386.876 3.069 40 0 GGABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)cc1 ZINC000047276365 564516921 /nfs/dbraw/zinc/51/69/21/564516921.db2.gz MSSPYAOQTVOPTC-UHFFFAOYSA-N 1 1 389.293 3.211 40 0 GGABMO CC(C)[NH+]1CCN(C(=O)c2ccc(Cl)cc2I)CC1 ZINC000047841140 564527094 /nfs/dbraw/zinc/52/70/94/564527094.db2.gz ADJGVUHLYYJUQG-UHFFFAOYSA-N 1 1 392.668 3.111 40 0 GGABMO OCC[N@H+](Cc1ccc2c[nH]nc2c1)Cc1cc(Br)ccc1F ZINC000126735661 564560042 /nfs/dbraw/zinc/56/00/42/564560042.db2.gz ISTUQCAKAKEHAK-UHFFFAOYSA-N 1 1 378.245 3.459 40 0 GGABMO OCC[N@@H+](Cc1ccc2c[nH]nc2c1)Cc1cc(Br)ccc1F ZINC000126735661 564560046 /nfs/dbraw/zinc/56/00/46/564560046.db2.gz ISTUQCAKAKEHAK-UHFFFAOYSA-N 1 1 378.245 3.459 40 0 GGABMO CCOC[C@]1([NH3+])[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000217926886 565898478 /nfs/dbraw/zinc/89/84/78/565898478.db2.gz RXWIMFXGLWKALU-SQNIBIBYSA-N 1 1 383.872 3.153 40 0 GGABMO COC[C@@]1([NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218622368 565899587 /nfs/dbraw/zinc/89/95/87/565899587.db2.gz WGLSPHQPRTYZED-YESZJQIVSA-N 1 1 386.300 3.277 40 0 GGABMO CCOC[C@@]1([NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218610141 565899755 /nfs/dbraw/zinc/89/97/55/565899755.db2.gz BSTHMDPOSYEXJF-CEXWTWQISA-N 1 1 379.909 3.322 40 0 GGABMO O=C(Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C(Cl)(Cl)Cl ZINC000225590366 565915263 /nfs/dbraw/zinc/91/52/63/565915263.db2.gz MMQREVGKCASJGA-UHFFFAOYSA-N 1 1 381.687 3.096 40 0 GGABMO O=C([C@H]1CCc2[nH]cnc2C1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000225510821 565915270 /nfs/dbraw/zinc/91/52/70/565915270.db2.gz MUTQKFMRJDACSA-LBPRGKRZSA-N 1 1 379.291 3.170 40 0 GGABMO O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238848240 565983033 /nfs/dbraw/zinc/98/30/33/565983033.db2.gz IVLQYEHZSUWQMJ-SFHVURJKSA-N 1 1 376.909 3.161 40 0 GGABMO O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238848240 565983035 /nfs/dbraw/zinc/98/30/35/565983035.db2.gz IVLQYEHZSUWQMJ-SFHVURJKSA-N 1 1 376.909 3.161 40 0 GGABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242473320 565984185 /nfs/dbraw/zinc/98/41/85/565984185.db2.gz FGIDHNHMDHHYER-KSZLIROESA-N 1 1 383.872 3.153 40 0 GGABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(F)c1 ZINC000242649227 565984282 /nfs/dbraw/zinc/98/42/82/565984282.db2.gz RXWIMFXGLWKALU-KURKYZTESA-N 1 1 383.872 3.153 40 0 GGABMO CC(C)(O)COc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000585269060 570235519 /nfs/dbraw/zinc/23/55/19/570235519.db2.gz ACWXXXWNFJVKKS-PMACEKPBSA-N 1 1 391.895 3.114 40 0 GGABMO O[C@]1(COc2cccc(Cl)c2)COCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585274102 570243513 /nfs/dbraw/zinc/24/35/13/570243513.db2.gz RKTPBVGVYXLCNE-NRFANRHFSA-N 1 1 386.879 3.464 40 0 GGABMO CC(=O)N/C(=C/c1ccccc1Cl)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013534049 570247247 /nfs/dbraw/zinc/24/72/47/570247247.db2.gz TYVQFDGXWDFTOB-RCCKNPSSSA-N 1 1 397.906 3.161 40 0 GGABMO CC(=O)N1CC[C@H]2[C@@H](C1)CCCC[N@H+]2CC1(O)CCN(c2cccc(C)c2)CC1 ZINC000585284833 570253838 /nfs/dbraw/zinc/25/38/38/570253838.db2.gz JRGIGYPDMZVWHL-GGAORHGYSA-N 1 1 399.579 3.049 40 0 GGABMO CC(=O)N1CCCC[C@H]2C[N@H+]([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)CC[C@H]21 ZINC000585288960 570256788 /nfs/dbraw/zinc/25/67/88/570256788.db2.gz LTAJAYVHZIZMTH-KDQFFHPLSA-N 1 1 386.536 3.070 40 0 GGABMO COc1cccc(N2CCC(O)(C[N@H+]3CCC[C@H]4OC(C)(C)CC[C@H]43)CC2)c1 ZINC000585287604 570258962 /nfs/dbraw/zinc/25/89/62/570258962.db2.gz ZLEXLEUGRGGHRV-NHCUHLMSSA-N 1 1 388.552 3.449 40 0 GGABMO Cn1ccc(C[N@@H+]2CCC[C@@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)n1 ZINC000585290901 570259436 /nfs/dbraw/zinc/25/94/36/570259436.db2.gz XNUPZWCYYLAMPU-CYBMUJFWSA-N 1 1 392.385 3.264 40 0 GGABMO Cn1ccc(C[N@H+]2CCC[C@@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)n1 ZINC000585290901 570259437 /nfs/dbraw/zinc/25/94/37/570259437.db2.gz XNUPZWCYYLAMPU-CYBMUJFWSA-N 1 1 392.385 3.264 40 0 GGABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@H+]1Cc1ccc(OCCF)cc1 ZINC000585291711 570260264 /nfs/dbraw/zinc/26/02/64/570260264.db2.gz BLXPBYMPAVPQIS-VAMGGRTRSA-N 1 1 379.859 3.010 40 0 GGABMO O=C(C[NH+]1CCC(c2nnc(-c3ccco3)o2)CC1)N1CCc2ccccc21 ZINC000049372030 570263103 /nfs/dbraw/zinc/26/31/03/570263103.db2.gz FKSVNESSDZZCHE-UHFFFAOYSA-N 1 1 378.432 3.098 40 0 GGABMO Cc1cn2c(/C=C/C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(C)nc2s1 ZINC000024713687 570280943 /nfs/dbraw/zinc/28/09/43/570280943.db2.gz NLEUQKJCJIYOAP-CMDGGOBGSA-N 1 1 380.517 3.370 40 0 GGABMO COc1ccccc1-c1noc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)n1 ZINC000014019687 570281505 /nfs/dbraw/zinc/28/15/05/570281505.db2.gz OLIGWXUNQPZGNV-UHFFFAOYSA-N 1 1 398.507 3.360 40 0 GGABMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000012915830 570293208 /nfs/dbraw/zinc/29/32/08/570293208.db2.gz MLPIMVKXGVRPNH-LLVKDONJSA-N 1 1 392.381 3.334 40 0 GGABMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000012915830 570293211 /nfs/dbraw/zinc/29/32/11/570293211.db2.gz MLPIMVKXGVRPNH-LLVKDONJSA-N 1 1 392.381 3.334 40 0 GGABMO Cc1nn2c(nc(C[N@@H+](C)Cc3ccccc3N3CCCCC3)cc2=O)s1 ZINC000043272906 570298420 /nfs/dbraw/zinc/29/84/20/570298420.db2.gz GMPBRWIOACFHNV-UHFFFAOYSA-N 1 1 383.521 3.082 40 0 GGABMO Cc1nn2c(nc(C[N@H+](C)Cc3ccccc3N3CCCCC3)cc2=O)s1 ZINC000043272906 570298421 /nfs/dbraw/zinc/29/84/21/570298421.db2.gz GMPBRWIOACFHNV-UHFFFAOYSA-N 1 1 383.521 3.082 40 0 GGABMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000022240008 570309849 /nfs/dbraw/zinc/30/98/49/570309849.db2.gz VTPLSTDATLBFRU-UHFFFAOYSA-N 1 1 377.410 3.462 40 0 GGABMO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012326985 570315305 /nfs/dbraw/zinc/31/53/05/570315305.db2.gz DPDPJSZEUGGPKL-HXUWFJFHSA-N 1 1 379.504 3.304 40 0 GGABMO Cc1ccc(C(=O)N[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C(C)C)cc1 ZINC000023466407 570324463 /nfs/dbraw/zinc/32/44/63/570324463.db2.gz UALHWMJLBFVRRW-JOCHJYFZSA-N 1 1 393.531 3.094 40 0 GGABMO CN1CC[NH+](CCCNC(=O)c2ccc(CSc3ccccc3)cc2)CC1 ZINC000022935142 570338319 /nfs/dbraw/zinc/33/83/19/570338319.db2.gz QFUNUOVXFBFYMT-UHFFFAOYSA-N 1 1 383.561 3.346 40 0 GGABMO O=C(CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1)N1CCc2ccccc21 ZINC000023005476 570340265 /nfs/dbraw/zinc/34/02/65/570340265.db2.gz HQHPIOBHDSWJBX-UHFFFAOYSA-N 1 1 397.906 3.077 40 0 GGABMO COc1ccc([C@@H](CNS(=O)(=O)c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000023994216 570341883 /nfs/dbraw/zinc/34/18/83/570341883.db2.gz QZBLHALNFZREJP-LJQANCHMSA-N 1 1 394.924 3.464 40 0 GGABMO COc1c2c(cc3c1[C@@H](CC(=O)[C@H]1CCOC(C)(C)C1)[N@H+](C)CC3)OCO2 ZINC000035361453 570344627 /nfs/dbraw/zinc/34/46/27/570344627.db2.gz YHFYSFSWQZPERA-LSDHHAIUSA-N 1 1 375.465 3.117 40 0 biogenic GGABMO COc1c2c(cc3c1[C@@H](CC(=O)[C@H]1CCOC(C)(C)C1)[N@@H+](C)CC3)OCO2 ZINC000035361453 570344629 /nfs/dbraw/zinc/34/46/29/570344629.db2.gz YHFYSFSWQZPERA-LSDHHAIUSA-N 1 1 375.465 3.117 40 0 biogenic GGABMO COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@H](C)[N@H+](C)CC4)c1O)CN(C)CC2 ZINC000003847303 570351805 /nfs/dbraw/zinc/35/18/05/570351805.db2.gz FQTHIRNNFNJMJT-ZDUSSCGKSA-N 1 1 398.503 3.319 40 0 GGABMO COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@H](C)[N@@H+](C)CC4)c1O)CN(C)CC2 ZINC000003847303 570351808 /nfs/dbraw/zinc/35/18/08/570351808.db2.gz FQTHIRNNFNJMJT-ZDUSSCGKSA-N 1 1 398.503 3.319 40 0 GGABMO COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@@H](C)[N@H+](C)CC4)c1O)CN(C)CC2 ZINC000003847302 570351967 /nfs/dbraw/zinc/35/19/67/570351967.db2.gz FQTHIRNNFNJMJT-CYBMUJFWSA-N 1 1 398.503 3.319 40 0 GGABMO COc1cc2c(c(-c3c(O)c(OC)cc4c3[C@@H](C)[N@@H+](C)CC4)c1O)CN(C)CC2 ZINC000003847302 570351970 /nfs/dbraw/zinc/35/19/70/570351970.db2.gz FQTHIRNNFNJMJT-CYBMUJFWSA-N 1 1 398.503 3.319 40 0 GGABMO O=S(=O)(c1ccccc1C(F)(F)F)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000057681256 570365446 /nfs/dbraw/zinc/36/54/46/570365446.db2.gz KEADPZJPSHOQAB-OAHLLOKOSA-N 1 1 388.455 3.368 40 0 GGABMO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](C[NH+]1CCOCC1)C2=O ZINC000118915051 570367096 /nfs/dbraw/zinc/36/70/96/570367096.db2.gz OXMJWUNKEJJKIF-RTSZYFAMSA-N 1 1 387.564 3.438 40 0 GGABMO FC(F)(F)c1ccccc1C[N@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000022931374 570379526 /nfs/dbraw/zinc/37/95/26/570379526.db2.gz HZKCNJJFBGOTHA-UHFFFAOYSA-N 1 1 379.426 3.435 40 0 GGABMO FC(F)(F)c1ccccc1C[N@@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000022931374 570379529 /nfs/dbraw/zinc/37/95/29/570379529.db2.gz HZKCNJJFBGOTHA-UHFFFAOYSA-N 1 1 379.426 3.435 40 0 GGABMO COC[C@H](C)NC(=O)c1c(C)n([C@@H]2CCC[N@H+](C(C)C)C2)nc1C(F)(F)F ZINC000036704592 570456109 /nfs/dbraw/zinc/45/61/09/570456109.db2.gz LNZPAJRPFVUUKF-GXTWGEPZSA-N 1 1 390.450 3.020 40 0 GGABMO CC(C)(C)c1ccc(OCCOC[C@H](O)C[NH+]2CCOCC2)c(C(C)(C)C)c1 ZINC000226070678 570458905 /nfs/dbraw/zinc/45/89/05/570458905.db2.gz IRHFVLIJHNQYAS-LJQANCHMSA-N 1 1 393.568 3.370 40 0 GGABMO COc1cccc2cc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)oc21 ZINC000132631432 570466900 /nfs/dbraw/zinc/46/69/00/570466900.db2.gz NNJJNMDCZVQCGZ-UHFFFAOYSA-N 1 1 380.444 3.204 40 0 GGABMO Fc1cccc(-c2cc3nc4c(c(NCCC[NH+]5CCOCC5)n3n2)CCC4)c1 ZINC000035315176 570469543 /nfs/dbraw/zinc/46/95/43/570469543.db2.gz LZLDBXLAORVQNZ-UHFFFAOYSA-N 1 1 395.482 3.158 40 0 GGABMO Cc1c(C)n(C[C@@H](O)C[N@H+](C)Cc2ccc(OCCO)cc2)c2ccccc12 ZINC000257287322 570488619 /nfs/dbraw/zinc/48/86/19/570488619.db2.gz PPLUPUXDPZKAPG-FQEVSTJZSA-N 1 1 382.504 3.122 40 0 GGABMO O[C@H](COc1cccc(C(F)(F)F)c1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000031948149 570507692 /nfs/dbraw/zinc/50/76/92/570507692.db2.gz FSZHZTHEFBXBJE-SFHVURJKSA-N 1 1 398.400 3.406 40 0 GGABMO CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224572024 570518439 /nfs/dbraw/zinc/51/84/39/570518439.db2.gz COSTUJGPCWWPHW-QFIPXVFZSA-N 1 1 382.504 3.301 40 0 GGABMO CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224563932 570518542 /nfs/dbraw/zinc/51/85/42/570518542.db2.gz JAGFFWUGBPRFGA-QFIPXVFZSA-N 1 1 398.503 3.001 40 0 GGABMO CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224575218 570518889 /nfs/dbraw/zinc/51/88/89/570518889.db2.gz YCEUVGGQCXZIEP-FQEVSTJZSA-N 1 1 386.467 3.132 40 0 GGABMO CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224575093 570519052 /nfs/dbraw/zinc/51/90/52/570519052.db2.gz KWETWTVXQGFNLW-FQEVSTJZSA-N 1 1 398.503 3.001 40 0 GGABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1ccccc1OC ZINC000224580308 570519071 /nfs/dbraw/zinc/51/90/71/570519071.db2.gz NRIBLRUDHIKOSY-UHFFFAOYSA-N 1 1 384.476 3.061 40 0 GGABMO O=C(CSCc1ccccc1F)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224584807 570519486 /nfs/dbraw/zinc/51/94/86/570519486.db2.gz HTTDKIZSSVZJGI-UHFFFAOYSA-N 1 1 388.508 3.208 40 0 GGABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1cccc(OC)c1 ZINC000224591446 570519781 /nfs/dbraw/zinc/51/97/81/570519781.db2.gz NWNRJAPTWQJBQO-UHFFFAOYSA-N 1 1 384.476 3.061 40 0 GGABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COc1cccc(OC)c1 ZINC000224592727 570519803 /nfs/dbraw/zinc/51/98/03/570519803.db2.gz QJQAJHSIOTUVJJ-UHFFFAOYSA-N 1 1 398.503 3.451 40 0 GGABMO Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000033221019 570521348 /nfs/dbraw/zinc/52/13/48/570521348.db2.gz ZAYBRRZILBMWKE-IBGZPJMESA-N 1 1 382.504 3.219 40 0 GGABMO O=C1O[C@@H](C[NH+]2CCN(c3ccccc3)CC2)CN1C(=S)Nc1ccccc1 ZINC000033493229 570526655 /nfs/dbraw/zinc/52/66/55/570526655.db2.gz ALXVQWGAFUHBOD-IBGZPJMESA-N 1 1 396.516 3.026 40 0 GGABMO Cc1cc(C)c(C)c(OCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000224733292 570527883 /nfs/dbraw/zinc/52/78/83/570527883.db2.gz XITDBLWAHQNCAY-UHFFFAOYSA-N 1 1 382.504 3.139 40 0 GGABMO Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C ZINC000224741410 570528255 /nfs/dbraw/zinc/52/82/55/570528255.db2.gz WGPCIGQJGABPFM-IBGZPJMESA-N 1 1 382.504 3.219 40 0 GGABMO CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224739622 570528337 /nfs/dbraw/zinc/52/83/37/570528337.db2.gz XYBIROHEYRDWIZ-QFIPXVFZSA-N 1 1 398.503 3.001 40 0 GGABMO CC[C@H](Oc1ccccc1OC)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224741810 570528512 /nfs/dbraw/zinc/52/85/12/570528512.db2.gz YVSXILUQLGNLIW-FQEVSTJZSA-N 1 1 398.503 3.001 40 0 GGABMO COc1cccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH+](C)CC3)o2)c1 ZINC000224902850 570537351 /nfs/dbraw/zinc/53/73/51/570537351.db2.gz CAYCISWVVRUVFH-UHFFFAOYSA-N 1 1 377.444 3.405 40 0 GGABMO C[C@@H]1C[C@H](C)CN(Cc2nnc(C[NH+]3C[C@@H](C)C[C@H](C)C3)n2-n2cccc2)C1 ZINC000225151605 570552397 /nfs/dbraw/zinc/55/23/97/570552397.db2.gz FVESPSCPWAUTHL-LWYYNNOASA-N 1 1 384.572 3.347 40 0 GGABMO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@H+](Cc2nc(-c3ccncc3)no2)C1 ZINC000062022920 570557282 /nfs/dbraw/zinc/55/72/82/570557282.db2.gz OAAATMGVOSFOJC-IBGZPJMESA-N 1 1 395.507 3.350 40 0 GGABMO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@@H+](Cc2nc(-c3ccncc3)no2)C1 ZINC000062022920 570557286 /nfs/dbraw/zinc/55/72/86/570557286.db2.gz OAAATMGVOSFOJC-IBGZPJMESA-N 1 1 395.507 3.350 40 0 GGABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2)C1 ZINC000225263899 570560014 /nfs/dbraw/zinc/56/00/14/570560014.db2.gz XINZYEQLHNRKMD-YLJYHZDGSA-N 1 1 380.488 3.488 40 0 GGABMO CCOC(=O)N1CC[NH+](C[C@H]2C(=O)O[C@H]3C[C@@]4(C)CCC[C@@H](C)C4=C[C@@H]23)CC1 ZINC000036503906 570565339 /nfs/dbraw/zinc/56/53/39/570565339.db2.gz NGNDKPBQSHRIRV-QGAUHXJISA-N 1 1 390.524 3.075 40 0 GGABMO Cc1nn(C)c(C)c1NC(=O)CC[N@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000036752057 570569759 /nfs/dbraw/zinc/56/97/59/570569759.db2.gz PVDRURWCKWAFKE-QGZVFWFLSA-N 1 1 394.523 3.197 40 0 GGABMO 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COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(n2cnc3cccnc32)CC1 ZINC000012114648 570610188 /nfs/dbraw/zinc/61/01/88/570610188.db2.gz KSWWBUSDXRWXDS-UHFFFAOYSA-N 1 1 399.882 3.369 40 0 GGABMO CCOc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)c(C)cc1OC ZINC000012117014 570611354 /nfs/dbraw/zinc/61/13/54/570611354.db2.gz NYHZTDDGJWYSDJ-VSOVRNOCSA-N 1 1 385.508 3.150 40 0 GGABMO COc1ccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000225742531 570612016 /nfs/dbraw/zinc/61/20/16/570612016.db2.gz PROKEYBEFDMYFA-UHFFFAOYSA-N 1 1 385.533 3.439 40 0 GGABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@@H+](Cc3cccnc3)C1)O2 ZINC000012135324 570613960 /nfs/dbraw/zinc/61/39/60/570613960.db2.gz MKUIEHCOGPDUOQ-AUSIDOKSSA-N 1 1 395.503 3.112 40 0 GGABMO O=C1CC[N@@H+](Cc2ccccc2)CCN1CCc1noc(-c2ccccc2)n1 ZINC000012146601 570616786 /nfs/dbraw/zinc/61/67/86/570616786.db2.gz QIZCZPJTDCVRSJ-UHFFFAOYSA-N 1 1 376.460 3.014 40 0 GGABMO COc1cccc2ccc(C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H](C)O)nc21 ZINC000012147965 570617323 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OKMMRKWAHKYQSH-NRFANRHFSA-N 1 1 393.487 3.432 40 0 GGABMO Cn1c2ccc(C[N@H+](Cc3cccc(F)c3)C[C@H]3CCCO3)cc2n(C)c1=O ZINC000012187159 570621262 /nfs/dbraw/zinc/62/12/62/570621262.db2.gz SASMJNIVZBQFMJ-LJQANCHMSA-N 1 1 383.467 3.197 40 0 GGABMO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(n2nnc3ccccc32)CC1 ZINC000004400253 570628816 /nfs/dbraw/zinc/62/88/16/570628816.db2.gz ZQHCKPUFNGIYJK-UHFFFAOYSA-N 1 1 399.882 3.369 40 0 GGABMO C[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4cccnc4)ncc32)C1 ZINC000012239964 570630135 /nfs/dbraw/zinc/63/01/35/570630135.db2.gz OUYPEXKSSSIRQA-VQIMIIECSA-N 1 1 393.535 3.400 40 0 GGABMO CCOc1ccccc1C[N@H+]1CCC[C@H](Cn2nnc(-c3cccnc3)n2)C1 ZINC000012276021 570631875 /nfs/dbraw/zinc/63/18/75/570631875.db2.gz REKAOKKGXQICLX-KRWDZBQOSA-N 1 1 378.480 3.046 40 0 GGABMO Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000004537449 570632110 /nfs/dbraw/zinc/63/21/10/570632110.db2.gz SRZVOGCKFADUOL-IFXJQAMLSA-N 1 1 394.523 3.399 40 0 GGABMO Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000004537449 570632111 /nfs/dbraw/zinc/63/21/11/570632111.db2.gz SRZVOGCKFADUOL-IFXJQAMLSA-N 1 1 394.523 3.399 40 0 GGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000044857172 570637253 /nfs/dbraw/zinc/63/72/53/570637253.db2.gz JROAODAWCDGSIT-OAHLLOKOSA-N 1 1 397.500 3.134 40 0 GGABMO S=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccc2c(c1)OCCO2 ZINC000046103125 570650839 /nfs/dbraw/zinc/65/08/39/570650839.db2.gz ALICYTYIRNACKM-UHFFFAOYSA-N 1 1 383.517 3.193 40 0 GGABMO C[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047276241 570653651 /nfs/dbraw/zinc/65/36/51/570653651.db2.gz FZIYSDJMYSHBEH-MRXNPFEDSA-N 1 1 388.895 3.256 40 0 GGABMO Cc1ccccc1NC(=O)NC1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000004981879 570655861 /nfs/dbraw/zinc/65/58/61/570655861.db2.gz LPYZIZBAZXMNHW-GOSISDBHSA-N 1 1 384.524 3.126 40 0 GGABMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CNC(=O)c1ccc(F)cc1 ZINC000036390833 570673493 /nfs/dbraw/zinc/67/34/93/570673493.db2.gz GTZMUWKXXGRAOA-QGZVFWFLSA-N 1 1 397.494 3.246 40 0 GGABMO Cc1nc2cc([C@H]3CC[N@@H+](CC(C)(C)C[NH+]4CCCCC4)C3)[n-]n2c(=O)c1C ZINC000012745647 570708034 /nfs/dbraw/zinc/70/80/34/570708034.db2.gz ODJHUILWONQHSY-SFHVURJKSA-N 1 1 385.556 3.353 40 0 GGABMO CC(C)(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2nccs2)CC1 ZINC000025063725 570711884 /nfs/dbraw/zinc/71/18/84/570711884.db2.gz BZNSMNBYFFXKAW-INIZCTEOSA-N 1 1 375.538 3.003 40 0 GGABMO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000058165426 570713424 /nfs/dbraw/zinc/71/34/24/570713424.db2.gz MPFAKPMSMAGBCG-LADGPHEKSA-N 1 1 382.548 3.488 40 0 GGABMO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000058165425 570713552 /nfs/dbraw/zinc/71/35/52/570713552.db2.gz MPFAKPMSMAGBCG-ISKFKSNPSA-N 1 1 382.548 3.488 40 0 GGABMO c1ccc([C@@]23CN(Cc4cccnc4)C[C@@H]2C[N@@H+](C[C@@H]2CCOC2)CC3)cc1 ZINC000247913149 570717307 /nfs/dbraw/zinc/71/73/07/570717307.db2.gz LYRWXWTWHFHLNQ-OEMFJLHTSA-N 1 1 377.532 3.194 40 0 GGABMO Cc1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOc2ncccc2F)no1 ZINC000247903096 570717367 /nfs/dbraw/zinc/71/73/67/570717367.db2.gz JCURNJHLVSIJNP-INIZCTEOSA-N 1 1 375.444 3.357 40 0 GGABMO CN(C)c1ncc2c(n1)[C@]1(CC[N@@H+](Cc3ccc(-c4ccccc4)o3)C1)COC2 ZINC000248072306 570720180 /nfs/dbraw/zinc/72/01/80/570720180.db2.gz BBOQXERKYIDVHX-QHCPKHFHSA-N 1 1 390.487 3.477 40 0 GGABMO COC[C@@H]1C[N@@H+](CC(C)C)CC12CCN(C(=O)Cc1ccccc1F)CC2 ZINC000248259123 570721960 /nfs/dbraw/zinc/72/19/60/570721960.db2.gz VRUUYECHKQXLMU-IBGZPJMESA-N 1 1 376.516 3.211 40 0 GGABMO COC[C@H]1C[N@@H+](CC(C)C)CC12CCN(C(=O)Cc1ccccc1F)CC2 ZINC000248259124 570722316 /nfs/dbraw/zinc/72/23/16/570722316.db2.gz VRUUYECHKQXLMU-LJQANCHMSA-N 1 1 376.516 3.211 40 0 GGABMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000059935871 570739704 /nfs/dbraw/zinc/73/97/04/570739704.db2.gz FLVOGZNIZMZRFN-SFHVURJKSA-N 1 1 389.858 3.110 40 0 GGABMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000059935871 570739707 /nfs/dbraw/zinc/73/97/07/570739707.db2.gz FLVOGZNIZMZRFN-SFHVURJKSA-N 1 1 389.858 3.110 40 0 GGABMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000059935869 570739986 /nfs/dbraw/zinc/73/99/86/570739986.db2.gz FLVOGZNIZMZRFN-GOSISDBHSA-N 1 1 389.858 3.110 40 0 GGABMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000059935869 570739987 /nfs/dbraw/zinc/73/99/87/570739987.db2.gz FLVOGZNIZMZRFN-GOSISDBHSA-N 1 1 389.858 3.110 40 0 GGABMO COc1cc2nc(C[N@H+]3CCC[C@@H]3Cc3ccccc3)[nH]c(=O)c2cc1OC ZINC000025440360 570752001 /nfs/dbraw/zinc/75/20/01/570752001.db2.gz XQJJGUBRZVKSGW-MRXNPFEDSA-N 1 1 379.460 3.147 40 0 GGABMO C[C@H](C1CC1)[N@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)Cc1ccccc1 ZINC000052617934 570756758 /nfs/dbraw/zinc/75/67/58/570756758.db2.gz UBIPWCQOYXMMFF-CQSZACIVSA-N 1 1 393.516 3.443 40 0 GGABMO C[C@H](C1CC1)[N@@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)Cc1ccccc1 ZINC000052617934 570756763 /nfs/dbraw/zinc/75/67/63/570756763.db2.gz UBIPWCQOYXMMFF-CQSZACIVSA-N 1 1 393.516 3.443 40 0 GGABMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000032739418 570785486 /nfs/dbraw/zinc/78/54/86/570785486.db2.gz UDCUAHYMWSJVII-KRWDZBQOSA-N 1 1 389.515 3.059 40 0 GGABMO C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000032738509 570790295 /nfs/dbraw/zinc/79/02/95/570790295.db2.gz OROGETFAGVPTLX-HZPDHXFCSA-N 1 1 375.513 3.271 40 0 GGABMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COc2ccc3ccc(=O)oc3c2)CC1 ZINC000031640272 570818917 /nfs/dbraw/zinc/81/89/17/570818917.db2.gz MCJXJNHZMOSWNP-KRWDZBQOSA-N 1 1 392.455 3.077 40 0 GGABMO CN1CC[N@@H+](CCCNC(=O)CCc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000033135566 570822078 /nfs/dbraw/zinc/82/20/78/570822078.db2.gz FKMFDFXWBNKASU-JOCHJYFZSA-N 1 1 383.511 3.253 40 0 GGABMO C[N@@H+]1CCN(CCCNC(=O)CCc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000033135566 570822081 /nfs/dbraw/zinc/82/20/81/570822081.db2.gz FKMFDFXWBNKASU-JOCHJYFZSA-N 1 1 383.511 3.253 40 0 GGABMO C[N@H+]1CCN(CCCNC(=O)CCc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000033135566 570822084 /nfs/dbraw/zinc/82/20/84/570822084.db2.gz FKMFDFXWBNKASU-JOCHJYFZSA-N 1 1 383.511 3.253 40 0 GGABMO Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000013454112 570847628 /nfs/dbraw/zinc/84/76/28/570847628.db2.gz SRZVOGCKFADUOL-KUHUBIRLSA-N 1 1 394.523 3.399 40 0 GGABMO c1cncc(C[N@H+](CCCN2CCOCC2)Cc2ccc3ncccc3c2)c1 ZINC000013569041 570850715 /nfs/dbraw/zinc/85/07/15/570850715.db2.gz SYNZCSREVSITGZ-UHFFFAOYSA-N 1 1 376.504 3.354 40 0 GGABMO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccc3c(c2)C[C@@H](C)O3)n1 ZINC000013992032 570868968 /nfs/dbraw/zinc/86/89/68/570868968.db2.gz GFXPYYOCXHYASD-WIYYLYMNSA-N 1 1 395.503 3.480 40 0 GGABMO O=C(CCN1CCC[N@@H+](CCC(=O)Nc2ccccc2)CC1)Nc1ccccc1 ZINC000032870874 570869092 /nfs/dbraw/zinc/86/90/92/570869092.db2.gz QCBXHSBVKPTHLR-UHFFFAOYSA-N 1 1 394.519 3.052 40 0 GGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccnn1[C@H]1CCCCO1)Cc1cccnc1 ZINC000257219712 570890097 /nfs/dbraw/zinc/89/00/97/570890097.db2.gz DHVVKSGVYXWJFQ-IFMALSPDSA-N 1 1 383.540 3.464 40 0 GGABMO CC(C)[N@H+]1CC[C@@H](CCc2ccc(NC(=O)c3ccc(=O)[nH]n3)cc2)[C@H](C)C1 ZINC000257223105 570890496 /nfs/dbraw/zinc/89/04/96/570890496.db2.gz DVWOIZTWUADTDU-SJLPKXTDSA-N 1 1 382.508 3.321 40 0 GGABMO CC(C)[N@H+]1CC[C@@H](CCc2ccc(NC(=O)c3ccc(=O)[nH]n3)cc2)[C@@H](C)C1 ZINC000257223104 570890547 /nfs/dbraw/zinc/89/05/47/570890547.db2.gz DVWOIZTWUADTDU-FUHWJXTLSA-N 1 1 382.508 3.321 40 0 GGABMO C[NH+](C)Cc1cc(C2CCN(C(=O)CCOc3ccc(Cl)cc3)CC2)[nH]n1 ZINC000019708932 570898586 /nfs/dbraw/zinc/89/85/86/570898586.db2.gz FPVIHZRTYQDZMC-UHFFFAOYSA-N 1 1 390.915 3.300 40 0 GGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccnn1[C@H]1CCCCO1)Cc1ccccn1 ZINC000257283761 570902691 /nfs/dbraw/zinc/90/26/91/570902691.db2.gz OZTWTTDLLHEPNA-IFMALSPDSA-N 1 1 383.540 3.464 40 0 GGABMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4nsnc4c3)cc2Cl)CC1 ZINC000017079196 570918019 /nfs/dbraw/zinc/91/80/19/570918019.db2.gz BLFLLQXUYLZKHI-UHFFFAOYSA-N 1 1 387.896 3.349 40 0 GGABMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@H]23)C1 ZINC000105369280 570922839 /nfs/dbraw/zinc/92/28/39/570922839.db2.gz COBANFXUQLODDA-UGLIKIROSA-N 1 1 387.520 3.496 40 0 biogenic GGABMO O=C(CN1C(=O)CC[C@]12CCC[N@@H+](CC1CCCCC1)CC2)N1CCCC1 ZINC000585100055 570923940 /nfs/dbraw/zinc/92/39/40/570923940.db2.gz DKLHIIGPXWOIPB-QFIPXVFZSA-N 1 1 375.557 3.036 40 0 GGABMO Cc1nc(CN2C(=O)CC[C@]23CCC[N@H+](Cc2nccs2)CC3)cs1 ZINC000585100561 570924519 /nfs/dbraw/zinc/92/45/19/570924519.db2.gz NOPZOYKMDNKEJC-SFHVURJKSA-N 1 1 376.551 3.455 40 0 GGABMO Cc1nc(CN2C(=O)CC[C@]23CCC[N@@H+](Cc2nccs2)CC3)cs1 ZINC000585100561 570924523 /nfs/dbraw/zinc/92/45/23/570924523.db2.gz NOPZOYKMDNKEJC-SFHVURJKSA-N 1 1 376.551 3.455 40 0 GGABMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)N1CCC[C@H]1CCO ZINC000575106486 570924644 /nfs/dbraw/zinc/92/46/44/570924644.db2.gz WMUJZGQKCNJZON-RJGXRXQPSA-N 1 1 393.531 3.211 40 0 GGABMO Cc1ncc(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3cncs3)CC2)s1 ZINC000585100701 570925323 /nfs/dbraw/zinc/92/53/23/570925323.db2.gz UBJDMGWKBVOHAD-SFHVURJKSA-N 1 1 376.551 3.455 40 0 GGABMO CC(C)[C@H](c1nnnn1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019446063 570925765 /nfs/dbraw/zinc/92/57/65/570925765.db2.gz ALOCAHYVXNIMPR-JOCHJYFZSA-N 1 1 390.535 3.236 40 0 GGABMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CN(c4ccc(=O)n(C)c4)C3=O)C2)cc1 ZINC000585099663 570925873 /nfs/dbraw/zinc/92/58/73/570925873.db2.gz VRDNPXXCINYVOP-QHCPKHFHSA-N 1 1 379.504 3.138 40 0 GGABMO CC(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019454644 570925965 /nfs/dbraw/zinc/92/59/65/570925965.db2.gz XQWJSOZLVUMIMF-OAQYLSRUSA-N 1 1 394.498 3.300 40 0 GGABMO C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCN(C(=O)CCc2cccnc2)CC3)C1 ZINC000585104077 570929985 /nfs/dbraw/zinc/92/99/85/570929985.db2.gz LIWQEBIXLADKBM-CTNGQTDRSA-N 1 1 385.552 3.144 40 0 GGABMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CC(=O)N([C@H](C)c3ccccc3)C2)C1 ZINC000585104061 570930170 /nfs/dbraw/zinc/93/01/70/570930170.db2.gz IGLVYDQRMDYHME-VGSWGCGISA-N 1 1 383.492 3.104 40 0 GGABMO COc1cccc2cc(C(=O)N3CCC[C@@]4(CC[N@H+]4C[C@@H]4CCCO4)C3)oc21 ZINC000585102339 570930642 /nfs/dbraw/zinc/93/06/42/570930642.db2.gz XJPRYEQKSNXINP-HTAPYJJXSA-N 1 1 384.476 3.301 40 0 GGABMO CC(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000585103488 570932200 /nfs/dbraw/zinc/93/22/00/570932200.db2.gz CKUFTBMRRQVSLC-IBGZPJMESA-N 1 1 384.442 3.412 40 0 GGABMO CC(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000585103488 570932204 /nfs/dbraw/zinc/93/22/04/570932204.db2.gz CKUFTBMRRQVSLC-IBGZPJMESA-N 1 1 384.442 3.412 40 0 GGABMO CC(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000585103492 570932228 /nfs/dbraw/zinc/93/22/28/570932228.db2.gz CKUFTBMRRQVSLC-LJQANCHMSA-N 1 1 384.442 3.412 40 0 GGABMO CC(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000585103492 570932229 /nfs/dbraw/zinc/93/22/29/570932229.db2.gz CKUFTBMRRQVSLC-LJQANCHMSA-N 1 1 384.442 3.412 40 0 GGABMO COc1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(Cc4ccccc4)C3)C2)c(F)c1 ZINC000585104535 570932921 /nfs/dbraw/zinc/93/29/21/570932921.db2.gz PGSGJUBMLFPTPC-QHCPKHFHSA-N 1 1 398.478 3.085 40 0 GGABMO COc1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(Cc4ccccc4)C3)C2)c(F)c1 ZINC000585104535 570932924 /nfs/dbraw/zinc/93/29/24/570932924.db2.gz PGSGJUBMLFPTPC-QHCPKHFHSA-N 1 1 398.478 3.085 40 0 GGABMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000060161973 570934336 /nfs/dbraw/zinc/93/43/36/570934336.db2.gz RUCGBJNJOYXTBO-KRWDZBQOSA-N 1 1 381.476 3.041 40 0 GGABMO O=S(=O)(c1cc(F)cc(F)c1)N1CC[C@H]2[C@@H](C[N@H+]2CC2CCCCC2)C1 ZINC000585108004 570939514 /nfs/dbraw/zinc/93/95/14/570939514.db2.gz SXTPYADENXMVCK-KXBFYZLASA-N 1 1 384.492 3.240 40 0 GGABMO CC[C@@H](c1nnnn1Cc1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020141776 570942038 /nfs/dbraw/zinc/94/20/38/570942038.db2.gz VZXJNWVVTQCPDC-IBGZPJMESA-N 1 1 382.537 3.052 40 0 GGABMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000225415314 570953261 /nfs/dbraw/zinc/95/32/61/570953261.db2.gz COHMKRIXOONGBH-SOLBZPMBSA-N 1 1 389.927 3.074 40 0 GGABMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000225420374 570953379 /nfs/dbraw/zinc/95/33/79/570953379.db2.gz ZYZUPOYQAQQFRW-GPMSIDNRSA-N 1 1 389.927 3.074 40 0 GGABMO C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025826567 570973965 /nfs/dbraw/zinc/97/39/65/570973965.db2.gz VWJXULOCPAFGMM-GOSISDBHSA-N 1 1 391.515 3.249 40 0 GGABMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000045232543 570988829 /nfs/dbraw/zinc/98/88/29/570988829.db2.gz IIWWBAUJOUJHHZ-QUCCMNQESA-N 1 1 383.540 3.463 40 0 GGABMO c1csc([C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)N2CCOCC2)c1 ZINC000023257800 570997891 /nfs/dbraw/zinc/99/78/91/570997891.db2.gz INYHDSLJLLDDHF-OAQYLSRUSA-N 1 1 385.577 3.376 40 0 GGABMO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000053139977 571003741 /nfs/dbraw/zinc/00/37/41/571003741.db2.gz KGHCWUVTCYSXDY-WOJBJXKFSA-N 1 1 395.547 3.263 40 0 GGABMO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000053139977 571003743 /nfs/dbraw/zinc/00/37/43/571003743.db2.gz KGHCWUVTCYSXDY-WOJBJXKFSA-N 1 1 395.547 3.263 40 0 GGABMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000012761239 571011468 /nfs/dbraw/zinc/01/14/68/571011468.db2.gz UDAZDFGNIYHMKH-FUHWJXTLSA-N 1 1 383.467 3.354 40 0 GGABMO Cc1nc2c(C)cccn2c1C(=O)N[C@@H](CC[NH+]1CCOCC1)c1ccccc1 ZINC000019716776 571038637 /nfs/dbraw/zinc/03/86/37/571038637.db2.gz CFOCZSGPFNJSIF-FQEVSTJZSA-N 1 1 392.503 3.145 40 0 GGABMO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000011436105 571046069 /nfs/dbraw/zinc/04/60/69/571046069.db2.gz RGQNUHSEWXKEGH-LBPRGKRZSA-N 1 1 378.375 3.476 40 0 GGABMO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000011436105 571046070 /nfs/dbraw/zinc/04/60/70/571046070.db2.gz RGQNUHSEWXKEGH-LBPRGKRZSA-N 1 1 378.375 3.476 40 0 GGABMO CC[C@@]12CCC[N@H+]3CC[C@@]4(c5ccccc5N(C(C)=O)[C@H]4[C@H](C(=O)OC)C1)[C@@H]32 ZINC000004082116 1398378490 /nfs/dbraw/zinc/37/84/90/1398378490.db2.gz DHHMVJWGDXKKSV-QFCHGCLKSA-N 1 1 382.504 3.117 40 0 biogenic GGABMO O=C(Nc1ccccc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298362 1398821318 /nfs/dbraw/zinc/82/13/18/1398821318.db2.gz BJNYRTYNCDMDLK-NRSPTQNISA-N 1 1 387.487 3.294 40 0 biogenic,in-vitro GGABMO Cc1ccc(C)c(NC(=O)COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2)c1 ZINC000008369959 1398826848 /nfs/dbraw/zinc/82/68/48/1398826848.db2.gz YDHBDYAJGYNKHD-UHFFFAOYSA-N 1 1 397.544 3.244 40 0 GGABMO CC[N@@H+](CC(=O)Nc1ccccc1OC)C[C@@H](O)COc1c(C)cccc1C ZINC000008726942 1398845071 /nfs/dbraw/zinc/84/50/71/1398845071.db2.gz QXNVSBOWFNFCAO-GOSISDBHSA-N 1 1 386.492 3.012 40 0 GGABMO CC[N@H+](CC(=O)Nc1ccccc1OC)C[C@@H](O)COc1c(C)cccc1C ZINC000008726942 1398845073 /nfs/dbraw/zinc/84/50/73/1398845073.db2.gz QXNVSBOWFNFCAO-GOSISDBHSA-N 1 1 386.492 3.012 40 0 GGABMO CC(=O)NCCn1nc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000012219509 1399034310 /nfs/dbraw/zinc/03/43/10/1399034310.db2.gz GGBFITWPTUYOER-SFHVURJKSA-N 1 1 395.482 3.086 40 0 GGABMO C[C@@H](CC[N@H+]1CC[C@@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1)c1ccccc1 ZINC000012365924 1399040087 /nfs/dbraw/zinc/04/00/87/1399040087.db2.gz IRUCFYGRANCSFQ-PKOBYXMFSA-N 1 1 382.508 3.002 40 0 GGABMO COc1ncc([C@]2(O)CCC[C@@H]3C[N@@H+](Cc4ccc(C)c(C)c4)C[C@@H]32)c(OC)n1 ZINC000019213917 1399328593 /nfs/dbraw/zinc/32/85/93/1399328593.db2.gz JKNLEMGEANHSQG-QMHWCDLVSA-N 1 1 397.519 3.230 40 0 GGABMO Cc1[nH+]ccn1CCC(=O)N1CC[C@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1 ZINC000019704692 1399335380 /nfs/dbraw/zinc/33/53/80/1399335380.db2.gz KIYZAASRBBJZFS-INIZCTEOSA-N 1 1 397.454 3.039 40 0 GGABMO CC(=O)N[C@@H]1C[N@@H+](CCC2=C(C)CCCC2(C)C)C2(C1)CCN(C(C)=O)CC2 ZINC000019704199 1399335398 /nfs/dbraw/zinc/33/53/98/1399335398.db2.gz GFWIGJABVKCRNG-FQEVSTJZSA-N 1 1 389.584 3.495 40 0 GGABMO CC[N@@H+](Cc1ccnc(N2CCCC2)n1)[C@@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019703898 1399335652 /nfs/dbraw/zinc/33/56/52/1399335652.db2.gz MHSQKJDYYHFUCF-FQEVSTJZSA-N 1 1 385.556 3.222 40 0 GGABMO CNc1ncc(C(=O)N2CCCCC[C@@H]3[C@@H]2C[C@@H](Cc2ccccc2)[N@H+]3C)cn1 ZINC000019712883 1399336599 /nfs/dbraw/zinc/33/65/99/1399336599.db2.gz QNBSLJKIJDHLLT-NJYVYQBISA-N 1 1 393.535 3.219 40 0 GGABMO CC[N@@H+](C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)c3cnccn3)CC2)C1 ZINC000019712754 1399336613 /nfs/dbraw/zinc/33/66/13/1399336613.db2.gz FTWCUKLBFIEZFW-FPOVZHCZSA-N 1 1 394.519 3.323 40 0 GGABMO CCN(CC)C(=O)C[N@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1cccc(C)c1 ZINC000019713359 1399336658 /nfs/dbraw/zinc/33/66/58/1399336658.db2.gz FAUOKPBILKOJKH-RTWAWAEBSA-N 1 1 385.552 3.209 40 0 GGABMO CCN1C(=O)CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc(-c2ccc(OC)cc2)nc1 ZINC000019713134 1399336678 /nfs/dbraw/zinc/33/66/78/1399336678.db2.gz XXJLINKSDPTAOL-WOJBJXKFSA-N 1 1 380.492 3.128 40 0 GGABMO COc1cccc(CN2C(=O)CCC[C@@H]3[C@H]2CCN3c2cc(C)[nH+]c(C)n2)c1 ZINC000019713276 1399336747 /nfs/dbraw/zinc/33/67/47/1399336747.db2.gz HZRMLPDRRADVQM-WOJBJXKFSA-N 1 1 380.492 3.262 40 0 GGABMO CC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)[N@@H+]2Cc1ccnn1C ZINC000019713639 1399337538 /nfs/dbraw/zinc/33/75/38/1399337538.db2.gz ZYKWSTBIAMADRA-ZLNRFVROSA-N 1 1 380.536 3.397 40 0 GGABMO CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020139244 1399342572 /nfs/dbraw/zinc/34/25/72/1399342572.db2.gz CHQFGXHZCZGOLS-OAQYLSRUSA-N 1 1 390.535 3.335 40 0 GGABMO CC(=O)Nc1sc2c(c1[C@H](c1ccccn1)N1CC[NH+](C)CC1)CCCC2 ZINC000020192211 1399343891 /nfs/dbraw/zinc/34/38/91/1399343891.db2.gz MSDGNMMYVMSQEX-FQEVSTJZSA-N 1 1 384.549 3.317 40 0 GGABMO CC(C)[N@@H+]1C=C(Cc2cccnc2)C2=C(C1)[C@@H](c1cccnc1)C(C#N)=C(N)O2 ZINC000020459274 1399347342 /nfs/dbraw/zinc/34/73/42/1399347342.db2.gz XNAYCMLCXNHTJB-NRFANRHFSA-N 1 1 385.471 3.389 40 0 GGABMO O=C(CCc1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005376 1399361057 /nfs/dbraw/zinc/36/10/57/1399361057.db2.gz QGEIQKUCTCHCDO-UHFFFAOYSA-N 1 1 376.460 3.014 40 0 GGABMO C[N@@H+](CCCNC(=O)CCc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC000021939098 1399426071 /nfs/dbraw/zinc/42/60/71/1399426071.db2.gz JFVOLUGMRLRHIG-UHFFFAOYSA-N 1 1 376.504 3.443 40 0 GGABMO O=C(Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)OCO2 ZINC000022348474 1399455674 /nfs/dbraw/zinc/45/56/74/1399455674.db2.gz TWHZNZIUTNAYQF-IHWFROFDSA-N 1 1 378.472 3.270 40 0 GGABMO O[C@H](COc1ccccc1F)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022461812 1399466375 /nfs/dbraw/zinc/46/63/75/1399466375.db2.gz JDGSPRSUCIRJFX-SFHVURJKSA-N 1 1 378.875 3.037 40 0 GGABMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)N2CCCCC2)cc1 ZINC000026772235 1399932369 /nfs/dbraw/zinc/93/23/69/1399932369.db2.gz LHMSIOPVCHUMCJ-AKIFATBCSA-N 1 1 386.536 3.376 40 0 biogenic GGABMO O[C@@](CC[NH+]1CCOCC1)(c1ccccc1)c1ccc(Br)cc1 ZINC000027346435 1400022523 /nfs/dbraw/zinc/02/25/23/1400022523.db2.gz DBWUYRVMFMOSFV-IBGZPJMESA-N 1 1 376.294 3.407 40 0 GGABMO Cc1cc(C)n(C2=[NH+]c3sc4c(c3[C@@H](NC[C@@H]3CCCO3)N2)CCCC4)n1 ZINC000028286501 1400147078 /nfs/dbraw/zinc/14/70/78/1400147078.db2.gz SYQLRZZLESEJIG-KSSFIOAISA-N 1 1 385.537 3.346 40 0 GGABMO O[C@@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000029630660 1400326138 /nfs/dbraw/zinc/32/61/38/1400326138.db2.gz UZZHWPINYOTGTA-AUSIDOKSSA-N 1 1 384.495 3.403 40 0 GGABMO CC[C@@H](CNC(=O)c1cc2ccccc2oc1=O)[N@H+]1CCc2ccccc2C1 ZINC000029909558 1400376179 /nfs/dbraw/zinc/37/61/79/1400376179.db2.gz FBSKPWVPBBQMDY-IBGZPJMESA-N 1 1 376.456 3.360 40 0 GGABMO CC(C)NC(=O)Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000057169566 1407543136 /nfs/dbraw/zinc/54/31/36/1407543136.db2.gz XLRSLVZGPXEWFK-OAQYLSRUSA-N 1 1 379.504 3.357 40 0 GGABMO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000057530608 1407643898 /nfs/dbraw/zinc/64/38/98/1407643898.db2.gz QUDVKDCFGZBIDD-INIZCTEOSA-N 1 1 396.466 3.083 40 0 GGABMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000057530608 1407643902 /nfs/dbraw/zinc/64/39/02/1407643902.db2.gz QUDVKDCFGZBIDD-INIZCTEOSA-N 1 1 396.466 3.083 40 0 GGABMO CC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1 ZINC000058148978 1407789629 /nfs/dbraw/zinc/78/96/29/1407789629.db2.gz QNGZAEZTFNGKQG-UHFFFAOYSA-N 1 1 390.487 3.326 40 0 GGABMO CC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)CC1 ZINC000058148840 1407789689 /nfs/dbraw/zinc/78/96/89/1407789689.db2.gz GQGOMNXIFKCJAP-UHFFFAOYSA-N 1 1 390.487 3.326 40 0 GGABMO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CC[NH+]2CCOCC2)cc1 ZINC000095116054 1410309165 /nfs/dbraw/zinc/30/91/65/1410309165.db2.gz IUWNXQGVENTKME-JOCHJYFZSA-N 1 1 393.487 3.095 40 0 GGABMO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(OCC)c(OC)c3)[nH]2)cc1OC ZINC000095534347 1410315158 /nfs/dbraw/zinc/31/51/58/1410315158.db2.gz FQLXHIZBDSBJQN-IBGZPJMESA-N 1 1 398.463 3.334 40 0 GGABMO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(OC)c(OCC)c3)[nH]2)cc1OC ZINC000095534343 1410315173 /nfs/dbraw/zinc/31/51/73/1410315173.db2.gz GPPCEWCNEDGKPF-LJQANCHMSA-N 1 1 398.463 3.334 40 0 GGABMO COC[C@@H](C)NC(=O)c1c(C)n([C@@H]2CCC[N@H+](C(C)C)C2)nc1C(F)(F)F ZINC000105684172 1411100342 /nfs/dbraw/zinc/10/03/42/1411100342.db2.gz LNZPAJRPFVUUKF-TZMCWYRMSA-N 1 1 390.450 3.020 40 0 GGABMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000189982598 1432299062 /nfs/dbraw/zinc/29/90/62/1432299062.db2.gz IUEVEVGVLOOHPE-MRXNPFEDSA-N 1 1 390.553 3.371 40 0 GGABMO CCOC[C@@]1([NH3+])[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218125227 1433364902 /nfs/dbraw/zinc/36/49/02/1433364902.db2.gz VCSUKTCYPJFIGQ-GBESFXJTSA-N 1 1 395.908 3.022 40 0 GGABMO COc1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)on1 ZINC000225424488 1433367072 /nfs/dbraw/zinc/36/70/72/1433367072.db2.gz PDYCKIIQSXGZGL-ODULNIPZSA-N 1 1 385.508 3.037 40 0 GGABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000242688015 1433447162 /nfs/dbraw/zinc/44/71/62/1433447162.db2.gz VCSUKTCYPJFIGQ-QRVBRYPASA-N 1 1 395.908 3.022 40 0 GGABMO FC(F)(F)c1cccc(N2CC[NH+](C3CCN(C[C@H]4CCCO4)CC3)CC2)c1 ZINC000245015242 1433453399 /nfs/dbraw/zinc/45/33/99/1433453399.db2.gz LSPICOMOFJBWKG-HXUWFJFHSA-N 1 1 397.485 3.471 40 0 GGABMO COc1ncc([C@]2(O)CCC[C@@H]3C[N@@H+](Cc4ccc(C)c(C)c4)C[C@H]32)c(OC)n1 ZINC000247904685 1433756037 /nfs/dbraw/zinc/75/60/37/1433756037.db2.gz JKNLEMGEANHSQG-KKLQWCBXSA-N 1 1 397.519 3.230 40 0 GGABMO C[C@H]1CCC[N@@H+](CC(=O)N[C@H]2CC(C)(C)Cc3nc(-c4cccnc4)ncc32)C1 ZINC000247924486 1433756526 /nfs/dbraw/zinc/75/65/26/1433756526.db2.gz OUYPEXKSSSIRQA-LPHOPBHVSA-N 1 1 393.535 3.400 40 0 GGABMO C[N@@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(Cc2ccccn2)CC1 ZINC000248148602 1433774669 /nfs/dbraw/zinc/77/46/69/1433774669.db2.gz SOHGOSRBINNGGA-GCJKJVERSA-N 1 1 396.510 3.392 40 0 GGABMO C[N@H+]1C[C@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(Cc2ccccn2)CC1 ZINC000248148602 1433774673 /nfs/dbraw/zinc/77/46/73/1433774673.db2.gz SOHGOSRBINNGGA-GCJKJVERSA-N 1 1 396.510 3.392 40 0 GGABMO c1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2Cc2ccccc2)n([C@H]2CCCCO2)n1 ZINC000253595655 1433869794 /nfs/dbraw/zinc/86/97/94/1433869794.db2.gz HCPCHQYHDOIJNV-ACIOBRDBSA-N 1 1 380.536 3.474 40 0 GGABMO COc1cc(OC)cc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC000264241507 1434086469 /nfs/dbraw/zinc/08/64/69/1434086469.db2.gz ZHZQHVNBCLVKNO-UHFFFAOYSA-N 1 1 380.488 3.367 40 0 GGABMO NC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039773228 230929046 /nfs/dbraw/zinc/92/90/46/230929046.db2.gz WWLMGVMMKXBAMD-UHFFFAOYSA-N 1 1 389.858 3.429 40 0 GGABMO CN(C)C(=O)c1sc2nc([C@H]3CCC[N@H+]3Cc3ccccn3)ccc2c1N ZINC000257266604 222766717 /nfs/dbraw/zinc/76/67/17/222766717.db2.gz MDRLDEPGUDPPHY-MRXNPFEDSA-N 1 1 381.505 3.312 40 0 GGABMO CCn1cc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cn1 ZINC000306137172 222800475 /nfs/dbraw/zinc/80/04/75/222800475.db2.gz QNMGGIKEIUWDHX-FQEVSTJZSA-N 1 1 387.491 3.387 40 0 GGABMO Fc1cccc(-c2cnc3c(N4CC[NH+](Cc5ccncc5)CC4)nccn23)c1 ZINC000306144802 222804182 /nfs/dbraw/zinc/80/41/82/222804182.db2.gz ZOYWEXDQLOQFDF-UHFFFAOYSA-N 1 1 388.450 3.253 40 0 GGABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2Cl)CC1 ZINC000001867175 212258807 /nfs/dbraw/zinc/25/88/07/212258807.db2.gz KKMCWZYHLZPBJD-UHFFFAOYSA-N 1 1 382.961 3.341 40 0 GGABMO CC(C)(C)OC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000014984859 212150362 /nfs/dbraw/zinc/15/03/62/212150362.db2.gz QQWWHPLYCKURHB-IRXDYDNUSA-N 1 1 391.512 3.289 40 0 GGABMO COC(=O)C1=CO[C@H](C)[C@H]2C[N@@H+]3CCc4c5cc(OC)ccc5[nH]c4[C@@H]3C[C@H]12 ZINC000014855890 212116412 /nfs/dbraw/zinc/11/64/12/212116412.db2.gz DTDADHMBRZKXSC-BWYUNELBSA-N 1 1 382.460 3.187 40 0 GGABMO COC(=O)C1=CO[C@H](C)[C@H]2C[N@H+]3CCc4c5cc(OC)ccc5[nH]c4[C@@H]3C[C@H]12 ZINC000014855890 212116416 /nfs/dbraw/zinc/11/64/16/212116416.db2.gz DTDADHMBRZKXSC-BWYUNELBSA-N 1 1 382.460 3.187 40 0 GGABMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2cc(C)cc(C)c2C)CC1 ZINC000023643366 212106173 /nfs/dbraw/zinc/10/61/73/212106173.db2.gz DWORFXUKEKKNPB-HXUWFJFHSA-N 1 1 384.520 3.182 40 0 GGABMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000023386575 212105469 /nfs/dbraw/zinc/10/54/69/212105469.db2.gz UVQCOWFTWXFEIF-LJQANCHMSA-N 1 1 384.520 3.381 40 0 GGABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+]3CCC(C)CC3)cc2c1 ZINC000000930085 220468123 /nfs/dbraw/zinc/46/81/23/220468123.db2.gz FHXWDOJKGKGBOR-LJQANCHMSA-N 1 1 394.523 3.399 40 0 GGABMO O=S(=O)(Cc1ccccc1)c1nc2ccccc2n1CC[NH+]1CCCCC1 ZINC000004304946 220703730 /nfs/dbraw/zinc/70/37/30/220703730.db2.gz SWEYNNCTULIMRR-UHFFFAOYSA-N 1 1 383.517 3.496 40 0 GGABMO CCOc1ccc(C[N@H+](C)CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000007592645 221002454 /nfs/dbraw/zinc/00/24/54/221002454.db2.gz URVPWJQOUWAKKI-UHFFFAOYSA-N 1 1 397.519 3.231 40 0 GGABMO CCOc1ccc(C[N@@H+](C)CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000007592645 221002458 /nfs/dbraw/zinc/00/24/58/221002458.db2.gz URVPWJQOUWAKKI-UHFFFAOYSA-N 1 1 397.519 3.231 40 0 GGABMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)NCc1cccc(Cl)c1 ZINC000008004406 221023969 /nfs/dbraw/zinc/02/39/69/221023969.db2.gz CWLAINGVTFKQHK-UHFFFAOYSA-N 1 1 385.895 3.307 40 0 GGABMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)NCc1ccccc1Cl ZINC000008004195 221024089 /nfs/dbraw/zinc/02/40/89/221024089.db2.gz QGHZXQQGJSHIAL-UHFFFAOYSA-N 1 1 385.895 3.307 40 0 GGABMO COC(=O)C1C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000008815950 221059766 /nfs/dbraw/zinc/05/97/66/221059766.db2.gz ONLUHYGSYJISHX-MDOVXXIYSA-N 1 1 385.508 3.062 40 0 GGABMO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000008532565 221043867 /nfs/dbraw/zinc/04/38/67/221043867.db2.gz RTXYVMUHQAQEIA-OAHLLOKOSA-N 1 1 389.883 3.065 40 0 GGABMO O=S(=O)(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000008663438 221049066 /nfs/dbraw/zinc/04/90/66/221049066.db2.gz IIDRPSSKFQUUIN-MRXNPFEDSA-N 1 1 395.322 3.002 40 0 GGABMO O=S(=O)(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000008663438 221049069 /nfs/dbraw/zinc/04/90/69/221049069.db2.gz IIDRPSSKFQUUIN-MRXNPFEDSA-N 1 1 395.322 3.002 40 0 GGABMO O=C([C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1)N1CCCC1 ZINC000008728025 221052131 /nfs/dbraw/zinc/05/21/31/221052131.db2.gz BKMIDTVFEJHUSZ-QFIPXVFZSA-N 1 1 377.488 3.267 40 0 GGABMO CC[N@@H+](CC(=O)Nc1ccccc1OC)C[C@H](O)COc1c(C)cccc1C ZINC000008726941 221053084 /nfs/dbraw/zinc/05/30/84/221053084.db2.gz QXNVSBOWFNFCAO-SFHVURJKSA-N 1 1 386.492 3.012 40 0 GGABMO CC[N@H+](CC(=O)Nc1ccccc1OC)C[C@H](O)COc1c(C)cccc1C ZINC000008726941 221053086 /nfs/dbraw/zinc/05/30/86/221053086.db2.gz QXNVSBOWFNFCAO-SFHVURJKSA-N 1 1 386.492 3.012 40 0 GGABMO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccnc4ccccc24)CC3)CC1 ZINC000012117870 221151669 /nfs/dbraw/zinc/15/16/69/221151669.db2.gz BROYIGVJEMJVLK-UHFFFAOYSA-N 1 1 389.503 3.113 40 0 GGABMO COc1ccc(-c2n[nH]cc2C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](C)O)cc1 ZINC000012116729 221152130 /nfs/dbraw/zinc/15/21/30/221152130.db2.gz QMSYSSJPABCLID-OAHLLOKOSA-N 1 1 395.459 3.197 40 0 GGABMO CCCc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2ccc4ncccc42)C3)cn1 ZINC000012134408 221157282 /nfs/dbraw/zinc/15/72/82/221157282.db2.gz DLYJOXQKBJXFIZ-LIMIJEPZSA-N 1 1 391.519 3.337 40 0 GGABMO O=C1CCCN1c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc1 ZINC000012135133 221157547 /nfs/dbraw/zinc/15/75/47/221157547.db2.gz QJBNXIYTKGCGGW-VXMMSVGHSA-N 1 1 391.515 3.328 40 0 GGABMO COCc1ccc(OC)c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c1 ZINC000012135041 221157946 /nfs/dbraw/zinc/15/79/46/221157946.db2.gz ZNXHEAPNVLPRIZ-TYABSZSSSA-N 1 1 382.504 3.356 40 0 GGABMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc2ccnc(-c3cccc(OC)c3)c21 ZINC000012134730 221158094 /nfs/dbraw/zinc/15/80/94/221158094.db2.gz BMTJOWYSINOEIE-IBGZPJMESA-N 1 1 392.503 3.312 40 0 GGABMO Cc1[nH+]ccn1CCC1CCN(C(=O)c2cccc(N3CCCC3=O)c2)CC1 ZINC000012147509 221160598 /nfs/dbraw/zinc/16/05/98/221160598.db2.gz SVOQTYKMYCGXBB-UHFFFAOYSA-N 1 1 380.492 3.261 40 0 GGABMO Cc1ccc(C2(O)CC[NH+](CCNC(=O)c3cc4c(s3)CCC4)CC2)cc1 ZINC000012291110 221175024 /nfs/dbraw/zinc/17/50/24/221175024.db2.gz OROCQHPVZWBEEO-UHFFFAOYSA-N 1 1 384.545 3.259 40 0 GGABMO CCC[N@H+]1C[C@H](NC(=O)Cc2ccccc2OC)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364768 221184732 /nfs/dbraw/zinc/18/47/32/221184732.db2.gz LULIWARRWHSWBQ-RTWAWAEBSA-N 1 1 382.504 3.241 40 0 GGABMO COc1ccccc1/C=C\C[N@H+]1CC[C@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1 ZINC000012365897 221185022 /nfs/dbraw/zinc/18/50/22/221185022.db2.gz IQAJQLUUSZNIBX-POZKEBTKSA-N 1 1 380.492 3.294 40 0 GGABMO CCC[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)OCCO3)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364763 221185205 /nfs/dbraw/zinc/18/52/05/221185205.db2.gz OLOKCHUNDFGEJS-UXHICEINSA-N 1 1 396.487 3.074 40 0 GGABMO CC(C)(CN1CC[C@@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1)C[NH+]1CCCCC1 ZINC000012365900 221185286 /nfs/dbraw/zinc/18/52/86/221185286.db2.gz WMMKJPVPDLJFNN-GOSISDBHSA-N 1 1 387.572 3.084 40 0 GGABMO C[C@@H]1CCCC[N@H+]1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182684 221162352 /nfs/dbraw/zinc/16/23/52/221162352.db2.gz OJYKZZLTTOYSOY-FHLIZLRMSA-N 1 1 388.512 3.261 40 0 GGABMO C[C@H]1CCCC[N@H+]1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182687 221162863 /nfs/dbraw/zinc/16/28/63/221162863.db2.gz OJYKZZLTTOYSOY-JCGIZDLHSA-N 1 1 388.512 3.261 40 0 GGABMO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2cc3c(cc2C)OCO3)n1 ZINC000012186013 221163581 /nfs/dbraw/zinc/16/35/81/221163581.db2.gz JZJMZBPBMFLKFO-LJQANCHMSA-N 1 1 397.475 3.193 40 0 GGABMO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccc4cccnc42)CC3)CC1 ZINC000012185083 221163881 /nfs/dbraw/zinc/16/38/81/221163881.db2.gz HAZQSQMHLUCENV-UHFFFAOYSA-N 1 1 389.503 3.113 40 0 GGABMO C[C@H](O)C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc2c(c1)OCO2 ZINC000012185784 221163917 /nfs/dbraw/zinc/16/39/17/221163917.db2.gz IFJFUFRJVXKPEZ-HNNXBMFYSA-N 1 1 383.423 3.123 40 0 GGABMO C[C@H](O)C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc2c(c1)OCO2 ZINC000012185784 221163918 /nfs/dbraw/zinc/16/39/18/221163918.db2.gz IFJFUFRJVXKPEZ-HNNXBMFYSA-N 1 1 383.423 3.123 40 0 GGABMO C[C@@H](O)C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc2c(c1)OCO2 ZINC000012185780 221164110 /nfs/dbraw/zinc/16/41/10/221164110.db2.gz IFJFUFRJVXKPEZ-OAHLLOKOSA-N 1 1 383.423 3.123 40 0 GGABMO C[C@@H](O)C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc2c(c1)OCO2 ZINC000012185780 221164113 /nfs/dbraw/zinc/16/41/13/221164113.db2.gz IFJFUFRJVXKPEZ-OAHLLOKOSA-N 1 1 383.423 3.123 40 0 GGABMO CCn1cc[nH+]c1N1CCN(C(=O)c2c(C)onc2-c2ccccc2Cl)CC1 ZINC000012444629 221196647 /nfs/dbraw/zinc/19/66/47/221196647.db2.gz MFGMCVYSKSSHBC-UHFFFAOYSA-N 1 1 399.882 3.482 40 0 GGABMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1F ZINC000012772189 221229561 /nfs/dbraw/zinc/22/95/61/221229561.db2.gz FSXCVEOEGOURDX-UHFFFAOYSA-N 1 1 385.439 3.129 40 0 GGABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1Br ZINC000012995238 221254098 /nfs/dbraw/zinc/25/40/98/221254098.db2.gz FQESSYSQWQMHAX-UHFFFAOYSA-N 1 1 389.293 3.211 40 0 GGABMO O=C(NC[C@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@@H]1OCOc2ccccc21 ZINC000013995992 221296428 /nfs/dbraw/zinc/29/64/28/221296428.db2.gz MBRGYORKLQJGCJ-DENIHFKCSA-N 1 1 380.488 3.165 40 0 GGABMO Cc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)[NH+](C)C)o1 ZINC000015860104 221349367 /nfs/dbraw/zinc/34/93/67/221349367.db2.gz STZQGOGPJXPAIC-OAHLLOKOSA-N 1 1 381.270 3.148 40 0 GGABMO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000016396513 221362080 /nfs/dbraw/zinc/36/20/80/221362080.db2.gz PPMHJFYTFXQOQM-GOSISDBHSA-N 1 1 379.504 3.350 40 0 GGABMO CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000017078007 221378010 /nfs/dbraw/zinc/37/80/10/221378010.db2.gz FICASSUTUHXFLJ-KRWDZBQOSA-N 1 1 381.524 3.337 40 0 GGABMO Cc1c(C[N@@H+]2CCO[C@@H](c3ccccc3)[C@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000017106663 221379252 /nfs/dbraw/zinc/37/92/52/221379252.db2.gz OOGNFQMTGRZRAB-XMSQKQJNSA-N 1 1 377.488 3.446 40 0 GGABMO COc1ccc(C)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019133417 221399223 /nfs/dbraw/zinc/39/92/23/221399223.db2.gz VEMZEDDWRGNQDD-BHYGNILZSA-N 1 1 391.466 3.498 40 0 GGABMO CC(C)c1ccccc1OCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217187 221389705 /nfs/dbraw/zinc/38/97/05/221389705.db2.gz UUTYXQCMORCSNM-UHFFFAOYSA-N 1 1 382.504 3.337 40 0 GGABMO CC(=O)N1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)CC1 ZINC000019016765 221394307 /nfs/dbraw/zinc/39/43/07/221394307.db2.gz IXJADFYWQXWKKJ-ZRBLBEILSA-N 1 1 397.563 3.114 40 0 GGABMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000019022532 221394713 /nfs/dbraw/zinc/39/47/13/221394713.db2.gz YGMDOKAMTHDHJX-INIZCTEOSA-N 1 1 391.475 3.339 40 0 GGABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000019022532 221394716 /nfs/dbraw/zinc/39/47/16/221394716.db2.gz YGMDOKAMTHDHJX-INIZCTEOSA-N 1 1 391.475 3.339 40 0 GGABMO COc1ccc(OC)c(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)c1 ZINC000019129215 221397383 /nfs/dbraw/zinc/39/73/83/221397383.db2.gz IVSCFHWNFKRHSE-HNNXBMFYSA-N 1 1 381.480 3.017 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc1OC ZINC000019129243 221397998 /nfs/dbraw/zinc/39/79/98/221397998.db2.gz DKTJJZOPFAJKBB-MRXNPFEDSA-N 1 1 381.480 3.017 40 0 GGABMO Cc1ccc(C)c([C@@H](O)C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000019132140 221398104 /nfs/dbraw/zinc/39/81/04/221398104.db2.gz NIODQWNXVBNZJD-AWEZNQCLSA-N 1 1 386.443 3.029 40 0 GGABMO C[NH2+]C1CCC2(CC1)CN(C(=O)c1cc(C(C)C)[nH]n1)Cc1ccccc1O2 ZINC000019451933 221414032 /nfs/dbraw/zinc/41/40/32/221414032.db2.gz WAFBRZTVIBPLEP-UHFFFAOYSA-N 1 1 382.508 3.469 40 0 GGABMO COc1ccc2nc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3nccn3C)ccc2c1 ZINC000019291393 221404962 /nfs/dbraw/zinc/40/49/62/221404962.db2.gz AMFUDAMFCBVORG-NHJWOMDBSA-N 1 1 392.503 3.097 40 0 GGABMO C/C(=C\c1ccccc1)C[N@H+]1CCc2c(=O)[nH]c(N3CCC(C)CC3)nc2C1 ZINC000072335655 533412259 /nfs/dbraw/zinc/41/22/59/533412259.db2.gz PLCNHQPUQCRAAW-NBVRZTHBSA-N 1 1 378.520 3.468 40 0 GGABMO C/C(=C\c1ccccc1)C[N@@H+]1CCc2c(=O)[nH]c(N3CCC(C)CC3)nc2C1 ZINC000072335655 533412264 /nfs/dbraw/zinc/41/22/64/533412264.db2.gz PLCNHQPUQCRAAW-NBVRZTHBSA-N 1 1 378.520 3.468 40 0 GGABMO Cc1cccc2cc(CNc3ccc([NH+]4CCC(C(N)=O)CC4)cc3)c(=O)[nH]c12 ZINC000013563085 136201319 /nfs/dbraw/zinc/20/13/19/136201319.db2.gz RQAVRAZOGPMYLR-UHFFFAOYSA-N 1 1 390.487 3.150 40 0 GGABMO CN1CCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cn2)CC1 ZINC000014521078 136201462 /nfs/dbraw/zinc/20/14/62/136201462.db2.gz NOXSVWSCRAACKK-UHFFFAOYSA-N 1 1 393.535 3.072 40 0 GGABMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@H+](C)Cc1ccccc1 ZINC000057474015 222033851 /nfs/dbraw/zinc/03/38/51/222033851.db2.gz ZYOLXUMELNQFHV-UHFFFAOYSA-N 1 1 386.521 3.116 40 0 GGABMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@@H+](C)Cc1ccccc1 ZINC000057474015 222033856 /nfs/dbraw/zinc/03/38/56/222033856.db2.gz ZYOLXUMELNQFHV-UHFFFAOYSA-N 1 1 386.521 3.116 40 0 GGABMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](C)c1ccc3c(c1)CCCC3)[nH]c2=O ZINC000049597293 222000317 /nfs/dbraw/zinc/00/03/17/222000317.db2.gz GETOPXQMZHCPNN-CQSZACIVSA-N 1 1 391.471 3.439 40 0 GGABMO COC(=O)C1C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000049946941 222003134 /nfs/dbraw/zinc/00/31/34/222003134.db2.gz QMNXGBKRHCNDKP-QEEYODRMSA-N 1 1 385.508 3.062 40 0 GGABMO COC(=O)C1=CO[C@H](C)[C@H]2C[N@@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@@H]3C[C@H]12 ZINC000055300969 222020730 /nfs/dbraw/zinc/02/07/30/222020730.db2.gz KXEMQEGRZWUKJS-VWHWKWRLSA-N 1 1 382.460 3.187 40 0 GGABMO COC(=O)C1=CO[C@H](C)[C@H]2C[N@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@@H]3C[C@H]12 ZINC000055300969 222020733 /nfs/dbraw/zinc/02/07/33/222020733.db2.gz KXEMQEGRZWUKJS-VWHWKWRLSA-N 1 1 382.460 3.187 40 0 GGABMO CCCOc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](CC)CC)cc1 ZINC000058066162 222039592 /nfs/dbraw/zinc/03/95/92/222039592.db2.gz FHQUGYZOJPNIRS-GOSISDBHSA-N 1 1 380.510 3.430 40 0 GGABMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)CC(F)(F)F)CC3)n2)cc1 ZINC000059403290 222058554 /nfs/dbraw/zinc/05/85/54/222058554.db2.gz CYWYSDHGUYHQKE-UHFFFAOYSA-N 1 1 396.413 3.074 40 0 GGABMO c1[nH]c2ccccc2c1CNC1(Cc2cc(C[NH+]3CCCCC3)on2)COC1 ZINC000067898427 222166623 /nfs/dbraw/zinc/16/66/23/222166623.db2.gz XROWAGPHISHNFH-UHFFFAOYSA-N 1 1 380.492 3.243 40 0 biogenic,in-vitro GGABMO COc1ccc(C[NH2+]C2(Cc3cc(-c4ccc(OC)cc4)on3)COC2)cc1 ZINC000067898338 222167106 /nfs/dbraw/zinc/16/71/06/222167106.db2.gz JUYZSOPUWWRTKU-UHFFFAOYSA-N 1 1 380.444 3.460 40 0 biogenic,in-vitro GGABMO COc1cccc(C[NH2+]C2(Cc3cc(COc4ccccc4)on3)COC2)c1 ZINC000067898174 222167154 /nfs/dbraw/zinc/16/71/54/222167154.db2.gz RVEFIHAWTHZDEF-UHFFFAOYSA-N 1 1 380.444 3.364 40 0 biogenic,in-vitro GGABMO Cc1ccc(C2(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CCOCC2)cc1 ZINC000072265181 222218490 /nfs/dbraw/zinc/21/84/90/222218490.db2.gz SVCFOHXSGKEOAZ-UHFFFAOYSA-N 1 1 378.516 3.388 40 0 GGABMO Cc1ncc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)cn1 ZINC000072330400 222228327 /nfs/dbraw/zinc/22/83/27/222228327.db2.gz AUUNEHWRMHNJAC-UNMCSNQZSA-N 1 1 393.535 3.440 40 0 GGABMO COc1ccc([C@H](O)C[N@@H+]2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)cc1 ZINC000072342772 222231436 /nfs/dbraw/zinc/23/14/36/222231436.db2.gz IEXWURUYVCYEQB-OAQYLSRUSA-N 1 1 378.476 3.177 40 0 GGABMO COc1cc(C[N@@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cc(OC)c1OC ZINC000072343254 222231610 /nfs/dbraw/zinc/23/16/10/222231610.db2.gz MCQBHAOIUWUGDG-YLJYHZDGSA-N 1 1 382.460 3.256 40 0 GGABMO COc1cc(C[N@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cc(OC)c1OC ZINC000072343254 222231614 /nfs/dbraw/zinc/23/16/14/222231614.db2.gz MCQBHAOIUWUGDG-YLJYHZDGSA-N 1 1 382.460 3.256 40 0 GGABMO COc1cc(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)cc(OC)c1OC ZINC000072343251 222231729 /nfs/dbraw/zinc/23/17/29/222231729.db2.gz MCQBHAOIUWUGDG-PXNSSMCTSA-N 1 1 382.460 3.256 40 0 GGABMO COc1cc(C[N@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)cc(OC)c1OC ZINC000072343251 222231732 /nfs/dbraw/zinc/23/17/32/222231732.db2.gz MCQBHAOIUWUGDG-PXNSSMCTSA-N 1 1 382.460 3.256 40 0 GGABMO COCCOc1ccc(C[N@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)cc1OC ZINC000072343288 222231769 /nfs/dbraw/zinc/23/17/69/222231769.db2.gz FSSMHCGNQLGSIG-SIKLNZKXSA-N 1 1 396.487 3.264 40 0 GGABMO COCCOc1ccc(C[N@@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)cc1OC ZINC000072343288 222231773 /nfs/dbraw/zinc/23/17/73/222231773.db2.gz FSSMHCGNQLGSIG-SIKLNZKXSA-N 1 1 396.487 3.264 40 0 GGABMO C=Cn1cc(CN2CCC3(CC2)Nc2ccccc2C2=[NH+]CCCN23)c(C)n1 ZINC000072342669 222232088 /nfs/dbraw/zinc/23/20/88/222232088.db2.gz LBYWAHYFHGZCPF-UHFFFAOYSA-N 1 1 376.508 3.162 40 0 GGABMO CCn1ncc(CN2CCC3(CC2)Nc2ccccc2C2=[NH+]CCCN23)c1C ZINC000072342666 222232195 /nfs/dbraw/zinc/23/21/95/222232195.db2.gz SBNBSTDDKYDWAO-UHFFFAOYSA-N 1 1 378.524 3.082 40 0 GGABMO C[C@@H](c1ccccc1F)n1cc(C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)nn1 ZINC000072341642 222232272 /nfs/dbraw/zinc/23/22/72/222232272.db2.gz HULMNITWFYQMMA-BBWFWOEESA-N 1 1 387.503 3.409 40 0 GGABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072344804 222233417 /nfs/dbraw/zinc/23/34/17/222233417.db2.gz ABJDRPXFCKXJIG-IBGZPJMESA-N 1 1 389.503 3.457 40 0 GGABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072344796 222233813 /nfs/dbraw/zinc/23/38/13/222233813.db2.gz XWJQSXRCVYVHEI-FQEVSTJZSA-N 1 1 389.503 3.457 40 0 GGABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000072354646 222237297 /nfs/dbraw/zinc/23/72/97/222237297.db2.gz XCNVPXPXQBOUQA-QGZVFWFLSA-N 1 1 387.915 3.385 40 0 GGABMO CNC(=O)c1cc([C@@H]2C[N@H+](CCc3ccccc3)CCO2)nc2ccccc21 ZINC000072352696 222237340 /nfs/dbraw/zinc/23/73/40/222237340.db2.gz WERHWALOHSERMY-QFIPXVFZSA-N 1 1 375.472 3.210 40 0 GGABMO CNC(=O)c1cc([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)nc2ccccc21 ZINC000072352696 222237342 /nfs/dbraw/zinc/23/73/42/222237342.db2.gz WERHWALOHSERMY-QFIPXVFZSA-N 1 1 375.472 3.210 40 0 GGABMO C[N@H+]1CCN(C(=O)CCc2ccc(F)cc2)C[C@@H](COCc2ccccc2)C1 ZINC000072354540 222237360 /nfs/dbraw/zinc/23/73/60/222237360.db2.gz QUJILQZCUCUAKV-NRFANRHFSA-N 1 1 384.495 3.365 40 0 GGABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000072352424 222237393 /nfs/dbraw/zinc/23/73/93/222237393.db2.gz KEHIRRKYUHDVGR-OAHLLOKOSA-N 1 1 399.560 3.499 40 0 GGABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000072352424 222237396 /nfs/dbraw/zinc/23/73/96/222237396.db2.gz KEHIRRKYUHDVGR-OAHLLOKOSA-N 1 1 399.560 3.499 40 0 GGABMO CNC(=O)c1cc([C@H]2C[N@H+](CCc3ccccc3)CCO2)nc2ccccc21 ZINC000072352697 222237509 /nfs/dbraw/zinc/23/75/09/222237509.db2.gz WERHWALOHSERMY-JOCHJYFZSA-N 1 1 375.472 3.210 40 0 GGABMO CNC(=O)c1cc([C@H]2C[N@@H+](CCc3ccccc3)CCO2)nc2ccccc21 ZINC000072352697 222237511 /nfs/dbraw/zinc/23/75/11/222237511.db2.gz WERHWALOHSERMY-JOCHJYFZSA-N 1 1 375.472 3.210 40 0 GGABMO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)c1 ZINC000072359063 222239477 /nfs/dbraw/zinc/23/94/77/222239477.db2.gz DYTGFQGQCVBJDV-LJQANCHMSA-N 1 1 390.491 3.215 40 0 GGABMO COc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000072359106 222239780 /nfs/dbraw/zinc/23/97/80/222239780.db2.gz HGGBIZOGTUWEQA-LJQANCHMSA-N 1 1 394.519 3.343 40 0 GGABMO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](C3CCOCC3)C2)c1 ZINC000072359075 222240054 /nfs/dbraw/zinc/24/00/54/222240054.db2.gz ZLOOSVGCMZEBGU-GOSISDBHSA-N 1 1 380.492 3.460 40 0 GGABMO COc1cccc(-c2cncc([C@@H]3CCC[N@H+](C4CCN(C(C)=O)CC4)C3)n2)c1 ZINC000072359789 222241040 /nfs/dbraw/zinc/24/10/40/222241040.db2.gz RYVKTZPZHCNIOS-LJQANCHMSA-N 1 1 394.519 3.343 40 0 GGABMO COc1ccccc1Oc1cncc([C@@H]2CCC[N@H+](Cc3cncn3C)C2)n1 ZINC000072363164 222241085 /nfs/dbraw/zinc/24/10/85/222241085.db2.gz PGZQFPOSYKJQMF-MRXNPFEDSA-N 1 1 379.464 3.391 40 0 GGABMO COc1ccccc1Oc1cncc([C@@H]2CCC[N@@H+](Cc3cncn3C)C2)n1 ZINC000072363164 222241087 /nfs/dbraw/zinc/24/10/87/222241087.db2.gz PGZQFPOSYKJQMF-MRXNPFEDSA-N 1 1 379.464 3.391 40 0 GGABMO C[N@H+]1CCn2c(nnc2[C@@H]2CCCN2C(=O)c2ccccc2-c2ccccc2)C1 ZINC000072373910 222241852 /nfs/dbraw/zinc/24/18/52/222241852.db2.gz ZRYUELZQYAYUTN-FQEVSTJZSA-N 1 1 387.487 3.368 40 0 GGABMO Cc1cc(-c2cnn(C)c2)cc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000072374643 222242271 /nfs/dbraw/zinc/24/22/71/222242271.db2.gz VCMLSFHBSHWCNS-MRXNPFEDSA-N 1 1 393.466 3.358 40 0 GGABMO Cc1cc(-c2cnn(C)c2)cc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000072374643 222242273 /nfs/dbraw/zinc/24/22/73/222242273.db2.gz VCMLSFHBSHWCNS-MRXNPFEDSA-N 1 1 393.466 3.358 40 0 GGABMO Cn1nccc1C[N@H+]1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000072371585 222242848 /nfs/dbraw/zinc/24/28/48/222242848.db2.gz UNQAHLCDCJGBQP-HNNXBMFYSA-N 1 1 385.899 3.408 40 0 GGABMO Cn1nccc1C[N@@H+]1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371585 222242851 /nfs/dbraw/zinc/24/28/51/222242851.db2.gz UNQAHLCDCJGBQP-HNNXBMFYSA-N 1 1 385.899 3.408 40 0 GGABMO Cn1nccc1C[N@H+]1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371585 222242856 /nfs/dbraw/zinc/24/28/56/222242856.db2.gz UNQAHLCDCJGBQP-HNNXBMFYSA-N 1 1 385.899 3.408 40 0 GGABMO Cn1nccc1C[N@H+]1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000072371589 222243160 /nfs/dbraw/zinc/24/31/60/222243160.db2.gz JYBZRZARBHYBSY-HNNXBMFYSA-N 1 1 385.899 3.408 40 0 GGABMO Cn1nccc1C[N@@H+]1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371589 222243164 /nfs/dbraw/zinc/24/31/64/222243164.db2.gz JYBZRZARBHYBSY-HNNXBMFYSA-N 1 1 385.899 3.408 40 0 GGABMO Cn1nccc1C[N@H+]1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371589 222243169 /nfs/dbraw/zinc/24/31/69/222243169.db2.gz JYBZRZARBHYBSY-HNNXBMFYSA-N 1 1 385.899 3.408 40 0 GGABMO CC(C)c1ccc(OCCc2cc([C@@H]3CC[N@@H+](CC(=O)N(C)C)C3)[nH]n2)cc1 ZINC000072371355 222243240 /nfs/dbraw/zinc/24/32/40/222243240.db2.gz HWKJZDBHBZJGGU-GOSISDBHSA-N 1 1 384.524 3.032 40 0 GGABMO CC(C)c1ccc(OCCc2cc([C@@H]3CC[N@H+](CC(=O)N(C)C)C3)n[nH]2)cc1 ZINC000072371355 222243243 /nfs/dbraw/zinc/24/32/43/222243243.db2.gz HWKJZDBHBZJGGU-GOSISDBHSA-N 1 1 384.524 3.032 40 0 GGABMO CC(C)c1ccc(OCCc2cc([C@@H]3CC[N@@H+](CC(=O)N(C)C)C3)n[nH]2)cc1 ZINC000072371355 222243246 /nfs/dbraw/zinc/24/32/46/222243246.db2.gz HWKJZDBHBZJGGU-GOSISDBHSA-N 1 1 384.524 3.032 40 0 GGABMO C[N@H+]1CCn2c(nnc2[C@@H]2CCCN2C(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC000072373906 222243367 /nfs/dbraw/zinc/24/33/67/222243367.db2.gz OIXIBYAWHZXXGC-SFHVURJKSA-N 1 1 397.498 3.038 40 0 GGABMO C[N@H+]1CCn2c(nnc2[C@@H]2CCCN2C(=O)C2(c3ccccc3F)CCCC2)C1 ZINC000072373904 222243394 /nfs/dbraw/zinc/24/33/94/222243394.db2.gz JVRZBSBEJZPRBM-SFHVURJKSA-N 1 1 397.498 3.038 40 0 GGABMO O=C(c1cc([C@H]2CCCC[N@H+]2CCCc2ccccc2)[nH]n1)N1CCOCC1 ZINC000072380626 222243909 /nfs/dbraw/zinc/24/39/09/222243909.db2.gz WIKMIRUDKXZDNI-OAQYLSRUSA-N 1 1 382.508 3.042 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@H](c3ccnc(Nc4cncnc4)n3)C2)cc1 ZINC000072377452 222244067 /nfs/dbraw/zinc/24/40/67/222244067.db2.gz IODWFVGCXCPVFO-KRWDZBQOSA-N 1 1 376.464 3.398 40 0 GGABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)COc2ccc(F)cc2)n1 ZINC000072378604 222244348 /nfs/dbraw/zinc/24/43/48/222244348.db2.gz KPRXQCNFVUVRAY-LJQANCHMSA-N 1 1 380.423 3.457 40 0 GGABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2)n1 ZINC000072378603 222244668 /nfs/dbraw/zinc/24/46/68/222244668.db2.gz KPRXQCNFVUVRAY-IBGZPJMESA-N 1 1 380.423 3.457 40 0 GGABMO CNc1cc(Nc2nccc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)ncn1 ZINC000072377569 222245201 /nfs/dbraw/zinc/24/52/01/222245201.db2.gz KOBPCSPUBSWRLQ-GOSISDBHSA-N 1 1 389.507 3.474 40 0 GGABMO CCN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(N)ncc1-c1ccc(F)cc1 ZINC000072376824 222245665 /nfs/dbraw/zinc/24/56/65/222245665.db2.gz GGCFBHFTZPBSLE-SFHVURJKSA-N 1 1 385.487 3.260 40 0 GGABMO CCN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1nc(N)ncc1-c1ccc(F)cc1 ZINC000072376824 222245670 /nfs/dbraw/zinc/24/56/70/222245670.db2.gz GGCFBHFTZPBSLE-SFHVURJKSA-N 1 1 385.487 3.260 40 0 GGABMO COc1ccc(CCC(=O)N2CCC[C@@H]2c2cncc(-n3cc[nH+]c3C)n2)cc1 ZINC000072378487 222245803 /nfs/dbraw/zinc/24/58/03/222245803.db2.gz UJJKVPABFBQQTJ-HXUWFJFHSA-N 1 1 391.475 3.276 40 0 GGABMO COc1cc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc(OC)c1OC ZINC000072389889 222246181 /nfs/dbraw/zinc/24/61/81/222246181.db2.gz LRUMIPZVIZQWJL-INIZCTEOSA-N 1 1 396.447 3.147 40 0 GGABMO COc1cc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc(OC)c1OC ZINC000072389890 222246225 /nfs/dbraw/zinc/24/62/25/222246225.db2.gz LRUMIPZVIZQWJL-MRXNPFEDSA-N 1 1 396.447 3.147 40 0 GGABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nc(C)cc(Oc4ccccc4)n3)C2)CC1 ZINC000072384366 222246269 /nfs/dbraw/zinc/24/62/69/222246269.db2.gz XUBUJPRHWSSZEP-SFHVURJKSA-N 1 1 380.492 3.378 40 0 GGABMO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+]([C@@H](C)Cc2ccc(F)cc2)C3)C1 ZINC000072390924 222247467 /nfs/dbraw/zinc/24/74/67/222247467.db2.gz JDSKFGJXMXGYBR-QFBILLFUSA-N 1 1 396.510 3.331 40 0 GGABMO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C[C@H](C)c2ccccc2)C3)C1 ZINC000072390912 222247488 /nfs/dbraw/zinc/24/74/88/222247488.db2.gz FHQIMSAPJSSYKM-FXAWDEMLSA-N 1 1 378.520 3.364 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 ZINC000072393202 222250873 /nfs/dbraw/zinc/25/08/73/222250873.db2.gz DNBNUMVPTYTQLP-KRWDZBQOSA-N 1 1 376.460 3.220 40 0 GGABMO COc1ccc(C[C@H](C)[N@H+]2CC[C@@]3(C2)CCc2ccccc2C(=O)N3)cc1OC ZINC000072395786 222251417 /nfs/dbraw/zinc/25/14/17/222251417.db2.gz BWJYBAXSNOVREG-BXKMTCNYSA-N 1 1 394.515 3.456 40 0 GGABMO COc1ccc(F)c(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c1 ZINC000072393263 222251530 /nfs/dbraw/zinc/25/15/30/222251530.db2.gz ONAIWUQGTMBXSP-OAHLLOKOSA-N 1 1 394.450 3.359 40 0 GGABMO O=c1cc([C@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)nc(-c2ccccn2)[nH]1 ZINC000072393243 222252377 /nfs/dbraw/zinc/25/23/77/222252377.db2.gz FTNJDQXYTPXINA-AWEZNQCLSA-N 1 1 382.414 3.490 40 0 GGABMO COc1ccc(Cl)cc1C(=O)N1CCC[N@@H+](CCn2nc(C)cc2C)CC1 ZINC000077196855 222275866 /nfs/dbraw/zinc/27/58/66/222275866.db2.gz CRTGJOHEMYMACI-UHFFFAOYSA-N 1 1 390.915 3.010 40 0 GGABMO COc1ccc(C[N@H+]2Cc3ccnn3C[C@H](COCc3ccccn3)C2)cc1 ZINC000096059251 222377375 /nfs/dbraw/zinc/37/73/75/222377375.db2.gz KYJSQPZATWCHKU-LJQANCHMSA-N 1 1 378.476 3.136 40 0 GGABMO COc1ccc(C[N@@H+]2Cc3ccnn3C[C@H](COCc3ccccn3)C2)cc1 ZINC000096059251 222377379 /nfs/dbraw/zinc/37/73/79/222377379.db2.gz KYJSQPZATWCHKU-LJQANCHMSA-N 1 1 378.476 3.136 40 0 GGABMO O=C(c1cccc2cccnc21)N1CCC[C@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096076309 222377422 /nfs/dbraw/zinc/37/74/22/222377422.db2.gz RCBIHLNFZMMBHH-QHCPKHFHSA-N 1 1 379.504 3.199 40 0 GGABMO CC(C)n1nc(C[NH+]2CCCC2)c2c1CN(C(=O)NCc1cccc(F)c1)CC2 ZINC000096084241 222378480 /nfs/dbraw/zinc/37/84/80/222378480.db2.gz MLCKIOTYKHGYDP-UHFFFAOYSA-N 1 1 399.514 3.467 40 0 GGABMO O=S1(=O)N[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)CC[C@@H]2Oc2ccccc21 ZINC000096145687 222388982 /nfs/dbraw/zinc/38/89/82/222388982.db2.gz AJCYSGUOOPRUNA-IRXDYDNUSA-N 1 1 392.908 3.044 40 0 GGABMO O=S1(=O)N[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)CC[C@@H]2Oc2ccccc21 ZINC000096145687 222388986 /nfs/dbraw/zinc/38/89/86/222388986.db2.gz AJCYSGUOOPRUNA-IRXDYDNUSA-N 1 1 392.908 3.044 40 0 GGABMO C[N@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)c3ccccc3)CC[C@@H]12 ZINC000096145271 222390028 /nfs/dbraw/zinc/39/00/28/222390028.db2.gz RTKQVUCCXCPOHW-NFBKMPQASA-N 1 1 377.488 3.252 40 0 GGABMO O=C(NC1CCCC1)c1ccc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000096156147 222392993 /nfs/dbraw/zinc/39/29/93/222392993.db2.gz RHUWPOKWSRVZPP-GOSISDBHSA-N 1 1 389.503 3.391 40 0 GGABMO Cc1cncc(C(=O)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC000096221016 222398295 /nfs/dbraw/zinc/39/82/95/222398295.db2.gz GHMBFACAEKCHRM-NRFANRHFSA-N 1 1 379.504 3.286 40 0 GGABMO CC[N@@H+](C)[C@@H]1COC2(C1)CCN(S(=O)(=O)c1ccc(C(C)C)cc1)CC2 ZINC000096220816 222398484 /nfs/dbraw/zinc/39/84/84/222398484.db2.gz BLKFMZIDHJKUIY-SFHVURJKSA-N 1 1 380.554 3.074 40 0 GGABMO Cc1ccsc1C(=O)N1CCC2(CC1)C(=O)N(C)CC[N@@H+]2Cc1ccccc1 ZINC000096230325 222399377 /nfs/dbraw/zinc/39/93/77/222399377.db2.gz HUAYODROFOPUIB-UHFFFAOYSA-N 1 1 397.544 3.006 40 0 GGABMO Cc1ccsc1C(=O)N1CCC2(CC1)C(=O)N(C)CC[N@H+]2Cc1ccccc1 ZINC000096230325 222399379 /nfs/dbraw/zinc/39/93/79/222399379.db2.gz HUAYODROFOPUIB-UHFFFAOYSA-N 1 1 397.544 3.006 40 0 GGABMO CC(C)[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096228739 222399426 /nfs/dbraw/zinc/39/94/26/222399426.db2.gz IATLSJVJFMWCBC-QHCPKHFHSA-N 1 1 381.520 3.440 40 0 GGABMO C[C@H](CNC(=O)C1=NO[C@]2(CC[N@@H+](CCc3ccccc3)C2)C1)c1ccccc1 ZINC000096225767 222399748 /nfs/dbraw/zinc/39/97/48/222399748.db2.gz OKWHJJXAQGRZGH-NTKDMRAZSA-N 1 1 391.515 3.370 40 0 GGABMO CCc1cc(N2CCOCC2)nc(C2=CC[N@@H+](Cc3ccc(OC)cc3)CC2)n1 ZINC000072339572 536146447 /nfs/dbraw/zinc/14/64/47/536146447.db2.gz QXKGOGPJZOZKCS-UHFFFAOYSA-N 1 1 394.519 3.174 40 0 GGABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](CC4CC4)C[C@H]2N(C)C3=O)c1 ZINC000514290186 560030194 /nfs/dbraw/zinc/03/01/94/560030194.db2.gz USGCVDDNHVXDLC-IRLDBZIGSA-N 1 1 378.472 3.289 40 0 biogenic,in-vitro GGABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](C4CCC4)C[C@H]2N(C)C3=O)c1 ZINC000514288980 560033439 /nfs/dbraw/zinc/03/34/39/560033439.db2.gz DRDBZAWHNVYEFZ-IRLDBZIGSA-N 1 1 378.472 3.432 40 0 biogenic,in-vitro GGABMO CC[NH+](CC)Cc1nc(C2(O)CCN(C(=O)Cc3ccccc3)CC2)cs1 ZINC000225464525 560043402 /nfs/dbraw/zinc/04/34/02/560043402.db2.gz XWYUZNNTOCQXRP-UHFFFAOYSA-N 1 1 387.549 3.038 40 0 biogenic,in-vitro GGABMO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)cn1 ZINC000035425631 560080698 /nfs/dbraw/zinc/08/06/98/560080698.db2.gz LQKDFMYYMKPTHH-KRWDZBQOSA-N 1 1 393.447 3.054 40 0 biogenic,in-vitro GGABMO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)cn1 ZINC000035425631 560080700 /nfs/dbraw/zinc/08/07/00/560080700.db2.gz LQKDFMYYMKPTHH-KRWDZBQOSA-N 1 1 393.447 3.054 40 0 biogenic,in-vitro GGABMO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000035424960 560080820 /nfs/dbraw/zinc/08/08/20/560080820.db2.gz MKWCZVFNUBWAOC-SFHVURJKSA-N 1 1 380.448 3.494 40 0 biogenic,in-vitro GGABMO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000035424960 560080822 /nfs/dbraw/zinc/08/08/22/560080822.db2.gz MKWCZVFNUBWAOC-SFHVURJKSA-N 1 1 380.448 3.494 40 0 biogenic,in-vitro GGABMO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)o1 ZINC000049170032 560084186 /nfs/dbraw/zinc/08/41/86/560084186.db2.gz TZXTUQTVLFGQLI-HNNXBMFYSA-N 1 1 379.416 3.463 40 0 biogenic,in-vitro GGABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5cccs5)c43)C2)CC1 ZINC000005433844 560201990 /nfs/dbraw/zinc/20/19/90/560201990.db2.gz XJAJRBQPUZZXKC-DLBZAZTESA-N 1 1 397.544 3.007 40 0 biogenic,in-vitro GGABMO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)[N@H+]2C ZINC000003785745 564200267 /nfs/dbraw/zinc/20/02/67/564200267.db2.gz SIIICDNNMDMWCI-YJNKXOJESA-N 1 1 385.245 3.031 40 0 in-man GGABMO COc1cccc(NC(=O)C[N@H+](C)CCOc2ccc(Br)cc2)c1 ZINC000008153585 564246294 /nfs/dbraw/zinc/24/62/94/564246294.db2.gz XSLWJCQQYWECCK-UHFFFAOYSA-N 1 1 393.281 3.407 40 0 GGABMO COc1cccc(NC(=O)C[N@@H+](C)CCOc2ccc(Br)cc2)c1 ZINC000008153585 564246299 /nfs/dbraw/zinc/24/62/99/564246299.db2.gz XSLWJCQQYWECCK-UHFFFAOYSA-N 1 1 393.281 3.407 40 0 GGABMO Cn1cc(C(N)=O)c(CC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000019756441 564304536 /nfs/dbraw/zinc/30/45/36/564304536.db2.gz DFTWELWNXQMLIH-UHFFFAOYSA-N 1 1 381.307 3.281 40 0 GGABMO C[C@H](CNC(=O)/C=C/c1cccc(Br)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032430028 564399492 /nfs/dbraw/zinc/39/94/92/564399492.db2.gz SZAZNLLFHXIZJT-JLDNBTGWSA-N 1 1 381.314 3.076 40 0 GGABMO C[C@H](CNC(=O)/C=C/c1cccc(Br)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000032430028 564399496 /nfs/dbraw/zinc/39/94/96/564399496.db2.gz SZAZNLLFHXIZJT-JLDNBTGWSA-N 1 1 381.314 3.076 40 0 GGABMO Cc1nc(CSCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000036397930 564417520 /nfs/dbraw/zinc/41/75/20/564417520.db2.gz XMKDTFXCQUQMIG-QGZVFWFLSA-N 1 1 375.563 3.466 40 0 GGABMO C[NH+]1CCN([C@@H](CNC(=O)CCCc2cccs2)c2cccs2)CC1 ZINC000040039573 564425310 /nfs/dbraw/zinc/42/53/10/564425310.db2.gz NFWZWFORJMGFPH-KRWDZBQOSA-N 1 1 377.579 3.237 40 0 GGABMO O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(Br)c1 ZINC000047031931 564512006 /nfs/dbraw/zinc/51/20/06/564512006.db2.gz CJNYGBMKZDYGHA-OAHLLOKOSA-N 1 1 399.310 3.158 40 0 GGABMO COc1cccc([C@@H](CNS(=O)(=O)c2ccc(C)cc2Cl)[NH+](C)C)c1 ZINC000048312986 564536250 /nfs/dbraw/zinc/53/62/50/564536250.db2.gz DSLWZMYKMXULBM-QGZVFWFLSA-N 1 1 382.913 3.238 40 0 GGABMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccccc2Br)c1 ZINC000048309502 564536428 /nfs/dbraw/zinc/53/64/28/564536428.db2.gz WBRVHVCXAPBARL-UHFFFAOYSA-N 1 1 397.338 3.379 40 0 GGABMO [NH3+][C@H](c1nnc(-c2ccc(I)cc2)[nH]1)c1ccccc1 ZINC000095533436 564900260 /nfs/dbraw/zinc/90/02/60/564900260.db2.gz XLTLGNHFETWVEO-ZDUSSCGKSA-N 1 1 376.201 3.124 40 0 GGABMO CCOC[C@@]1([NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218554737 565899439 /nfs/dbraw/zinc/89/94/39/565899439.db2.gz BJWBHRQGHBRVSJ-GBESFXJTSA-N 1 1 379.909 3.322 40 0 GGABMO FC(F)(F)c1cc(NC(=S)NCCC[NH+]2CCOCC2)ccc1Cl ZINC000225585433 565915329 /nfs/dbraw/zinc/91/53/29/565915329.db2.gz AQFAKDJRBZGBQD-UHFFFAOYSA-N 1 1 381.851 3.368 40 0 GGABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 ZINC000252514283 566115721 /nfs/dbraw/zinc/11/57/21/566115721.db2.gz BSTHMDPOSYEXJF-QRVBRYPASA-N 1 1 379.909 3.322 40 0 GGABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252514282 566115990 /nfs/dbraw/zinc/11/59/90/566115990.db2.gz BSTHMDPOSYEXJF-OTWHNJEPSA-N 1 1 379.909 3.322 40 0 GGABMO CCOC[C@]1([NH3+])[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000252514139 566116138 /nfs/dbraw/zinc/11/61/38/566116138.db2.gz BJWBHRQGHBRVSJ-OTWHNJEPSA-N 1 1 379.909 3.322 40 0 GGABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 ZINC000252514140 566116241 /nfs/dbraw/zinc/11/62/41/566116241.db2.gz BJWBHRQGHBRVSJ-QRVBRYPASA-N 1 1 379.909 3.322 40 0 GGABMO COc1cc(Br)c2c(c1O)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@@H]1CCC(=O)C3 ZINC000253505312 566119726 /nfs/dbraw/zinc/11/97/26/566119726.db2.gz UOUFVSBEJRCBLX-XAYKYTGQSA-N 1 1 380.282 3.031 40 0 biogenic,in-vitro GGABMO Cc1[nH+]ccn1Cc1cccc(NC(=O)c2sc3[nH]c(C)nc(=O)c3c2C)c1 ZINC000019718998 570210267 /nfs/dbraw/zinc/21/02/67/570210267.db2.gz MGKFFEOXICIHEN-UHFFFAOYSA-N 1 1 393.472 3.407 40 0 GGABMO Nc1ncnc2nc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)cc(C(F)(F)F)c12 ZINC000019743221 570212902 /nfs/dbraw/zinc/21/29/02/570212902.db2.gz MJQXLVZUDSBKIK-CYBMUJFWSA-N 1 1 388.397 3.400 40 0 GGABMO Cc1cc2ncc(C[NH+](C)C)c([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)n2n1 ZINC000019743542 570213139 /nfs/dbraw/zinc/21/31/39/570213139.db2.gz BZUCLASDKQUWFV-LJQANCHMSA-N 1 1 395.482 3.145 40 0 GGABMO Cc1cc2ncc(C[NH+](C)C)c([C@H]3CCCN3C(=O)Cc3ccccc3)n2n1 ZINC000019743556 570213200 /nfs/dbraw/zinc/21/32/00/570213200.db2.gz GWRFRHGWHBDBER-LJQANCHMSA-N 1 1 377.492 3.006 40 0 GGABMO Cc1cc2ncc(C[NH+](C)C)c([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)n2n1 ZINC000019743540 570213203 /nfs/dbraw/zinc/21/32/03/570213203.db2.gz BZUCLASDKQUWFV-IBGZPJMESA-N 1 1 395.482 3.145 40 0 GGABMO O=C(NCC[C@H]1CCCC[N@H+]1Cc1ccnc(N2CCCC2)n1)C1CCCC1 ZINC000019746248 570213597 /nfs/dbraw/zinc/21/35/97/570213597.db2.gz BZOVYSFSIKTNBY-HXUWFJFHSA-N 1 1 385.556 3.128 40 0 GGABMO O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019747901 570214280 /nfs/dbraw/zinc/21/42/80/570214280.db2.gz SOYQZKQBRQPEEW-KRWDZBQOSA-N 1 1 387.487 3.225 40 0 GGABMO O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019747901 570214282 /nfs/dbraw/zinc/21/42/82/570214282.db2.gz SOYQZKQBRQPEEW-KRWDZBQOSA-N 1 1 387.487 3.225 40 0 GGABMO O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019747900 570214288 /nfs/dbraw/zinc/21/42/88/570214288.db2.gz SOYQZKQBRQPEEW-QGZVFWFLSA-N 1 1 387.487 3.225 40 0 GGABMO O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019747900 570214290 /nfs/dbraw/zinc/21/42/90/570214290.db2.gz SOYQZKQBRQPEEW-QGZVFWFLSA-N 1 1 387.487 3.225 40 0 GGABMO COc1ccc(CCC(=O)N2CCC(Cc3cc(N(C)C)nc(C)[nH+]3)CC2)cc1 ZINC000019758954 570216296 /nfs/dbraw/zinc/21/62/96/570216296.db2.gz MKOQBGMDKWZEOL-UHFFFAOYSA-N 1 1 396.535 3.274 40 0 GGABMO CNc1cc(CN(C)C(=O)CCCc2ccc(F)cc2)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000019760255 570216642 /nfs/dbraw/zinc/21/66/42/570216642.db2.gz VRKXHOLTUQQDAP-IBGZPJMESA-N 1 1 399.514 3.405 40 0 GGABMO CNc1cc(CN(C)C(=O)CCCc2ccc(F)cc2)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000019760255 570216643 /nfs/dbraw/zinc/21/66/43/570216643.db2.gz VRKXHOLTUQQDAP-IBGZPJMESA-N 1 1 399.514 3.405 40 0 GGABMO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)C[N@H+]1C[C@@]2(C)C[C@@H]1C(C)(C)C2 ZINC000005091549 570222881 /nfs/dbraw/zinc/22/28/81/570222881.db2.gz PNGYQVPOHFUMSP-ZHRRBRCNSA-N 1 1 399.491 3.412 40 0 GGABMO O=C(c1ccco1)N1CCC2(CC1)C[N@@H+](C[C@@H]1CCOC1)Cc1ccccc12 ZINC000096242537 570223126 /nfs/dbraw/zinc/22/31/26/570223126.db2.gz IUCZIFVJFQURRW-SFHVURJKSA-N 1 1 380.488 3.306 40 0 GGABMO COc1cccc(C[N@H+]2CC[C@]3(C2)COCc2cnc(-c4cccnc4)nc23)c1 ZINC000096244275 570223564 /nfs/dbraw/zinc/22/35/64/570223564.db2.gz ISOVRLMJLFXKMS-QHCPKHFHSA-N 1 1 388.471 3.221 40 0 GGABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000096244254 570223665 /nfs/dbraw/zinc/22/36/65/570223665.db2.gz YCFMZVIHGCQTAP-HSZRJFAPSA-N 1 1 388.471 3.221 40 0 GGABMO CCCN1CCC([NH+]2C[C@@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@H]3C2)CC1 ZINC000096245464 570223955 /nfs/dbraw/zinc/22/39/55/570223955.db2.gz ZIMQSGLFKXCVKQ-RTBURBONSA-N 1 1 389.971 3.147 40 0 GGABMO Cc1nc(NCC2CC2)nc2c1COC[C@]21CC[N@@H+](Cc2ccccc2F)C1 ZINC000096244516 570224003 /nfs/dbraw/zinc/22/40/03/570224003.db2.gz YMQILTXHLHBFSK-JOCHJYFZSA-N 1 1 382.483 3.420 40 0 GGABMO CC(C)[N@H+](C)Cc1ncn2c1CN(C(=O)c1ccc3ccccc3n1)CCC2 ZINC000096259241 570225472 /nfs/dbraw/zinc/22/54/72/570225472.db2.gz KEVWNSKCDJSDEI-UHFFFAOYSA-N 1 1 377.492 3.318 40 0 GGABMO CC(C)[N@@H+](C)Cc1ncn2c1CN(C(=O)c1ccc3ccccc3n1)CCC2 ZINC000096259241 570225473 /nfs/dbraw/zinc/22/54/73/570225473.db2.gz KEVWNSKCDJSDEI-UHFFFAOYSA-N 1 1 377.492 3.318 40 0 GGABMO O=C(c1cccs1)N1CCC2(CC1)[NH2+]CCn1c(-c3ccccc3)cnc12 ZINC000096263402 570226689 /nfs/dbraw/zinc/22/66/89/570226689.db2.gz HDUMSZQCZRWGBL-UHFFFAOYSA-N 1 1 378.501 3.346 40 0 GGABMO Cc1csc(=O)n1CC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048310710 570233074 /nfs/dbraw/zinc/23/30/74/570233074.db2.gz BAYJKOVPDSIWNJ-IYBDPMFKSA-N 1 1 387.549 3.013 40 0 GGABMO CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(OCCF)cc1 ZINC000585269602 570237463 /nfs/dbraw/zinc/23/74/63/570237463.db2.gz AVOPRGKRNGIAQE-SFHVURJKSA-N 1 1 377.456 3.305 40 0 GGABMO CC(=O)N1CC[N@H+](C2CCCCCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585281840 570247905 /nfs/dbraw/zinc/24/79/05/570247905.db2.gz CCGSLJSMROXTGO-QFIPXVFZSA-N 1 1 392.515 3.131 40 0 GGABMO Cc1cc(C)c(C)c(OC[C@@]2(O)COCC[N@@H+](CC3(O)CCCCCC3)C2)c1 ZINC000585281874 570248501 /nfs/dbraw/zinc/24/85/01/570248501.db2.gz DGMQSJYPQRNREO-QHCPKHFHSA-N 1 1 391.552 3.139 40 0 GGABMO C[N@@H+](CCNC(=O)COCc1cc(-c2ccc(F)cc2)on1)C1CCCCC1 ZINC000020219906 570248644 /nfs/dbraw/zinc/24/86/44/570248644.db2.gz GNCDFSINYOKMRY-UHFFFAOYSA-N 1 1 389.471 3.378 40 0 GGABMO CC(=O)N1CC[N@H+](C2CCC(C)(C)CC2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585280911 570249380 /nfs/dbraw/zinc/24/93/80/570249380.db2.gz CKNSBQWULZUHHZ-HSZRJFAPSA-N 1 1 388.552 3.238 40 0 GGABMO CCCC(CCC)[N@H+]1CC[C@H](O)[C@@](O)(COc2cc(F)c(F)c(F)c2)C1 ZINC000585282402 570250102 /nfs/dbraw/zinc/25/01/02/570250102.db2.gz JMCIRUHJDGPUFV-HKUYNNGSSA-N 1 1 375.431 3.249 40 0 GGABMO Cn1cnc(C[N@H+]2CCC[C@@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)c1 ZINC000585288900 570256699 /nfs/dbraw/zinc/25/66/99/570256699.db2.gz AMIAEDSSMUWVFE-CYBMUJFWSA-N 1 1 392.385 3.264 40 0 GGABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)C[N@H+]1Cc1cccc(Br)c1 ZINC000585292706 570260768 /nfs/dbraw/zinc/26/07/68/570260768.db2.gz NNUWJSSTIAEBET-KZNAEPCWSA-N 1 1 396.712 3.424 40 0 GGABMO CCCOc1ccccc1C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](O)[C@H]1CO ZINC000585292141 570261196 /nfs/dbraw/zinc/26/11/96/570261196.db2.gz FFTOVMLQJYAEEI-SFHLNBCPSA-N 1 1 375.896 3.450 40 0 GGABMO C=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)S[C@H]2[C@H]([NH3+])C(=O)N2C1 ZINC000098177460 570263378 /nfs/dbraw/zinc/26/33/78/570263378.db2.gz ZEZLOSHIDUQRIO-UTKZUKDTSA-N 1 1 392.480 3.002 40 0 GGABMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(Br)c2)[C@H](CO)[C@@H]1O ZINC000585295222 570275327 /nfs/dbraw/zinc/27/53/27/570275327.db2.gz QSBYHFNFJCCZEE-GUDVDZBRSA-N 1 1 376.294 3.079 40 0 GGABMO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](CC(C)(C)C[NH+]4CCCC4)C3)[n-]n2c1=O ZINC000100766997 570277297 /nfs/dbraw/zinc/27/72/97/570277297.db2.gz HOJKFEVEHRSIRM-QGZVFWFLSA-N 1 1 385.556 3.217 40 0 GGABMO Cc1cc(C)c(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)c(C)c1 ZINC000101274459 570282209 /nfs/dbraw/zinc/28/22/09/570282209.db2.gz IYLKETLDMSJSIP-NRFANRHFSA-N 1 1 391.515 3.062 40 0 GGABMO O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020893164 570283681 /nfs/dbraw/zinc/28/36/81/570283681.db2.gz JSIHUPWQTNDKQB-UHFFFAOYSA-N 1 1 394.450 3.153 40 0 GGABMO O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021450073 570296047 /nfs/dbraw/zinc/29/60/47/570296047.db2.gz XAQFRWMQFBRFBZ-SFHVURJKSA-N 1 1 397.906 3.037 40 0 GGABMO COc1ccc(CCC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1OC ZINC000021926407 570299680 /nfs/dbraw/zinc/29/96/80/570299680.db2.gz ICWOGGHZYXUNIF-UHFFFAOYSA-N 1 1 382.504 3.289 40 0 GGABMO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1Cl ZINC000022508825 570318574 /nfs/dbraw/zinc/31/85/74/570318574.db2.gz LMHGIXLEXHDTOR-UHFFFAOYSA-N 1 1 391.880 3.321 40 0 GGABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@H]2c2ccc(C(F)(F)F)cc2)cc1OC ZINC000072227102 570319080 /nfs/dbraw/zinc/31/90/80/570319080.db2.gz NFTSSTMAWUCGBG-IAGOWNOFSA-N 1 1 380.366 3.133 40 0 GGABMO COc1ccc(CCC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000022534334 570321246 /nfs/dbraw/zinc/32/12/46/570321246.db2.gz KKJHKKHGUBBKDQ-UHFFFAOYSA-N 1 1 379.460 3.447 40 0 GGABMO Cc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 ZINC000072378448 570340666 /nfs/dbraw/zinc/34/06/66/570340666.db2.gz LSOZLRYEKSGLPT-FQEVSTJZSA-N 1 1 386.459 3.358 40 0 GGABMO COc1c2c(cc3c1[C@H](CC(=O)[C@H]1CCOC(C)(C)C1)[N@H+](C)CC3)OCO2 ZINC000035361454 570344741 /nfs/dbraw/zinc/34/47/41/570344741.db2.gz YHFYSFSWQZPERA-GJZGRUSLSA-N 1 1 375.465 3.117 40 0 biogenic GGABMO COc1c2c(cc3c1[C@H](CC(=O)[C@H]1CCOC(C)(C)C1)[N@@H+](C)CC3)OCO2 ZINC000035361454 570344742 /nfs/dbraw/zinc/34/47/42/570344742.db2.gz YHFYSFSWQZPERA-GJZGRUSLSA-N 1 1 375.465 3.117 40 0 biogenic GGABMO S=C1N(c2ccccc2)CN(CCC[NH+]2CCOCC2)CN1c1ccccc1 ZINC000022402129 570347007 /nfs/dbraw/zinc/34/70/07/570347007.db2.gz MQVOEEQZCQEHGG-UHFFFAOYSA-N 1 1 396.560 3.237 40 0 GGABMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000023425067 570362186 /nfs/dbraw/zinc/36/21/86/570362186.db2.gz UZKOLCLHFGSWRI-QGZVFWFLSA-N 1 1 378.875 3.349 40 0 GGABMO CC1(C)[C@H]2CC[C@@H]1C(=O)N(CCCCN1CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000023469537 570363141 /nfs/dbraw/zinc/36/31/41/570363141.db2.gz HRIXFRQERVYOLW-OYRHEFFESA-N 1 1 397.563 3.006 40 0 GGABMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000004223168 570363524 /nfs/dbraw/zinc/36/35/24/570363524.db2.gz MZIKDLUMHDHRPV-SLFFLAALSA-N 1 1 379.460 3.207 40 0 GGABMO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@@H](C[NH+]1CCOCC1)C2=O ZINC000118915052 570367029 /nfs/dbraw/zinc/36/70/29/570367029.db2.gz OXMJWUNKEJJKIF-WSDCWZIASA-N 1 1 387.564 3.438 40 0 GGABMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022781926 570377151 /nfs/dbraw/zinc/37/71/51/570377151.db2.gz WZSVGQASAQJTHY-FPOVZHCZSA-N 1 1 393.531 3.477 40 0 GGABMO O[C@H](COc1ccccc1)C[NH+]1CCN(Cc2csc3ccccc23)CC1 ZINC000022835547 570378235 /nfs/dbraw/zinc/37/82/35/570378235.db2.gz DBFSAWBEBOMLAU-IBGZPJMESA-N 1 1 382.529 3.459 40 0 GGABMO Cc1oc(-c2cccs2)nc1CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022911672 570378882 /nfs/dbraw/zinc/37/88/82/570378882.db2.gz BTCIKRQNZHYEFY-UHFFFAOYSA-N 1 1 390.553 3.134 40 0 GGABMO Cc1oc(-c2cccs2)nc1CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022911672 570378886 /nfs/dbraw/zinc/37/88/86/570378886.db2.gz BTCIKRQNZHYEFY-UHFFFAOYSA-N 1 1 390.553 3.134 40 0 GGABMO COc1ccccc1-c1noc(CN2CC[NH+](Cc3cccc(C)c3)CC2)n1 ZINC000022920044 570379546 /nfs/dbraw/zinc/37/95/46/570379546.db2.gz BAUVKXARTFXOTL-UHFFFAOYSA-N 1 1 378.476 3.371 40 0 GGABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3)cc2Cl)CC1 ZINC000408629104 570381235 /nfs/dbraw/zinc/38/12/35/570381235.db2.gz ZITAZDBPBSHMNQ-UHFFFAOYSA-N 1 1 388.924 3.219 40 0 GGABMO O[C@H](COc1ccc(F)cc1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019938588 570406990 /nfs/dbraw/zinc/40/69/90/570406990.db2.gz PKVDPLXJHQXEOF-IBGZPJMESA-N 1 1 378.875 3.037 40 0 GGABMO CCSc1nnc([C@@H]2CCC[N@H+](CC(=O)N3CCCc4ccccc43)C2)n1C ZINC000005001431 570421638 /nfs/dbraw/zinc/42/16/38/570421638.db2.gz DVDFZQWVXLVBLA-QGZVFWFLSA-N 1 1 399.564 3.086 40 0 GGABMO CCSc1nnc([C@@H]2CCC[N@@H+](CC(=O)N3CCCc4ccccc43)C2)n1C ZINC000005001431 570421639 /nfs/dbraw/zinc/42/16/39/570421639.db2.gz DVDFZQWVXLVBLA-QGZVFWFLSA-N 1 1 399.564 3.086 40 0 GGABMO COc1ccc(Cl)cc1S(=O)(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000223148968 570447339 /nfs/dbraw/zinc/44/73/39/570447339.db2.gz NFKPRAZVKUVGEF-UHFFFAOYSA-N 1 1 394.924 3.075 40 0 GGABMO O[C@@H](C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1F ZINC000026908631 570452337 /nfs/dbraw/zinc/45/23/37/570452337.db2.gz MIPPSCHBYVMUIN-KRWDZBQOSA-N 1 1 383.389 3.485 40 0 GGABMO CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000226070018 570458940 /nfs/dbraw/zinc/45/89/40/570458940.db2.gz XZRZOKNRXTYKCI-HXUWFJFHSA-N 1 1 393.568 3.489 40 0 GGABMO O=C(CSCc1ccc(F)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000138897949 570491906 /nfs/dbraw/zinc/49/19/06/570491906.db2.gz JRUPMTKEIALQKW-UHFFFAOYSA-N 1 1 388.508 3.208 40 0 GGABMO CCOC(=O)Nc1nc2ccccc2n1C[NH+]1CCN(c2ccccc2)CC1 ZINC000031772092 570506304 /nfs/dbraw/zinc/50/63/04/570506304.db2.gz VARFPCGKRRTNKH-UHFFFAOYSA-N 1 1 379.464 3.384 40 0 GGABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(COc3ccc(OC)cc3)c2)CC1 ZINC000224270810 570506800 /nfs/dbraw/zinc/50/68/00/570506800.db2.gz NPVVVCVRDIGFPB-UHFFFAOYSA-N 1 1 384.476 3.061 40 0 GGABMO O[C@H](COc1cccc(C(F)(F)F)c1)C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000031948155 570507467 /nfs/dbraw/zinc/50/74/67/570507467.db2.gz LBPFTSNHUYGOQJ-SFHVURJKSA-N 1 1 398.400 3.406 40 0 GGABMO C[C@@H]1C[N@H+](CCCCNc2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@H](C)O1 ZINC000079063569 570510480 /nfs/dbraw/zinc/51/04/80/570510480.db2.gz KSCVMEHHHAQEBS-OKILXGFUSA-N 1 1 394.459 3.281 40 0 GGABMO CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224572381 570518398 /nfs/dbraw/zinc/51/83/98/570518398.db2.gz GDLLFXPECJKVFI-NRFANRHFSA-N 1 1 386.467 3.132 40 0 GGABMO Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000224567471 570518672 /nfs/dbraw/zinc/51/86/72/570518672.db2.gz MHMIVADTWSNGRB-IBGZPJMESA-N 1 1 382.504 3.219 40 0 GGABMO Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000224567530 570518690 /nfs/dbraw/zinc/51/86/90/570518690.db2.gz MHMIVADTWSNGRB-LJQANCHMSA-N 1 1 382.504 3.219 40 0 GGABMO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224572806 570518853 /nfs/dbraw/zinc/51/88/53/570518853.db2.gz GNJWREUFMVGTEQ-JOCHJYFZSA-N 1 1 398.503 3.001 40 0 GGABMO Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000224574972 570519077 /nfs/dbraw/zinc/51/90/77/570519077.db2.gz ZLEDNFILLZNPND-LJQANCHMSA-N 1 1 382.504 3.219 40 0 GGABMO Cc1ccccc1CSCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224706511 570525982 /nfs/dbraw/zinc/52/59/82/570525982.db2.gz GLOJNRWKZWHSIP-UHFFFAOYSA-N 1 1 384.545 3.377 40 0 GGABMO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224729345 570527303 /nfs/dbraw/zinc/52/73/03/570527303.db2.gz MPZQMPHULGDZRX-INIZCTEOSA-N 1 1 388.895 3.256 40 0 GGABMO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224729703 570527435 /nfs/dbraw/zinc/52/74/35/570527435.db2.gz VXSLECTVUGHLCO-JOCHJYFZSA-N 1 1 398.503 3.001 40 0 GGABMO O=C(CCSCc1ccccc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224733575 570527655 /nfs/dbraw/zinc/52/76/55/570527655.db2.gz XFGPOMKFGXSPJG-UHFFFAOYSA-N 1 1 384.545 3.459 40 0 GGABMO CCc1ccccc1O[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224738454 570527795 /nfs/dbraw/zinc/52/77/95/570527795.db2.gz ACCMFWXPEHIYKB-SFHVURJKSA-N 1 1 382.504 3.165 40 0 GGABMO Cc1ccc(C)c(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000224734123 570527864 /nfs/dbraw/zinc/52/78/64/570527864.db2.gz BYARFOKDYHHRKG-LJQANCHMSA-N 1 1 382.504 3.219 40 0 GGABMO CC[C@@H](Oc1ccccc1OC)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224741768 570528634 /nfs/dbraw/zinc/52/86/34/570528634.db2.gz YVSXILUQLGNLIW-HXUWFJFHSA-N 1 1 398.503 3.001 40 0 GGABMO O=C(COc1ccc2c(c1)CCCC2)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224752905 570529196 /nfs/dbraw/zinc/52/91/96/570529196.db2.gz UYBWSPGSWCGAGP-UHFFFAOYSA-N 1 1 394.515 3.093 40 0 GGABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCC(C)CC3)cc2c1 ZINC000000930084 570540236 /nfs/dbraw/zinc/54/02/36/570540236.db2.gz FHXWDOJKGKGBOR-IBGZPJMESA-N 1 1 394.523 3.399 40 0 GGABMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000022772271 570544675 /nfs/dbraw/zinc/54/46/75/570544675.db2.gz IMVLHQSKFBMZLW-UHFFFAOYSA-N 1 1 378.520 3.043 40 0 GGABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1 ZINC000225071413 570546961 /nfs/dbraw/zinc/54/69/61/570546961.db2.gz QCXOOPLJHYLGTE-UHFFFAOYSA-N 1 1 378.457 3.406 40 0 GGABMO O=C(NC[C@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@H]1OCOc2ccccc21 ZINC000036058534 570554076 /nfs/dbraw/zinc/55/40/76/570554076.db2.gz MBRGYORKLQJGCJ-KNQAVFIVSA-N 1 1 380.488 3.165 40 0 GGABMO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccc3c(c2)C[C@H](C)O3)n1 ZINC000036058506 570554210 /nfs/dbraw/zinc/55/42/10/570554210.db2.gz GFXPYYOCXHYASD-RXVVDRJESA-N 1 1 395.503 3.480 40 0 GGABMO CCOC(=O)N1CC[NH+](C[C@@H]2C(=O)O[C@H]3C[C@@]4(C)CCC[C@@H](C)C4=C[C@@H]23)CC1 ZINC000036503908 570565211 /nfs/dbraw/zinc/56/52/11/570565211.db2.gz NGNDKPBQSHRIRV-ZKLZOCEHSA-N 1 1 390.524 3.075 40 0 GGABMO CCOC(=O)N1CC[NH+](C[C@@H]2C(=O)O[C@H]3C[C@@]4(C)CCC[C@@H](C)C4=C[C@H]23)CC1 ZINC000036503911 570565326 /nfs/dbraw/zinc/56/53/26/570565326.db2.gz NGNDKPBQSHRIRV-PGRYMQIGSA-N 1 1 390.524 3.075 40 0 GGABMO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c(C)c1C ZINC000225339453 570565459 /nfs/dbraw/zinc/56/54/59/570565459.db2.gz AXOGSAVQSUHERO-UHFFFAOYSA-N 1 1 385.489 3.285 40 0 GGABMO Cn1c2ccc(C[N@@H+](CCCn3ccnc3)C[C@H]3CC=CCC3)cc2n(C)c1=O ZINC000036740236 570568647 /nfs/dbraw/zinc/56/86/47/570568647.db2.gz XSGQSVVNAKDIKY-IBGZPJMESA-N 1 1 393.535 3.322 40 0 GGABMO CC(C)NC(=O)Cn1cc(CN2CCC[C@H](C[NH+]3CCCC3)C2)c2ccccc21 ZINC000036741516 570569963 /nfs/dbraw/zinc/56/99/63/570569963.db2.gz GDTGKYFODZEAQG-HXUWFJFHSA-N 1 1 396.579 3.474 40 0 GGABMO Cn1c2ccc(C[N@H+]3CCC[C@H](Cc4nc5ccccc5[nH]4)C3)cc2n(C)c1=O ZINC000036752832 570569992 /nfs/dbraw/zinc/56/99/92/570569992.db2.gz UNWWRFOPJGATTD-MRXNPFEDSA-N 1 1 389.503 3.208 40 0 GGABMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cc(OC)c(OC)c(OC)c1)C2 ZINC000001369976 570580746 /nfs/dbraw/zinc/58/07/46/570580746.db2.gz RKTRNUTVCOLRRU-ALOPSCKCSA-N 1 1 376.497 3.238 40 0 GGABMO CCOC(=O)C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000038854147 570588254 /nfs/dbraw/zinc/58/82/54/570588254.db2.gz TVCLEQKOVGMHKI-GOSISDBHSA-N 1 1 392.927 3.354 40 0 GGABMO CN(C(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)[C@@H]1CCCC[C@H]1O ZINC000225586102 570591426 /nfs/dbraw/zinc/59/14/26/570591426.db2.gz CXAPERCZBWYNIE-RTBURBONSA-N 1 1 382.907 3.453 40 0 GGABMO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000225693404 570604099 /nfs/dbraw/zinc/60/40/99/570604099.db2.gz WHKSPCRZFBTJLK-NRFANRHFSA-N 1 1 378.513 3.322 40 0 GGABMO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCCC1 ZINC000225707093 570606535 /nfs/dbraw/zinc/60/65/35/570606535.db2.gz GWSVNIMJQSHMIP-UHFFFAOYSA-N 1 1 376.497 3.076 40 0 GGABMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[NH+]1CCCCC1 ZINC000004231834 570622210 /nfs/dbraw/zinc/62/22/10/570622210.db2.gz UDVCNAWPMLGANR-UHFFFAOYSA-N 1 1 397.475 3.381 40 0 GGABMO O=C(C[NH+]1CCC(O)(c2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000004924697 570649356 /nfs/dbraw/zinc/64/93/56/570649356.db2.gz WKOCSVIAUIMNEJ-UHFFFAOYSA-N 1 1 379.504 3.209 40 0 GGABMO CC(C)c1ccc(OCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000047227652 570653628 /nfs/dbraw/zinc/65/36/28/570653628.db2.gz IACJOMGEDRRLFD-UHFFFAOYSA-N 1 1 382.504 3.337 40 0 GGABMO COc1ccc(OCCCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000047276378 570653851 /nfs/dbraw/zinc/65/38/51/570653851.db2.gz GRBVPROLOAORHX-UHFFFAOYSA-N 1 1 398.503 3.003 40 0 GGABMO Cc1ccc(CSCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000047276409 570653858 /nfs/dbraw/zinc/65/38/58/570653858.db2.gz LKGZMPPBMINDMC-UHFFFAOYSA-N 1 1 384.545 3.377 40 0 GGABMO COc1ccc2cc(S(=O)(=O)NCCC[N@H+]3CCC[C@H](C)C3)ccc2c1 ZINC000260746476 570702014 /nfs/dbraw/zinc/70/20/14/570702014.db2.gz XVHYCLBGDQZRPX-INIZCTEOSA-N 1 1 376.522 3.249 40 0 GGABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2)C1 ZINC000260910217 570713998 /nfs/dbraw/zinc/71/39/98/570713998.db2.gz XINZYEQLHNRKMD-PXNSSMCTSA-N 1 1 380.488 3.488 40 0 GGABMO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000015049830 570723413 /nfs/dbraw/zinc/72/34/13/570723413.db2.gz HJVQCTDOHXZWKD-HNNXBMFYSA-N 1 1 389.883 3.065 40 0 GGABMO O=C(CN1CCCCCC1)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000000934517 570727354 /nfs/dbraw/zinc/72/73/54/570727354.db2.gz ACVSRRWXEUWSPU-UHFFFAOYSA-N 1 1 386.540 3.316 40 0 GGABMO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OC)[C@@]3(CCCO3)C2)cc1 ZINC000257210564 570761124 /nfs/dbraw/zinc/76/11/24/570761124.db2.gz BVDVGFFYLYEMNJ-TZIWHRDSSA-N 1 1 376.497 3.074 40 0 GGABMO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](OC)[C@@]3(CCCO3)C2)cc1 ZINC000257210564 570761125 /nfs/dbraw/zinc/76/11/25/570761125.db2.gz BVDVGFFYLYEMNJ-TZIWHRDSSA-N 1 1 376.497 3.074 40 0 GGABMO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@]12CCCO2 ZINC000257209362 570761252 /nfs/dbraw/zinc/76/12/52/570761252.db2.gz BQBYQNOYBSTBMR-RBBKRZOGSA-N 1 1 397.475 3.082 40 0 GGABMO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@]12CCCO2 ZINC000257209362 570761254 /nfs/dbraw/zinc/76/12/54/570761254.db2.gz BQBYQNOYBSTBMR-RBBKRZOGSA-N 1 1 397.475 3.082 40 0 GGABMO Cc1nc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)nc(C)c1CC(=O)N(C)C ZINC000257211924 570761699 /nfs/dbraw/zinc/76/16/99/570761699.db2.gz CBCNKQZPZJRWLM-QGZVFWFLSA-N 1 1 386.927 3.367 40 0 GGABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000257220320 570762515 /nfs/dbraw/zinc/76/25/15/570762515.db2.gz DKJOMQLOELLMRS-MRXNPFEDSA-N 1 1 385.512 3.173 40 0 GGABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257231910 570765623 /nfs/dbraw/zinc/76/56/23/570765623.db2.gz GIRAJMAWADQUBT-SFHVURJKSA-N 1 1 378.476 3.431 40 0 GGABMO Cn1nc([C@H]2C[N@H+](CC3CC3)CCO2)cc1CCOc1ccccc1Cl ZINC000257235796 570766660 /nfs/dbraw/zinc/76/66/60/570766660.db2.gz GZMRWGQDZQXKPB-HXUWFJFHSA-N 1 1 375.900 3.478 40 0 GGABMO Cn1nc([C@H]2C[N@@H+](CC3CC3)CCO2)cc1CCOc1ccccc1Cl ZINC000257235796 570766662 /nfs/dbraw/zinc/76/66/62/570766662.db2.gz GZMRWGQDZQXKPB-HXUWFJFHSA-N 1 1 375.900 3.478 40 0 GGABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cccnn1)[C@H]2Cc1ccccc1 ZINC000257242298 570768387 /nfs/dbraw/zinc/76/83/87/570768387.db2.gz IBVFHDFRAYAZMO-XANJAXJYSA-N 1 1 376.504 3.175 40 0 GGABMO C[N@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cc(-c4cccnc4)n[nH]3)CC[C@H]21 ZINC000257242316 570768439 /nfs/dbraw/zinc/76/84/39/570768439.db2.gz IBWXBIPFWXRNJE-WOIUINJBSA-N 1 1 387.487 3.032 40 0 GGABMO C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC[C@H]21 ZINC000257242316 570768440 /nfs/dbraw/zinc/76/84/40/570768440.db2.gz IBWXBIPFWXRNJE-WOIUINJBSA-N 1 1 387.487 3.032 40 0 GGABMO C[N@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cc(-c4cccnc4)[nH]n3)CC[C@H]21 ZINC000257242316 570768443 /nfs/dbraw/zinc/76/84/43/570768443.db2.gz IBWXBIPFWXRNJE-WOIUINJBSA-N 1 1 387.487 3.032 40 0 GGABMO Cc1ncsc1C[N@@H+]1CCC[C@@](C)(c2nc3c(c(C)n2)CC(=O)N3C(C)C)C1 ZINC000257253096 570770481 /nfs/dbraw/zinc/77/04/81/570770481.db2.gz JXNOZNPOAJRSJH-OAQYLSRUSA-N 1 1 399.564 3.401 40 0 GGABMO Cn1ccnc1C(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@H+]2C ZINC000257257301 570770940 /nfs/dbraw/zinc/77/09/40/570770940.db2.gz KOYUCSZRCDXMBN-IFUXXNRASA-N 1 1 378.520 3.119 40 0 GGABMO Cn1cc(C[N@H+]2CCCC[C@H]2c2ccc(-c3ccc(C(N)=O)cc3)nc2)cn1 ZINC000257256733 570771034 /nfs/dbraw/zinc/77/10/34/570771034.db2.gz KMQVIYYCEUPAQV-NRFANRHFSA-N 1 1 375.476 3.308 40 0 GGABMO CNC(=O)c1sc2nc([C@]3(C)CCC[N@@H+](Cc4ccccn4)C3)ccc2c1N ZINC000257260255 570771515 /nfs/dbraw/zinc/77/15/15/570771515.db2.gz LCAADDSZJDXTOK-OAQYLSRUSA-N 1 1 395.532 3.187 40 0 GGABMO O=C1N(CCc2ccccc2)CC=CC[C@]12C[N@@H+](CCc1ccccc1)CCO2 ZINC000257262260 570771951 /nfs/dbraw/zinc/77/19/51/570771951.db2.gz LKSSWHQUCVCITP-VWLOTQADSA-N 1 1 390.527 3.331 40 0 GGABMO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)CN1CCCC1 ZINC000257263651 570772009 /nfs/dbraw/zinc/77/20/09/570772009.db2.gz LQWKYRIVHAXYBK-QMDPOKHVSA-N 1 1 381.564 3.215 40 0 GGABMO CC1(C)O[C@@](C)([C@H]2CC3(CO2)CC[NH+](Cc2cscn2)CC3)CC[C@@H]1O ZINC000257268109 570772826 /nfs/dbraw/zinc/77/28/26/570772826.db2.gz MKGQXEHKDJEUIU-YQVWRLOYSA-N 1 1 380.554 3.223 40 0 GGABMO Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=[NH+][C@@H]2c1ccc(F)cc1 ZINC000009287533 570774703 /nfs/dbraw/zinc/77/47/03/570774703.db2.gz AOULWPKDGPEAAS-SFHVURJKSA-N 1 1 397.841 3.462 40 0 GGABMO CC(=O)Nc1cccc([C@@H]2C[N@@H+](Cc3cccnc3)C[C@]23CCCCC(=O)N3)c1 ZINC000257284878 570775671 /nfs/dbraw/zinc/77/56/71/570775671.db2.gz PERWZLHRQPOORG-JTHBVZDNSA-N 1 1 392.503 3.068 40 0 GGABMO Cc1cnc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@H+]3C)cn1 ZINC000257287694 570776096 /nfs/dbraw/zinc/77/60/96/570776096.db2.gz PRCUNKFDPNWAHK-WGNYYXNJSA-N 1 1 390.531 3.484 40 0 GGABMO CC(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCC[N@@H+]2Cc1ccnn1C ZINC000257288826 570776383 /nfs/dbraw/zinc/77/63/83/570776383.db2.gz PVWPKZOUSMZZFG-ZLNRFVROSA-N 1 1 380.536 3.397 40 0 GGABMO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)CN(C)C)C3)c2)c1 ZINC000257294051 570776989 /nfs/dbraw/zinc/77/69/89/570776989.db2.gz QSGDLINDPLXMRP-QGZVFWFLSA-N 1 1 382.508 3.410 40 0 GGABMO COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@]4(C)[NH2+]CCCC[C@H]34)n[nH]2)c1 ZINC000257295129 570777338 /nfs/dbraw/zinc/77/73/38/570777338.db2.gz QXBPWXFUSYJNSU-UNMCSNQZSA-N 1 1 398.507 3.231 40 0 GGABMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257295905 570777376 /nfs/dbraw/zinc/77/73/76/570777376.db2.gz RAJCCUILUTZNCX-ZJSJBZJDSA-N 1 1 381.476 3.110 40 0 GGABMO CCn1ncc(CN2CCO[C@H](c3cc(CCOc4ccccc4)[nH]n3)C2)c1C ZINC000257306152 570779032 /nfs/dbraw/zinc/77/90/32/570779032.db2.gz STDMCRVCZIKMGT-QFIPXVFZSA-N 1 1 395.507 3.130 40 0 GGABMO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)cc1 ZINC000257308373 570779374 /nfs/dbraw/zinc/77/93/74/570779374.db2.gz TWMVYCLDQYGQPN-FPOVZHCZSA-N 1 1 376.497 3.074 40 0 GGABMO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OC)C2)cc1 ZINC000257308373 570779376 /nfs/dbraw/zinc/77/93/76/570779376.db2.gz TWMVYCLDQYGQPN-FPOVZHCZSA-N 1 1 376.497 3.074 40 0 GGABMO COc1cccc2c1OC(C)(C)[C@H]1CC3(C[NH+](Cc4c(C)cnn4C)C3)CO[C@H]21 ZINC000257316099 570780565 /nfs/dbraw/zinc/78/05/65/570780565.db2.gz VECUMWWFRVNBOL-FXAWDEMLSA-N 1 1 397.519 3.488 40 0 GGABMO CCNc1nc(C)c(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@H+]3C)s1 ZINC000257326464 570781939 /nfs/dbraw/zinc/78/19/39/570781939.db2.gz WXHWDKGCOOFKAU-KZNAEPCWSA-N 1 1 384.549 3.443 40 0 GGABMO CC[C@H](Oc1cccc(C)c1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000176041917 570809415 /nfs/dbraw/zinc/80/94/15/570809415.db2.gz DWGJDVPRQPOPEC-QFIPXVFZSA-N 1 1 382.504 3.301 40 0 GGABMO O=C(c1cnn(-c2ccccc2)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000032863826 570861605 /nfs/dbraw/zinc/86/16/05/570861605.db2.gz WIZDLLCAPHWBKD-UHFFFAOYSA-N 1 1 378.451 3.360 40 0 GGABMO O=C(c1cnn(-c2ccccc2)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000032863826 570861608 /nfs/dbraw/zinc/86/16/08/570861608.db2.gz WIZDLLCAPHWBKD-UHFFFAOYSA-N 1 1 378.451 3.360 40 0 GGABMO COCCc1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@]3(O)c2ccc(C)cc2)cn1 ZINC000072340466 570880531 /nfs/dbraw/zinc/88/05/31/570880531.db2.gz XYJQAKXRIMJVLA-NWSQWKLXSA-N 1 1 381.520 3.094 40 0 GGABMO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@@H](O)COCc2cccs2)c(C)c1 ZINC000096996262 570885144 /nfs/dbraw/zinc/88/51/44/570885144.db2.gz PXXALOIXGGEYPD-QGZVFWFLSA-N 1 1 376.522 3.121 40 0 GGABMO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@@H](O)COCc2cccs2)c(C)c1 ZINC000096996262 570885147 /nfs/dbraw/zinc/88/51/47/570885147.db2.gz PXXALOIXGGEYPD-QGZVFWFLSA-N 1 1 376.522 3.121 40 0 GGABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](CC2=C4C[C@@H](CC2)C4(C)C)C3)C[C@H](C)O1 ZINC000257204126 570888086 /nfs/dbraw/zinc/88/80/86/570888086.db2.gz ATDHLXQROIJYSZ-YQQAZPJKSA-N 1 1 398.551 3.290 40 0 GGABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](CC2=C4C[C@@H](CC2)C4(C)C)C3)C[C@H](C)O1 ZINC000257204126 570888089 /nfs/dbraw/zinc/88/80/89/570888089.db2.gz ATDHLXQROIJYSZ-YQQAZPJKSA-N 1 1 398.551 3.290 40 0 GGABMO CCCn1cc(S(=O)(=O)N2C[C@H]([N@@H+](C)CC)CC23CCCCC3)c(C)n1 ZINC000019703981 570896940 /nfs/dbraw/zinc/89/69/40/570896940.db2.gz LOLKXEKSGVBIRS-QGZVFWFLSA-N 1 1 382.574 3.019 40 0 GGABMO CC(=O)N1CCCC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000019712461 570898556 /nfs/dbraw/zinc/89/85/56/570898556.db2.gz UMYIDKFTVMGARH-QZTJIDSGSA-N 1 1 378.900 3.477 40 0 GGABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)C[C@H]1CCCCO1 ZINC000257276870 570900646 /nfs/dbraw/zinc/90/06/46/570900646.db2.gz NVLPHAYXPBTRJJ-QWFCFKBJSA-N 1 1 390.572 3.173 40 0 GGABMO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)CC1 ZINC000257344601 570910938 /nfs/dbraw/zinc/91/09/38/570910938.db2.gz ZXYQNHFYMWQQER-WNRNVDISSA-N 1 1 386.540 3.146 40 0 GGABMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@H]23)C1 ZINC000105369283 570922718 /nfs/dbraw/zinc/92/27/18/570922718.db2.gz COBANFXUQLODDA-IDYNPRKMSA-N 1 1 387.520 3.496 40 0 biogenic GGABMO CCn1cc(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3csc(C)n3)CC2)cn1 ZINC000585100034 570924270 /nfs/dbraw/zinc/92/42/70/570924270.db2.gz CURYGWKJRZTQOL-FQEVSTJZSA-N 1 1 387.553 3.215 40 0 GGABMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)N1CCC[C@@H]1CCO ZINC000575106487 570924737 /nfs/dbraw/zinc/92/47/37/570924737.db2.gz WMUJZGQKCNJZON-XPWALMASSA-N 1 1 393.531 3.211 40 0 GGABMO Cc1nnsc1C(=O)N1CCC[C@]12CCC[N@H+](Cc1c(C)noc1C)CC2 ZINC000585100446 570924725 /nfs/dbraw/zinc/92/47/25/570924725.db2.gz KQJYERMLZWRJJY-IBGZPJMESA-N 1 1 389.525 3.112 40 0 GGABMO CCn1cc(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)cn1 ZINC000585099835 570925667 /nfs/dbraw/zinc/92/56/67/570925667.db2.gz GCVJUQMURNPRKY-NRFANRHFSA-N 1 1 385.512 3.055 40 0 GGABMO Cc1nc(C)c(C[N@H+]2CCC[C@@]3(CCC(=O)N3C[C@@H]3CCCO3)CC2)s1 ZINC000585099867 570926300 /nfs/dbraw/zinc/92/63/00/570926300.db2.gz NADIZGMIJNNFFP-FXAWDEMLSA-N 1 1 377.554 3.286 40 0 GGABMO O=C(COc1ccc2ccccc2c1)N1CCC[C@]2(CC[N@H+]2C[C@H]2CCCO2)C1 ZINC000585101874 570927214 /nfs/dbraw/zinc/92/72/14/570927214.db2.gz JWCNQOOJDJSGQR-VWNXMTODSA-N 1 1 394.515 3.465 40 0 GGABMO C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCN(C(=O)CCc2cccnc2)CC3)C1 ZINC000585104080 570929996 /nfs/dbraw/zinc/92/99/96/570929996.db2.gz LIWQEBIXLADKBM-FPOVZHCZSA-N 1 1 385.552 3.144 40 0 GGABMO Cc1nc(C)c(C[N@H+]2CCOC[C@]3(CC(=O)N(Cc4ccccc4)C3)C2)s1 ZINC000585104163 570930078 /nfs/dbraw/zinc/93/00/78/570930078.db2.gz JTMOESUHXDVSBY-OAQYLSRUSA-N 1 1 385.533 3.011 40 0 GGABMO COc1ccc(OC)c(C(=O)N2CCC[C@]3(CC[N@@H+]3Cc3c(C)noc3C)C2)c1 ZINC000585102373 570930493 /nfs/dbraw/zinc/93/04/93/570930493.db2.gz YLEUEBNMHSOUBE-QFIPXVFZSA-N 1 1 399.491 3.189 40 0 GGABMO COc1ccc(OC)c(C(=O)N2CCC[C@]3(CC[N@H+]3Cc3c(C)noc3C)C2)c1 ZINC000585102373 570930497 /nfs/dbraw/zinc/93/04/97/570930497.db2.gz YLEUEBNMHSOUBE-QFIPXVFZSA-N 1 1 399.491 3.189 40 0 GGABMO Cc1noc(C)c1CN1C[C@]2(CC1=O)COCC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC000585104396 570932849 /nfs/dbraw/zinc/93/28/49/570932849.db2.gz LVKXYRWVRLCEEL-HTAPYJJXSA-N 1 1 383.492 3.104 40 0 GGABMO O=C(NC1CCCCC1)c1nnc2n1CC[C@@H]1C[N@H+](Cc3cccs3)C[C@@H]21 ZINC000306123548 570935643 /nfs/dbraw/zinc/93/56/43/570935643.db2.gz APXAUTMTNCXQES-RHSMWYFYSA-N 1 1 385.537 3.021 40 0 GGABMO Cc1ccc(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)s1 ZINC000306125913 570936780 /nfs/dbraw/zinc/93/67/80/570936780.db2.gz DFIXBSHSCKGPJO-UNMCSNQZSA-N 1 1 397.544 3.059 40 0 GGABMO Cc1nc(COC[C@H]2CC[N@@H+](C)C3(CN(C(=O)CCC(C)C)C3)C2)cs1 ZINC000306125591 570936839 /nfs/dbraw/zinc/93/68/39/570936839.db2.gz CVBPNBIZDIHEBW-KRWDZBQOSA-N 1 1 379.570 3.327 40 0 GGABMO Cc1ccc(C[N@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(CC2CC2)C3=O)s1 ZINC000306125911 570936885 /nfs/dbraw/zinc/93/68/85/570936885.db2.gz DFIXBSHSCKGPJO-IRLDBZIGSA-N 1 1 397.544 3.059 40 0 GGABMO CCn1cc(C[N@H+]2CC[C@@]3(Cc4ncc(-c5ccccc5OC)n4C3)C2)cn1 ZINC000306126649 570937275 /nfs/dbraw/zinc/93/72/75/570937275.db2.gz FAXYSLUZHCGVJY-JOCHJYFZSA-N 1 1 377.492 3.224 40 0 GGABMO CN1CC[N@H+](Cc2ccsc2)C[C@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306128504 570937890 /nfs/dbraw/zinc/93/78/90/570937890.db2.gz HCJWQVSIIYNZIO-FQEVSTJZSA-N 1 1 390.516 3.342 40 0 GGABMO CN1CC[N@@H+](Cc2ccsc2)C[C@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306128504 570937892 /nfs/dbraw/zinc/93/78/92/570937892.db2.gz HCJWQVSIIYNZIO-FQEVSTJZSA-N 1 1 390.516 3.342 40 0 GGABMO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]21 ZINC000585109739 570937928 /nfs/dbraw/zinc/93/79/28/570937928.db2.gz NIOPQRYOSPURDQ-QNWVGRARSA-N 1 1 386.536 3.116 40 0 GGABMO O=C(CC1CCOCC1)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]21 ZINC000585109777 570938445 /nfs/dbraw/zinc/93/84/45/570938445.db2.gz SQMCEUIDIDZXLV-CNNODRBYSA-N 1 1 397.544 3.346 40 0 GGABMO COc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4cccnc4)C2)OC3)cc1 ZINC000306129671 570938706 /nfs/dbraw/zinc/93/87/06/570938706.db2.gz IJFNPKFQJHITTA-QFIPXVFZSA-N 1 1 376.460 3.129 40 0 GGABMO CC(C)C[N@H+]1CCO[C@]2(CCCC[C@H]2NC(=O)c2ccc3c(c2)CCCO3)C1 ZINC000306128815 570938782 /nfs/dbraw/zinc/93/87/82/570938782.db2.gz HLJZDIINVADPLE-FYYLOGMGSA-N 1 1 386.536 3.411 40 0 GGABMO COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000047032282 570938867 /nfs/dbraw/zinc/93/88/67/570938867.db2.gz QBJLODHFTIXVRX-SFHVURJKSA-N 1 1 396.459 3.089 40 0 GGABMO O=S(=O)(c1cc(F)cc(F)c1)N1CC[C@@H]2[C@H](C[N@H+]2CC2CCCCC2)C1 ZINC000585108002 570939751 /nfs/dbraw/zinc/93/97/51/570939751.db2.gz SXTPYADENXMVCK-DNVCBOLYSA-N 1 1 384.492 3.240 40 0 GGABMO Cc1ncsc1C[N@@H+]1C[C@@H]2[C@@H](C1)N(Cc1cccs1)C(=O)c1cccn12 ZINC000306131890 570939845 /nfs/dbraw/zinc/93/98/45/570939845.db2.gz KSDFSFTZDSWUTF-IAGOWNOFSA-N 1 1 384.530 3.396 40 0 GGABMO Cc1ncsc1C[N@H+]1C[C@@H]2[C@@H](C1)N(Cc1cccs1)C(=O)c1cccn12 ZINC000306131890 570939849 /nfs/dbraw/zinc/93/98/49/570939849.db2.gz KSDFSFTZDSWUTF-IAGOWNOFSA-N 1 1 384.530 3.396 40 0 GGABMO Cc1cccc(CS(=O)(=O)N2CC[C@@H]3[C@@H](C[N@H+]3CC3CCCCC3)C2)c1 ZINC000585107881 570939844 /nfs/dbraw/zinc/93/98/44/570939844.db2.gz APCZMRILRNABBR-LEWJYISDSA-N 1 1 376.566 3.411 40 0 GGABMO Cc1ncsc1C[N@@H+]1C[C@H]2[C@H](C1)N(Cc1cccs1)C(=O)c1cccn12 ZINC000306131891 570939931 /nfs/dbraw/zinc/93/99/31/570939931.db2.gz KSDFSFTZDSWUTF-IRXDYDNUSA-N 1 1 384.530 3.396 40 0 GGABMO Cc1ncsc1C[N@H+]1C[C@H]2[C@H](C1)N(Cc1cccs1)C(=O)c1cccn12 ZINC000306131891 570939932 /nfs/dbraw/zinc/93/99/32/570939932.db2.gz KSDFSFTZDSWUTF-IRXDYDNUSA-N 1 1 384.530 3.396 40 0 GGABMO O=C1NC2(CC[NH+](Cc3cccnc3)CC2)c2nc(-c3ccccc3)sc21 ZINC000306132832 570940323 /nfs/dbraw/zinc/94/03/23/570940323.db2.gz LTKZIEZBTSIMQY-UHFFFAOYSA-N 1 1 376.485 3.440 40 0 GGABMO Clc1ccccc1C[N@H+]1CCOC[C@]2(Cc3ncc(-c4cncnc4)n3C2)C1 ZINC000306132424 570940540 /nfs/dbraw/zinc/94/05/40/570940540.db2.gz LIGJERJJWHSYJT-OAQYLSRUSA-N 1 1 395.894 3.068 40 0 GGABMO Cc1cccc(C[N@H+]2C[C@@H]3CCn4c(C(=O)NC5CCCCC5)nnc4[C@H]3C2)c1 ZINC000306133174 570940842 /nfs/dbraw/zinc/94/08/42/570940842.db2.gz MDZNEVSFQCWXIH-ICSRJNTNSA-N 1 1 393.535 3.268 40 0 GGABMO Cc1cccc(C[N@@H+]2C[C@@H]3c4nnc(C(=O)NC5CCCCC5)n4CC[C@@H]3C2)c1 ZINC000306133175 570940966 /nfs/dbraw/zinc/94/09/66/570940966.db2.gz MDZNEVSFQCWXIH-QUCCMNQESA-N 1 1 393.535 3.268 40 0 GGABMO Cc1cccc(C[N@H+]2C[C@@H]3CCn4c(C(=O)NC5CCCCC5)nnc4[C@@H]3C2)c1 ZINC000306133173 570941078 /nfs/dbraw/zinc/94/10/78/570941078.db2.gz MDZNEVSFQCWXIH-AZUAARDMSA-N 1 1 393.535 3.268 40 0 GGABMO Cc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[C@@H](N4CCOCC4)C[C@H]23)no1 ZINC000306134128 570941386 /nfs/dbraw/zinc/94/13/86/570941386.db2.gz NEAZVQYXKWMKJJ-VJBWXMMDSA-N 1 1 381.520 3.380 40 0 GGABMO Cc1cc(CN2CC[C@]3(c4ccccc4)CC[C@@H]([NH+]4CCOCC4)C[C@H]23)no1 ZINC000306134128 570941389 /nfs/dbraw/zinc/94/13/89/570941389.db2.gz NEAZVQYXKWMKJJ-VJBWXMMDSA-N 1 1 381.520 3.380 40 0 GGABMO COCCn1ccnc1[C@@H]1C[N@H+](Cc2cccnc2OC)Cc2ccccc21 ZINC000306135005 570941433 /nfs/dbraw/zinc/94/14/33/570941433.db2.gz OEHSNLZNMLNYMD-HXUWFJFHSA-N 1 1 378.476 3.081 40 0 GGABMO COCCn1ccnc1[C@@H]1C[N@@H+](Cc2cccnc2OC)Cc2ccccc21 ZINC000306135005 570941436 /nfs/dbraw/zinc/94/14/36/570941436.db2.gz OEHSNLZNMLNYMD-HXUWFJFHSA-N 1 1 378.476 3.081 40 0 GGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccccn3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306135491 570941928 /nfs/dbraw/zinc/94/19/28/570941928.db2.gz OSRMFUITWKGIJI-NZQKXSOJSA-N 1 1 393.535 3.087 40 0 GGABMO c1c([C@@H]2C[N@H+](CC3CC3)CCN2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306135477 570941948 /nfs/dbraw/zinc/94/19/48/570941948.db2.gz OSATXTJYMZSGEL-NRFANRHFSA-N 1 1 379.552 3.413 40 0 GGABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccccn3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306135490 570942155 /nfs/dbraw/zinc/94/21/55/570942155.db2.gz OSRMFUITWKGIJI-NFBKMPQASA-N 1 1 393.535 3.087 40 0 GGABMO Cc1ccsc1C[N@H+]1C[C@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306136992 570942607 /nfs/dbraw/zinc/94/26/07/570942607.db2.gz QIMPDWXJQQAQHH-FXAWDEMLSA-N 1 1 399.541 3.212 40 0 GGABMO Cc1ccsc1C[N@@H+]1C[C@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306136992 570942613 /nfs/dbraw/zinc/94/26/13/570942613.db2.gz QIMPDWXJQQAQHH-FXAWDEMLSA-N 1 1 399.541 3.212 40 0 GGABMO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccn2)s1 ZINC000306136727 570942800 /nfs/dbraw/zinc/94/28/00/570942800.db2.gz QBBAXJIIJFLMOK-VQTJNVASSA-N 1 1 378.501 3.335 40 0 GGABMO CN1CC2(C1)C[N@@H+](Cc1ccco1)C[C@@]21CCCN(C(=O)c2ccsc2)CC1 ZINC000306137903 570943144 /nfs/dbraw/zinc/94/31/44/570943144.db2.gz RJTOLNPUUHYWQH-NRFANRHFSA-N 1 1 399.560 3.401 40 0 GGABMO C[NH+]1CC2(C1)CN(Cc1ccco1)C[C@@]21CCCN(C(=O)c2ccsc2)CC1 ZINC000306137903 570943149 /nfs/dbraw/zinc/94/31/49/570943149.db2.gz RJTOLNPUUHYWQH-NRFANRHFSA-N 1 1 399.560 3.401 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306138200 570943420 /nfs/dbraw/zinc/94/34/20/570943420.db2.gz RSEMHSHYZTWLAL-SFTDATJTSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccncc3)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000306138200 570943422 /nfs/dbraw/zinc/94/34/22/570943422.db2.gz RSEMHSHYZTWLAL-SFTDATJTSA-N 1 1 376.435 3.104 40 0 GGABMO O=C(C1CC(F)C1)N1CCO[C@H](c2[nH+]cn3cc(-c4ccncc4)ccc23)C1 ZINC000585113169 570943608 /nfs/dbraw/zinc/94/36/08/570943608.db2.gz UWGZNTXOGULTNJ-TVPLGVNVSA-N 1 1 380.423 3.044 40 0 GGABMO Cc1cccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)c1 ZINC000306138444 570943715 /nfs/dbraw/zinc/94/37/15/570943715.db2.gz RXQXCVISXHASLN-RTBURBONSA-N 1 1 387.487 3.143 40 0 GGABMO CC(C)n1cnc([C@H]2C[N@H+](C3CCC3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306138783 570943919 /nfs/dbraw/zinc/94/39/19/570943919.db2.gz SHLBBRFBZFMWTL-OFNKIYASSA-N 1 1 393.535 3.230 40 0 GGABMO Cc1ccsc1C[N@H+]1C[C@@H]2[C@@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 ZINC000306139229 570944221 /nfs/dbraw/zinc/94/42/21/570944221.db2.gz SSMZVMPVKAGDBS-RTBURBONSA-N 1 1 378.501 3.335 40 0 GGABMO Cc1csc(C[NH+]2CCC3(CC2)OCc2cnc(Nc4cccnc4)nc23)n1 ZINC000306139361 570944297 /nfs/dbraw/zinc/94/42/97/570944297.db2.gz SVISLPXNTTZWPD-UHFFFAOYSA-N 1 1 394.504 3.402 40 0 GGABMO Cc1ccsc1C[N@H+]1C[C@@H]2[C@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 ZINC000306139226 570944397 /nfs/dbraw/zinc/94/43/97/570944397.db2.gz SSMZVMPVKAGDBS-MOPGFXCFSA-N 1 1 378.501 3.335 40 0 GGABMO Cc1ccsc1C[N@@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccn1 ZINC000306139228 570944407 /nfs/dbraw/zinc/94/44/07/570944407.db2.gz SSMZVMPVKAGDBS-RBUKOAKNSA-N 1 1 378.501 3.335 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]32)cs1 ZINC000306141476 570945292 /nfs/dbraw/zinc/94/52/92/570945292.db2.gz VXHHJLNIKCHXJA-PMACEKPBSA-N 1 1 396.491 3.474 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]32)cs1 ZINC000306141476 570945293 /nfs/dbraw/zinc/94/52/93/570945293.db2.gz VXHHJLNIKCHXJA-PMACEKPBSA-N 1 1 396.491 3.474 40 0 GGABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccoc4)C[C@@H]32)cc1 ZINC000306141042 570945353 /nfs/dbraw/zinc/94/53/53/570945353.db2.gz VJONTMMXPDXXSC-SFTDATJTSA-N 1 1 377.444 3.171 40 0 GGABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccoc4)C[C@@H]32)cc1 ZINC000306141042 570945355 /nfs/dbraw/zinc/94/53/55/570945355.db2.gz VJONTMMXPDXXSC-SFTDATJTSA-N 1 1 377.444 3.171 40 0 GGABMO COc1ncccc1C[N@H+]1CC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306143032 570945783 /nfs/dbraw/zinc/94/57/83/570945783.db2.gz XRJIANNSWHKKKW-SFHVURJKSA-N 1 1 386.459 3.184 40 0 GGABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4cccs4)C[C@@H]32)cs1 ZINC000306142848 570945840 /nfs/dbraw/zinc/94/58/40/570945840.db2.gz XMJMAUBFBAHXFZ-ROUUACIJSA-N 1 1 384.530 3.396 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306142813 570945894 /nfs/dbraw/zinc/94/58/94/570945894.db2.gz XKRACPUMPIDHHU-LEWJYISDSA-N 1 1 376.435 3.104 40 0 GGABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000306142813 570945900 /nfs/dbraw/zinc/94/59/00/570945900.db2.gz XKRACPUMPIDHHU-LEWJYISDSA-N 1 1 376.435 3.104 40 0 GGABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccsc3)C[C@@H]1C2 ZINC000306142380 570945936 /nfs/dbraw/zinc/94/59/36/570945936.db2.gz WYCGDOUCNOMSHO-GJZGRUSLSA-N 1 1 397.479 3.035 40 0 GGABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccco3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306144368 570946277 /nfs/dbraw/zinc/94/62/77/570946277.db2.gz ZDLYHZOKBWCRLB-SIKLNZKXSA-N 1 1 382.508 3.285 40 0 GGABMO Cc1nc2c(n1CC1CC1)C[N@@H+](CC1CC1)CC21CCN(c2ncccn2)CC1 ZINC000306143526 570946474 /nfs/dbraw/zinc/94/64/74/570946474.db2.gz YEQHADUSXXTSFC-UHFFFAOYSA-N 1 1 392.551 3.155 40 0 GGABMO COc1ccc(-c2cnc3n2C[C@@H]2C[N@H+](Cc4cccnc4OC)C[C@@H]2C3)cc1 ZINC000306143809 570946616 /nfs/dbraw/zinc/94/66/16/570946616.db2.gz YNHLGPJMOVEZLT-OALUTQOASA-N 1 1 390.487 3.267 40 0 GGABMO CC(C)(C)CC[N@H+]1C[C@H]2CCn3c(C(=O)NCc4ccc(F)cc4)nnc3[C@@H]2C1 ZINC000306145134 570947056 /nfs/dbraw/zinc/94/70/56/570947056.db2.gz ZZDPSIJEVDHWRD-SJLPKXTDSA-N 1 1 399.514 3.203 40 0 GGABMO CC(C)(C)CC[N@H+]1C[C@@H]2CCn3c(C(=O)NCc4ccc(F)cc4)nnc3[C@H]2C1 ZINC000306145135 570947112 /nfs/dbraw/zinc/94/71/12/570947112.db2.gz ZZDPSIJEVDHWRD-WMZOPIPTSA-N 1 1 399.514 3.203 40 0 GGABMO Cc1ccc([C@@H]2C[N@@H+](CC(=O)N3CCC[C@H](C)C3)C[C@H]2c2csnn2)cc1 ZINC000019211969 570960925 /nfs/dbraw/zinc/96/09/25/570960925.db2.gz VLJMFDSPXLXCMV-YTQUADARSA-N 1 1 384.549 3.288 40 0 GGABMO Cc1ccc([C@@H]2C[N@@H+](CC(=O)N3CCCC[C@H]3C)C[C@H]2c2csnn2)cc1 ZINC000019211981 570960942 /nfs/dbraw/zinc/96/09/42/570960942.db2.gz IKDAAAQZAONJAF-NZSAHSFTSA-N 1 1 384.549 3.431 40 0 GGABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019235960 570966109 /nfs/dbraw/zinc/96/61/09/570966109.db2.gz DVWAANPTDJSYKB-HYVNUMGLSA-N 1 1 391.466 3.498 40 0 GGABMO COc1c(C)cccc1C[N@@H+]1CCc2nc(C3CCN(C(C)=O)CC3)ncc2C1 ZINC000019236003 570966212 /nfs/dbraw/zinc/96/62/12/570966212.db2.gz RDBBMWDOHCNZSZ-UHFFFAOYSA-N 1 1 394.519 3.078 40 0 GGABMO COc1c(C)cccc1C[N@H+]1CCc2nc(C3CCN(C(C)=O)CC3)ncc2C1 ZINC000019236003 570966215 /nfs/dbraw/zinc/96/62/15/570966215.db2.gz RDBBMWDOHCNZSZ-UHFFFAOYSA-N 1 1 394.519 3.078 40 0 GGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3CCCOc3ccccc3C)ncc2C1 ZINC000019237406 570967002 /nfs/dbraw/zinc/96/70/02/570967002.db2.gz KKDBRTWNYIZWNQ-NRFANRHFSA-N 1 1 394.519 3.296 40 0 GGABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+]3CCCOc3ccccc3C)ncc2C1 ZINC000019237406 570967006 /nfs/dbraw/zinc/96/70/06/570967006.db2.gz KKDBRTWNYIZWNQ-NRFANRHFSA-N 1 1 394.519 3.296 40 0 GGABMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)cc(OC)c1OC ZINC000019237699 570967505 /nfs/dbraw/zinc/96/75/05/570967505.db2.gz ISBMSLJSWZHXCB-IXFSTUDKSA-N 1 1 398.503 3.145 40 0 GGABMO Cc1cnn(CCC(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CC[N@@H+]3C)c1 ZINC000019240002 570968694 /nfs/dbraw/zinc/96/86/94/570968694.db2.gz UVXUZENWRFROEN-MQSCRBSSSA-N 1 1 380.536 3.451 40 0 GGABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCN(Cc2ccccc2F)C[C@@H]1C(C)C ZINC000019287710 570970590 /nfs/dbraw/zinc/97/05/90/570970590.db2.gz GRTFZNDGBILJCO-LAUBAEHRSA-N 1 1 386.515 3.336 40 0 GGABMO O=C(c1cc([C@H]2CCC[N@@H+](CC3CCCCC3)C2)no1)N1CCC(O)CC1 ZINC000019292170 570972220 /nfs/dbraw/zinc/97/22/20/570972220.db2.gz LGIAOOMKPAUMFT-KRWDZBQOSA-N 1 1 375.513 3.031 40 0 GGABMO Fc1cccc(Cl)c1C[N@H+]1CCC[C@H](Cn2nnc(-c3ccncc3)n2)C1 ZINC000019292584 570972846 /nfs/dbraw/zinc/97/28/46/570972846.db2.gz OBOTUKGQPXPPCG-AWEZNQCLSA-N 1 1 386.862 3.440 40 0 GGABMO FC(F)(F)c1[nH]c2ncccc2c1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000019345119 570977662 /nfs/dbraw/zinc/97/76/62/570977662.db2.gz BCLXCQIYBTXANW-AWEZNQCLSA-N 1 1 382.430 3.126 40 0 GGABMO O=C(NC1CC1)c1cc([C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)no1 ZINC000019347023 570978059 /nfs/dbraw/zinc/97/80/59/570978059.db2.gz OORNBEFDGOOIMU-QGZVFWFLSA-N 1 1 376.460 3.495 40 0 GGABMO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000019371978 570981138 /nfs/dbraw/zinc/98/11/38/570981138.db2.gz DYUVCZBPXIXLLP-LJQANCHMSA-N 1 1 376.460 3.379 40 0 GGABMO O=C(CC[N@@H+]1CCn2cnnc2C1)N1c2ccccc2Sc2ccccc21 ZINC000019375611 570982072 /nfs/dbraw/zinc/98/20/72/570982072.db2.gz HSKCITHBSBKZRX-UHFFFAOYSA-N 1 1 377.473 3.313 40 0 GGABMO O=C(CC[N@H+]1CCn2cnnc2C1)N1c2ccccc2Sc2ccccc21 ZINC000019375611 570982073 /nfs/dbraw/zinc/98/20/73/570982073.db2.gz HSKCITHBSBKZRX-UHFFFAOYSA-N 1 1 377.473 3.313 40 0 GGABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](CC2=CCCOC2)C1)c1ccccn1 ZINC000019400307 570982179 /nfs/dbraw/zinc/98/21/79/570982179.db2.gz ANOGUDGDFXJISU-MJGOQNOKSA-N 1 1 398.532 3.068 40 0 GGABMO c1csc(-c2nc(NCCC[NH+]3CCOCC3)ncc2-c2ccsc2)n1 ZINC000019406731 570983311 /nfs/dbraw/zinc/98/33/11/570983311.db2.gz KCRKEOGPQIPMAV-UHFFFAOYSA-N 1 1 387.534 3.463 40 0 GGABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)CCC3CCCC3)[nH]c(=O)c2C1 ZINC000019448234 570984226 /nfs/dbraw/zinc/98/42/26/570984226.db2.gz LKUWFXVSYNSJQF-LJQANCHMSA-N 1 1 386.540 3.170 40 0 GGABMO CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3)[nH]c2=O)C1 ZINC000019448365 570984973 /nfs/dbraw/zinc/98/49/73/570984973.db2.gz GCSCNXBZUGROOY-IBGZPJMESA-N 1 1 398.482 3.455 40 0 GGABMO CC(C)NC(=O)[C@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450072 570985015 /nfs/dbraw/zinc/98/50/15/570985015.db2.gz GONMDGZUVFALSK-PMACEKPBSA-N 1 1 399.583 3.197 40 0 GGABMO CC(=O)N1CCc2nc([C@H]3CC[N@H+](Cc4ccc(OC(C)C)cc4)C3)ncc2C1 ZINC000019450584 570985121 /nfs/dbraw/zinc/98/51/21/570985121.db2.gz BJPXBFJSZJXQHR-IBGZPJMESA-N 1 1 394.519 3.158 40 0 GGABMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)ccc1OC(C)C ZINC000019450752 570985153 /nfs/dbraw/zinc/98/51/53/570985153.db2.gz LYEGSZJBMLOXBU-VSOVRNOCSA-N 1 1 385.508 3.231 40 0 GGABMO CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](Cc1cnc(C(C)C)nc1)C2 ZINC000019454100 570986659 /nfs/dbraw/zinc/98/66/59/570986659.db2.gz BINATKFYJBESMW-HXUWFJFHSA-N 1 1 394.523 3.022 40 0 GGABMO CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](Cc1cnc(C(C)C)nc1)C2 ZINC000019454100 570986662 /nfs/dbraw/zinc/98/66/62/570986662.db2.gz BINATKFYJBESMW-HXUWFJFHSA-N 1 1 394.523 3.022 40 0 GGABMO COc1cc(C[N@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)ccc1OC(C)C ZINC000019453751 570986735 /nfs/dbraw/zinc/98/67/35/570986735.db2.gz VISVFVWQMSIZIL-UHFFFAOYSA-N 1 1 385.508 3.290 40 0 GGABMO CC(C)c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccc(Oc3ncccn3)c1)CC2 ZINC000019453771 570986766 /nfs/dbraw/zinc/98/67/66/570986766.db2.gz RWZJWPHIWYNXSN-UHFFFAOYSA-N 1 1 391.475 3.076 40 0 GGABMO CC(=O)N1CCC(c2ncc3c(n2)CC[N@H+]([C@H](C)Cc2ccc(F)cc2)C3)CC1 ZINC000019456793 570987261 /nfs/dbraw/zinc/98/72/61/570987261.db2.gz GVGUGNOSUKBDNK-MRXNPFEDSA-N 1 1 396.510 3.331 40 0 GGABMO C[C@@H](Cn1cccn1)C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019457642 570987592 /nfs/dbraw/zinc/98/75/92/570987592.db2.gz ZDPLOTFNUIBRLE-UVUJQTEASA-N 1 1 380.536 3.388 40 0 GGABMO CC1(C)Cc2cc(C[N@H+]3CC[C@@H](c4nnc(-c5cnccn5)o4)C3)ccc2O1 ZINC000019461731 570988747 /nfs/dbraw/zinc/98/87/47/570988747.db2.gz ZQJFGDQLHIHKAK-OAHLLOKOSA-N 1 1 377.448 3.230 40 0 GGABMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](c1nccn1C)c1ccccc1 ZINC000045232545 570988807 /nfs/dbraw/zinc/98/88/07/570988807.db2.gz IIWWBAUJOUJHHZ-ICSRJNTNSA-N 1 1 383.540 3.463 40 0 GGABMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2C[C@@H](c3ccccc3)[C@H](c3csnn3)C2)C1 ZINC000019462539 570989019 /nfs/dbraw/zinc/98/90/19/570989019.db2.gz RRHAZWNVHZOWBE-OGWHTMIXSA-N 1 1 384.549 3.226 40 0 GGABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)C4CC4)[nH]c(=O)c3C2)CC1 ZINC000019495974 570989560 /nfs/dbraw/zinc/98/95/60/570989560.db2.gz DWDDHBCGBTYEBV-GSQSYGFSSA-N 1 1 384.524 3.193 40 0 GGABMO CC(C)c1ccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1 ZINC000019497581 570990450 /nfs/dbraw/zinc/99/04/50/570990450.db2.gz IGMNMCBHPSQMMP-IAGOWNOFSA-N 1 1 396.535 3.478 40 0 GGABMO CC(C)c1ccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1 ZINC000019497581 570990454 /nfs/dbraw/zinc/99/04/54/570990454.db2.gz IGMNMCBHPSQMMP-IAGOWNOFSA-N 1 1 396.535 3.478 40 0 GGABMO CCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3c(C)nc4ccccn43)C2)no1 ZINC000019503666 570993283 /nfs/dbraw/zinc/99/32/83/570993283.db2.gz KMOAFEWLYOAMED-MRXNPFEDSA-N 1 1 381.480 3.150 40 0 GGABMO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000108938014 570993340 /nfs/dbraw/zinc/99/33/40/570993340.db2.gz RUMJSJSRRROLSH-OLZOCXBDSA-N 1 1 388.386 3.187 40 0 GGABMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000108938014 570993347 /nfs/dbraw/zinc/99/33/47/570993347.db2.gz RUMJSJSRRROLSH-OLZOCXBDSA-N 1 1 388.386 3.187 40 0 GGABMO C[C@H](NC(=O)c1ccco1)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000109037574 570995724 /nfs/dbraw/zinc/99/57/24/570995724.db2.gz PWDSQWIQIVLANH-KSZLIROESA-N 1 1 397.519 3.192 40 0 GGABMO CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000019523564 570995921 /nfs/dbraw/zinc/99/59/21/570995921.db2.gz FKRPXNWMZVOUOB-HNNXBMFYSA-N 1 1 383.521 3.040 40 0 GGABMO CCCc1ccc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3CC2)s1 ZINC000019525492 570997250 /nfs/dbraw/zinc/99/72/50/570997250.db2.gz VCCAQYCCWIIUHD-UHFFFAOYSA-N 1 1 380.517 3.447 40 0 GGABMO CCN(CC)c1ncc(CN2C[C@H](C[NH+]3CCOCC3)c3ccccc32)s1 ZINC000019526516 570997756 /nfs/dbraw/zinc/99/77/56/570997756.db2.gz FCJVFUFYBMNJOS-KRWDZBQOSA-N 1 1 386.565 3.425 40 0 GGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000019527135 570997815 /nfs/dbraw/zinc/99/78/15/570997815.db2.gz XSEVLJIDLWZVEW-GOSISDBHSA-N 1 1 398.576 3.425 40 0 GGABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccnn1[C@@H]1CCCCO1)Cc1ccccn1 ZINC000019527171 570997892 /nfs/dbraw/zinc/99/78/92/570997892.db2.gz OZTWTTDLLHEPNA-IRLDBZIGSA-N 1 1 383.540 3.464 40 0 GGABMO CCOc1ncc([C@]2(O)CC[C@H]3C[N@@H+](CC4CCCCC4)C[C@H]32)c(OCC)n1 ZINC000019531775 570999335 /nfs/dbraw/zinc/99/93/35/570999335.db2.gz MOHBQOMDTQYSON-LRXVAGHRSA-N 1 1 389.540 3.384 40 0 GGABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc1OC ZINC000019533796 570999832 /nfs/dbraw/zinc/99/98/32/570999832.db2.gz SCHKRMQKCZLIMZ-KRWDZBQOSA-N 1 1 395.507 3.407 40 0 GGABMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c(F)c1 ZINC000019551777 571001296 /nfs/dbraw/zinc/00/12/96/571001296.db2.gz RHFNXIVBYOADSS-KRWDZBQOSA-N 1 1 394.450 3.359 40 0 GGABMO COc1ccc(C(=O)N2C[C@H]3CCC[N@@H+](Cc4ccccc4OC)[C@H]3C2)cc1 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0 GGABMO Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)[nH+]1 ZINC000019698119 571030558 /nfs/dbraw/zinc/03/05/58/571030558.db2.gz GBDOWDBBDOCWHZ-QFIPXVFZSA-N 1 1 396.510 3.187 40 0 GGABMO Cc1nc2ccc(C(=O)N3CCC[C@H](c4cc(C[NH+](C)C)n(C)n4)C3)cc2s1 ZINC000019709008 571033479 /nfs/dbraw/zinc/03/34/79/571033479.db2.gz DQWDHMJRHFUOLK-INIZCTEOSA-N 1 1 397.548 3.420 40 0 GGABMO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@@H]3Cn3cccn3)c2)cs1 ZINC000019714123 571035571 /nfs/dbraw/zinc/03/55/71/571035571.db2.gz GSCHQLBGRAYWMA-GOSISDBHSA-N 1 1 381.505 3.418 40 0 GGABMO C[C@@H]1CCCN(c2ncc(C[N@H+](C)Cc3ccccc3N3CCOCC3)cn2)C1 ZINC000019715678 571037186 /nfs/dbraw/zinc/03/71/86/571037186.db2.gz KKLHVQHDYCOKOI-LJQANCHMSA-N 1 1 395.551 3.182 40 0 GGABMO C[C@@H]1CCCN(c2ncc(C[N@@H+](C)Cc3ccccc3N3CCOCC3)cn2)C1 ZINC000019715678 571037187 /nfs/dbraw/zinc/03/71/87/571037187.db2.gz KKLHVQHDYCOKOI-LJQANCHMSA-N 1 1 395.551 3.182 40 0 GGABMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC(=O)Nc2cnn(C)c2)C1 ZINC000019715508 571037478 /nfs/dbraw/zinc/03/74/78/571037478.db2.gz CXXMMSJPMONYMY-INIZCTEOSA-N 1 1 380.496 3.169 40 0 GGABMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC(=O)Nc2cnn(C)c2)C1 ZINC000019715508 571037483 /nfs/dbraw/zinc/03/74/83/571037483.db2.gz CXXMMSJPMONYMY-INIZCTEOSA-N 1 1 380.496 3.169 40 0 GGABMO O=C(C[N@@H+]1CCC[C@@H](Cn2ccnc2)C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000019716006 571037659 /nfs/dbraw/zinc/03/76/59/571037659.db2.gz NJWULSRNOGNCJW-OAHLLOKOSA-N 1 1 399.495 3.496 40 0 GGABMO O=C(C[N@H+]1CCC[C@@H](Cn2ccnc2)C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000019716006 571037663 /nfs/dbraw/zinc/03/76/63/571037663.db2.gz NJWULSRNOGNCJW-OAHLLOKOSA-N 1 1 399.495 3.496 40 0 GGABMO Cc1[nH+]ccn1Cc1cccc(NC(=O)c2sc3[nH]cnc(=O)c3c2C)c1 ZINC000019717805 571040672 /nfs/dbraw/zinc/04/06/72/571040672.db2.gz KXIYPAYEPUPYSM-UHFFFAOYSA-N 1 1 379.445 3.099 40 0 GGABMO CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000004315121 1398391757 /nfs/dbraw/zinc/39/17/57/1398391757.db2.gz PNICKOYBSSHDFI-UHFFFAOYSA-N 1 1 391.475 3.339 40 0 GGABMO CC(=O)NCCn1nc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000012219508 1399034074 /nfs/dbraw/zinc/03/40/74/1399034074.db2.gz GGBFITWPTUYOER-GOSISDBHSA-N 1 1 395.482 3.086 40 0 GGABMO CC(=O)NCCn1nc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c2cccnc21 ZINC000012219514 1399034148 /nfs/dbraw/zinc/03/41/48/1399034148.db2.gz PRVLXWDXLUWWFS-GOSISDBHSA-N 1 1 395.482 3.086 40 0 GGABMO CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(C2CCCCC2)nn1C ZINC000012602067 1399050455 /nfs/dbraw/zinc/05/04/55/1399050455.db2.gz NREAIRDFHMJAIR-OTWHNJEPSA-N 1 1 387.572 3.353 40 0 biogenic,in-vitro GGABMO CC(=O)N1Cc2ccccc2O[C@@H]([C@H]2CCC[N@@H+](Cc3ccncc3C)C2)C1 ZINC000019239512 1399328560 /nfs/dbraw/zinc/32/85/60/1399328560.db2.gz JSTZTLMGBSLWOX-NZQKXSOJSA-N 1 1 379.504 3.412 40 0 GGABMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000019296528 1399329119 /nfs/dbraw/zinc/32/91/19/1399329119.db2.gz ZDZPZVNIHCDTRX-UHFFFAOYSA-N 1 1 377.410 3.462 40 0 GGABMO Cc1ncc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)cn1 ZINC000019287220 1399329124 /nfs/dbraw/zinc/32/91/24/1399329124.db2.gz AUUNEHWRMHNJAC-RBBKRZOGSA-N 1 1 393.535 3.440 40 0 GGABMO C[C@@H]1C[N@H+](CCC(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)C[C@H](C)O1 ZINC000019497499 1399330856 /nfs/dbraw/zinc/33/08/56/1399330856.db2.gz ABIRWLQPCALRDR-ZIFCJYIRSA-N 1 1 396.535 3.022 40 0 GGABMO CC[N@@H+](Cc1ccnc(N2CCCC2)n1)[C@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019703899 1399335432 /nfs/dbraw/zinc/33/54/32/1399335432.db2.gz MHSQKJDYYHFUCF-HXUWFJFHSA-N 1 1 385.556 3.222 40 0 GGABMO Cc1cc(N2CCN(C)CC2)cc([C@H]2CCN(C(=O)CC3CCCCC3)C2)[nH+]1 ZINC000019705309 1399335452 /nfs/dbraw/zinc/33/54/52/1399335452.db2.gz UPOAAUGRDVWUAP-FQEVSTJZSA-N 1 1 384.568 3.428 40 0 GGABMO Cc1[nH+]ccn1CCC(=O)N1CC[C@@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1 ZINC000019704691 1399335498 /nfs/dbraw/zinc/33/54/98/1399335498.db2.gz KIYZAASRBBJZFS-MRXNPFEDSA-N 1 1 397.454 3.039 40 0 GGABMO c1cc(CN2CCc3nnc([C@@H]4CCC[NH2+]4)n3CC2)cc(OC2CCCC2)c1 ZINC000019706403 1399335619 /nfs/dbraw/zinc/33/56/19/1399335619.db2.gz PSHADBSRBWNOJF-FQEVSTJZSA-N 1 1 381.524 3.082 40 0 GGABMO CCOc1ccc(C[N@H+]2CCCC[C@@H]3[C@H]2CCN3C(C)=O)cc1Cn1cccn1 ZINC000019712572 1399336022 /nfs/dbraw/zinc/33/60/22/1399336022.db2.gz OVOMVHWRYOUDMN-FGZHOGPDSA-N 1 1 396.535 3.305 40 0 GGABMO CC(=O)N1CCC[C@@H](c2nnc3n2CC[N@H+](Cc2ccc(C(C)C)cc2)CC3)C1 ZINC000019709531 1399336050 /nfs/dbraw/zinc/33/60/50/1399336050.db2.gz SWHTUNLVNFYNSB-OAQYLSRUSA-N 1 1 395.551 3.186 40 0 GGABMO CN(C)c1ccc2cc(C(=O)N3CCC[C@@H]3c3cc(C[NH+](C)C)n(C)n3)[nH]c2c1 ZINC000019710067 1399336186 /nfs/dbraw/zinc/33/61/86/1399336186.db2.gz XCNJBKPTZKUTLW-OAQYLSRUSA-N 1 1 394.523 3.006 40 0 GGABMO CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(C[N@H+](C)Cc3ccnn3C)cc2)C1 ZINC000019712073 1399336226 /nfs/dbraw/zinc/33/62/26/1399336226.db2.gz JJPMBCBIPKWSTG-IRLDBZIGSA-N 1 1 384.524 3.141 40 0 GGABMO CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(C[N@@H+](C)Cc3ccnn3C)cc2)C1 ZINC000019712073 1399336233 /nfs/dbraw/zinc/33/62/33/1399336233.db2.gz JJPMBCBIPKWSTG-IRLDBZIGSA-N 1 1 384.524 3.141 40 0 GGABMO Cn1cc(C(=O)N2[C@H](Cc3ccccc3)C[C@H]3[C@H]2CCCCC[N@H+]3C)ccc1=O ZINC000019713059 1399336729 /nfs/dbraw/zinc/33/67/29/1399336729.db2.gz KESRTEWGIGWTFW-VSKRKVRLSA-N 1 1 393.531 3.086 40 0 GGABMO CCc1ncc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)cn1 ZINC000019712862 1399336847 /nfs/dbraw/zinc/33/68/47/1399336847.db2.gz CYKOECJLFZMQIC-JQVVWYNYSA-N 1 1 382.483 3.205 40 0 GGABMO COc1ccc(/C=C/C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(OC)c1OC ZINC000019727666 1399337213 /nfs/dbraw/zinc/33/72/13/1399337213.db2.gz IQLOSHRPFHXDKW-ZRDIBKRKSA-N 1 1 396.487 3.070 40 0 GGABMO COc1cc2c(cc1C[N@H+]1CC[C@@]3(C)[C@@H]1CCCCCN3C(C)=O)OCCO2 ZINC000019713377 1399337360 /nfs/dbraw/zinc/33/73/60/1399337360.db2.gz BEOKIDHFRSQMNU-VXKWHMMOSA-N 1 1 388.508 3.222 40 0 GGABMO COc1ccc(CC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 ZINC000020111904 1399343006 /nfs/dbraw/zinc/34/30/06/1399343006.db2.gz MHDVDVAKLLLRGN-SFHVURJKSA-N 1 1 383.444 3.163 40 0 biogenic GGABMO COc1ccc(CC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1 ZINC000020111904 1399343014 /nfs/dbraw/zinc/34/30/14/1399343014.db2.gz MHDVDVAKLLLRGN-SFHVURJKSA-N 1 1 383.444 3.163 40 0 biogenic GGABMO CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020139241 1399343074 /nfs/dbraw/zinc/34/30/74/1399343074.db2.gz CHQFGXHZCZGOLS-NRFANRHFSA-N 1 1 390.535 3.335 40 0 GGABMO Cc1ccc(-c2noc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000020155638 1399343466 /nfs/dbraw/zinc/34/34/66/1399343466.db2.gz UCQFRJJBBCGANK-UHFFFAOYSA-N 1 1 390.487 3.322 40 0 GGABMO CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)N1CC[NH+](C)CC1)CCCC2 ZINC000020192215 1399343823 /nfs/dbraw/zinc/34/38/23/1399343823.db2.gz MSDGNMMYVMSQEX-HXUWFJFHSA-N 1 1 384.549 3.317 40 0 GGABMO Cc1cc(C)cc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)c1 ZINC000020467805 1399347198 /nfs/dbraw/zinc/34/71/98/1399347198.db2.gz VTLSCHGOANSFGE-UHFFFAOYSA-N 1 1 386.521 3.296 40 0 GGABMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(C(C)C)cc2)CC1 ZINC000020807261 1399353925 /nfs/dbraw/zinc/35/39/25/1399353925.db2.gz MZSIYAOVMVOLMD-FQEVSTJZSA-N 1 1 384.520 3.381 40 0 GGABMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000027698553 1400078536 /nfs/dbraw/zinc/07/85/36/1400078536.db2.gz JCEIYOVXVQPCHJ-IHWFROFDSA-N 1 1 378.472 3.383 40 0 GGABMO Cc1ccc(-c2cc(C[N@@H+](C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)on2)cc1 ZINC000029703478 1400339657 /nfs/dbraw/zinc/33/96/57/1400339657.db2.gz QXHLCEJYNLKZIB-OAHLLOKOSA-N 1 1 385.489 3.490 40 0 GGABMO Cc1ccc(-c2cc(C[N@H+](C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)on2)cc1 ZINC000029703478 1400339660 /nfs/dbraw/zinc/33/96/60/1400339660.db2.gz QXHLCEJYNLKZIB-OAHLLOKOSA-N 1 1 385.489 3.490 40 0 GGABMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CC1 ZINC000056290836 1407282535 /nfs/dbraw/zinc/28/25/35/1407282535.db2.gz YILVLDLYRBYVPJ-UHFFFAOYSA-N 1 1 391.393 3.345 40 0 GGABMO CCOc1ccc(-c2nnc([C@H]([NH3+])c3ccc(OC)c(OCC)c3)[nH]2)cc1OC ZINC000095534490 1410315140 /nfs/dbraw/zinc/31/51/40/1410315140.db2.gz DZYSPXCWHNGHKD-LJQANCHMSA-N 1 1 398.463 3.334 40 0 GGABMO C[N@H+](CCO)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(Cl)c1Cl ZINC000226817923 1433368982 /nfs/dbraw/zinc/36/89/82/1433368982.db2.gz KHYQQLYISLOMKE-HNNXBMFYSA-N 1 1 396.274 3.188 40 0 GGABMO C[N@@H+](CCO)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(Cl)c1Cl ZINC000226817923 1433368986 /nfs/dbraw/zinc/36/89/86/1433368986.db2.gz KHYQQLYISLOMKE-HNNXBMFYSA-N 1 1 396.274 3.188 40 0 GGABMO C[N@H+](CCO)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccc(Cl)c1Cl ZINC000226817912 1433369056 /nfs/dbraw/zinc/36/90/56/1433369056.db2.gz KHYQQLYISLOMKE-OAHLLOKOSA-N 1 1 396.274 3.188 40 0 GGABMO C[N@@H+](CCO)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccc(Cl)c1Cl ZINC000226817912 1433369058 /nfs/dbraw/zinc/36/90/58/1433369058.db2.gz KHYQQLYISLOMKE-OAHLLOKOSA-N 1 1 396.274 3.188 40 0 GGABMO C[C@H](c1cccc(F)c1)n1cc(C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)nn1 ZINC000253608590 1433870447 /nfs/dbraw/zinc/87/04/47/1433870447.db2.gz KANRNHBJMFSSEH-IXDOHACOSA-N 1 1 387.503 3.409 40 0 GGABMO