smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)[NH+]1CCC2(CC1)OCCO2 ZINC000058012552 205163192 /nfs/dbraw/zinc/16/31/92/205163192.db2.gz VXNJRIQJFFZGHR-HXUWFJFHSA-N 1 1 396.443 2.934 10 0 GFAEMO O=C(Nc1cccnc1)c1ccc(C[N@H+]2CCCN(c3ncccn3)CC2)cc1 ZINC000065376666 205232194 /nfs/dbraw/zinc/23/21/94/205232194.db2.gz QWECBRMJEGGAJS-UHFFFAOYSA-N 1 1 388.475 2.836 10 0 GFAEMO C[N@H+]1CC[C@@](C)(CNC(=O)c2coc(COc3cccc4cnccc43)n2)C1 ZINC000067674199 205254745 /nfs/dbraw/zinc/25/47/45/205254745.db2.gz SSBQNVSLKVWYQS-NRFANRHFSA-N 1 1 380.448 2.873 10 0 GFAEMO O=C(c1ccc(Cl)c(I)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000049516023 551158742 /nfs/dbraw/zinc/15/87/42/551158742.db2.gz KIVMAAUFCMPXNK-NSHDSACASA-N 1 1 390.652 2.865 10 0 GFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000113271246 551207549 /nfs/dbraw/zinc/20/75/49/551207549.db2.gz VNQXRLYHGGDBRW-TZMCWYRMSA-N 1 1 377.337 2.936 10 0 GFAEMO Brc1cc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc2c1OCCCO2 ZINC000120957408 551223950 /nfs/dbraw/zinc/22/39/50/551223950.db2.gz FKSFIZSEBODRPI-HNNXBMFYSA-N 1 1 397.313 2.517 10 0 GFAEMO Brc1cc(C[N@H+]2CC[C@H](N3CCOCC3)C2)cc2c1OCCCO2 ZINC000120957408 551223951 /nfs/dbraw/zinc/22/39/51/551223951.db2.gz FKSFIZSEBODRPI-HNNXBMFYSA-N 1 1 397.313 2.517 10 0 GFAEMO Brc1cc(CN2CC[C@H]([NH+]3CCOCC3)C2)cc2c1OCCCO2 ZINC000120957408 551223952 /nfs/dbraw/zinc/22/39/52/551223952.db2.gz FKSFIZSEBODRPI-HNNXBMFYSA-N 1 1 397.313 2.517 10 0 GFAEMO COc1ccc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1Br ZINC000155155744 551493260 /nfs/dbraw/zinc/49/32/60/551493260.db2.gz ITYUGRHDNDKAGT-UHFFFAOYSA-N 1 1 393.329 2.899 10 0 GFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)C1 ZINC000155597107 551503297 /nfs/dbraw/zinc/50/32/97/551503297.db2.gz ASLVZINDOYVONH-DIOULYMOSA-N 1 1 381.929 2.988 10 0 GFAEMO C[C@H](CNC(=O)N[C@@H](C)c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000156176358 551516476 /nfs/dbraw/zinc/51/64/76/551516476.db2.gz YLXGLBIHRPQGAM-KGLIPLIRSA-N 1 1 384.318 2.778 10 0 GFAEMO O=C(c1ccn(-c2cccc(Br)c2)n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000170946085 551643391 /nfs/dbraw/zinc/64/33/91/551643391.db2.gz ZQNVWSMFMKSVJN-OAHLLOKOSA-N 1 1 375.270 2.555 10 0 GFAEMO O=C(NCC1(c2cccc(Br)c2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172155140 551672051 /nfs/dbraw/zinc/67/20/51/551672051.db2.gz MPLMSPYCVWZTMI-MRXNPFEDSA-N 1 1 378.314 2.970 10 0 GFAEMO Cc1cc(Br)ccc1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177707239 552157327 /nfs/dbraw/zinc/15/73/27/552157327.db2.gz MXGRSUMRQLHHNV-CZUORRHYSA-N 1 1 382.302 2.942 10 0 GFAEMO Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000179410544 552192338 /nfs/dbraw/zinc/19/23/38/552192338.db2.gz RXWIMXBCEDIKHZ-INIZCTEOSA-N 1 1 389.297 2.863 10 0 GFAEMO CC[C@H]1CN(C[C@H](O)c2ccc(F)c(Br)c2)CC[N@H+]1CCOC ZINC000185002393 552350614 /nfs/dbraw/zinc/35/06/14/552350614.db2.gz UBPAOVQWSHAOAR-YOEHRIQHSA-N 1 1 389.309 2.664 10 0 GFAEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)NCCc2nccs2)C1 ZINC000190703544 552506348 /nfs/dbraw/zinc/50/63/48/552506348.db2.gz XFKJDWDUINJJCN-CQSZACIVSA-N 1 1 379.555 2.614 10 0 GFAEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000192934761 552978646 /nfs/dbraw/zinc/97/86/46/552978646.db2.gz BACNRYNZJNAUGZ-MRXNPFEDSA-N 1 1 379.551 2.903 10 0 GFAEMO CCCCOC[C@H](O)C[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000195135535 553038889 /nfs/dbraw/zinc/03/88/89/553038889.db2.gz IPBSLMPEQMIJNQ-OAHLLOKOSA-N 1 1 387.318 2.805 10 0 GFAEMO CCCCOC[C@H](O)C[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000195135535 553038893 /nfs/dbraw/zinc/03/88/93/553038893.db2.gz IPBSLMPEQMIJNQ-OAHLLOKOSA-N 1 1 387.318 2.805 10 0 GFAEMO CCc1csc([C@H]2CCC[N@H+](CCNS(=O)(=O)c3ccccc3)C2)n1 ZINC000195383453 553046923 /nfs/dbraw/zinc/04/69/23/553046923.db2.gz ZUNLLZIJOFUQSG-HNNXBMFYSA-N 1 1 379.551 2.863 10 0 GFAEMO CCc1csc([C@H]2CCC[N@@H+](CCNS(=O)(=O)c3ccccc3)C2)n1 ZINC000195383453 553046927 /nfs/dbraw/zinc/04/69/27/553046927.db2.gz ZUNLLZIJOFUQSG-HNNXBMFYSA-N 1 1 379.551 2.863 10 0 GFAEMO CC[C@@H]1CN(C(=O)[C@H](C)c2ccc(Br)cc2)CC[N@H+]1C[C@@H](C)O ZINC000245952288 553099831 /nfs/dbraw/zinc/09/98/31/553099831.db2.gz SREOWWVEYKOUQS-CKEIUWERSA-N 1 1 383.330 2.856 10 0 GFAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000246404627 553106947 /nfs/dbraw/zinc/10/69/47/553106947.db2.gz LPRACSJLGDZCKC-NWDGAFQWSA-N 1 1 378.523 2.655 10 0 GFAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000246928503 553115546 /nfs/dbraw/zinc/11/55/46/553115546.db2.gz HAHUJDZILHWBIZ-SWLSCSKDSA-N 1 1 375.332 2.597 10 0 GFAEMO COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H]1C ZINC000247071002 553118054 /nfs/dbraw/zinc/11/80/54/553118054.db2.gz KSNPPGCXKNSTJB-XOKHGSTOSA-N 1 1 381.314 2.732 10 0 GFAEMO COCC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H]1C ZINC000247071002 553118056 /nfs/dbraw/zinc/11/80/56/553118056.db2.gz KSNPPGCXKNSTJB-XOKHGSTOSA-N 1 1 381.314 2.732 10 0 GFAEMO C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)Oc1ccccc1Br ZINC000247383364 553122137 /nfs/dbraw/zinc/12/21/37/553122137.db2.gz URJONOPFOLSZCH-KGLIPLIRSA-N 1 1 382.302 2.706 10 0 GFAEMO CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000247568912 553123906 /nfs/dbraw/zinc/12/39/06/553123906.db2.gz GYFBOGIWJCYXJW-HUUCEWRRSA-N 1 1 398.345 2.819 10 0 GFAEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000247568912 553123907 /nfs/dbraw/zinc/12/39/07/553123907.db2.gz GYFBOGIWJCYXJW-HUUCEWRRSA-N 1 1 398.345 2.819 10 0 GFAEMO COC(=O)[C@H](C)[N@H+](C[C@@H](O)COc1cccc(Br)c1)C1CCC1 ZINC000248824370 553135511 /nfs/dbraw/zinc/13/55/11/553135511.db2.gz WPACBQBJUXYPQF-SWLSCSKDSA-N 1 1 386.286 2.605 10 0 GFAEMO COC(=O)[C@H](C)[N@@H+](C[C@@H](O)COc1cccc(Br)c1)C1CCC1 ZINC000248824370 553135513 /nfs/dbraw/zinc/13/55/13/553135513.db2.gz WPACBQBJUXYPQF-SWLSCSKDSA-N 1 1 386.286 2.605 10 0 GFAEMO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000261638885 553155242 /nfs/dbraw/zinc/15/52/42/553155242.db2.gz KQNHERGTLLDKQM-BTOWRCTQSA-N 1 1 377.286 2.961 10 0 GFAEMO [NH3+]Cc1nc(CN2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)no1 ZINC000261776186 553159334 /nfs/dbraw/zinc/15/93/34/553159334.db2.gz PEWMTPPSQCFJHB-CYBMUJFWSA-N 1 1 384.267 2.828 10 0 GFAEMO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000389951761 563522981 /nfs/dbraw/zinc/52/29/81/563522981.db2.gz DOXLXZUERCSVPE-SNVBAGLBSA-N 1 1 378.641 2.769 10 0 GFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2cccc(I)c2)C1 ZINC000127361153 654827505 /nfs/dbraw/zinc/82/75/05/654827505.db2.gz ZZHYHNQALRTUJD-DOMZBBRYSA-N 1 1 386.277 2.679 10 0 GFAEMO CC(C)[N@@H+]1C[C@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)[C@@H](C)C1 ZINC000132382229 654936220 /nfs/dbraw/zinc/93/62/20/654936220.db2.gz HROOGJSHWBRGBB-FZMZJTMJSA-N 1 1 398.301 2.706 10 0 GFAEMO CN1CC[N@@H+](C)CC12CCN(C(=O)NCc1ccc(Cl)cc1Cl)CC2 ZINC000067851081 654946177 /nfs/dbraw/zinc/94/61/77/654946177.db2.gz GOFHSTDROQLSCT-UHFFFAOYSA-N 1 1 385.339 2.915 10 0 GFAEMO CN1CC[N@H+](C)C2(CCN(C(=O)NCc3ccc(Cl)cc3Cl)CC2)C1 ZINC000067851081 654946182 /nfs/dbraw/zinc/94/61/82/654946182.db2.gz GOFHSTDROQLSCT-UHFFFAOYSA-N 1 1 385.339 2.915 10 0 GFAEMO CN1CC[N@@H+](C)C2(CCN(C(=O)NCc3ccc(Cl)cc3Cl)CC2)C1 ZINC000067851081 654946183 /nfs/dbraw/zinc/94/61/83/654946183.db2.gz GOFHSTDROQLSCT-UHFFFAOYSA-N 1 1 385.339 2.915 10 0 GFAEMO CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000071193012 654999812 /nfs/dbraw/zinc/99/98/12/654999812.db2.gz SXOJYIGBDNDNMG-SNVBAGLBSA-N 1 1 381.723 2.675 10 0 GFAEMO COC(=O)[C@@H]1CCC[N@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000151638187 655053214 /nfs/dbraw/zinc/05/32/14/655053214.db2.gz HPSZMNVULRORCB-CQSZACIVSA-N 1 1 393.285 2.859 10 0 GFAEMO COC(=O)[C@@H]1CCC[N@@H+](Cn2nc(-c3ccc(Br)cc3)nc2C)C1 ZINC000151638187 655053215 /nfs/dbraw/zinc/05/32/15/655053215.db2.gz HPSZMNVULRORCB-CQSZACIVSA-N 1 1 393.285 2.859 10 0 GFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000106394062 655107862 /nfs/dbraw/zinc/10/78/62/655107862.db2.gz WLKUUTRESZWNST-MRXNPFEDSA-N 1 1 383.330 2.642 10 0 GFAEMO C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1Br)CN1CC[NH+](C)CC1 ZINC000173400298 655170076 /nfs/dbraw/zinc/17/00/76/655170076.db2.gz FAAONALWDYGSQE-GJZGRUSLSA-N 1 1 397.361 2.693 10 0 GFAEMO C[C@H](CNC(=O)N[C@@H](C)c1cccc(Br)c1)CN1CC[NH+](C)CC1 ZINC000173791962 655181405 /nfs/dbraw/zinc/18/14/05/655181405.db2.gz BKLAWBUNYCCNFI-CABCVRRESA-N 1 1 397.361 2.693 10 0 GFAEMO CN1CCO[C@H](C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000113336799 655207994 /nfs/dbraw/zinc/20/79/94/655207994.db2.gz SUGIIDYOVUQGCU-OAHLLOKOSA-N 1 1 382.327 2.993 10 0 GFAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000115372528 655236352 /nfs/dbraw/zinc/23/63/52/655236352.db2.gz YXEQRICSCUIAOA-LBPRGKRZSA-N 1 1 398.248 2.856 10 0 GFAEMO CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CC[N@@H+]1CCOC ZINC000117526507 655265524 /nfs/dbraw/zinc/26/55/24/655265524.db2.gz VMNDILPZJZEGMO-LBPRGKRZSA-N 1 1 388.295 2.501 10 0 GFAEMO CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CC[N@H+]1CCOC ZINC000117526507 655265526 /nfs/dbraw/zinc/26/55/26/655265526.db2.gz VMNDILPZJZEGMO-LBPRGKRZSA-N 1 1 388.295 2.501 10 0 GFAEMO CC(C)(C)n1nc(Br)c2c1ncnc2N1CC[N@H+]2CCC[C@H]2C1 ZINC000891762929 663349659 /nfs/dbraw/zinc/34/96/59/663349659.db2.gz LAKZCIPAZZQCDS-NSHDSACASA-N 1 1 379.306 2.628 10 0 GFAEMO COc1ccc2ccccc2c1CNC(=O)C[C@H]1C(=O)NCC[N@H+]1CC(C)(C)C ZINC000012203302 204382530 /nfs/dbraw/zinc/38/25/30/204382530.db2.gz CTRSTZLAXPPBJV-IBGZPJMESA-N 1 1 397.519 2.701 10 0 GFAEMO COc1ccc2ccccc2c1CNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(C)(C)C ZINC000012203302 204382532 /nfs/dbraw/zinc/38/25/32/204382532.db2.gz CTRSTZLAXPPBJV-IBGZPJMESA-N 1 1 397.519 2.701 10 0 GFAEMO C[NH+]1CCN(c2ncc(NC(=O)C(c3ccccc3)c3ccccc3)cn2)CC1 ZINC000224254802 536426537 /nfs/dbraw/zinc/42/65/37/536426537.db2.gz GUHQANLHOBMPLW-UHFFFAOYSA-N 1 1 387.487 2.999 10 0 GFAEMO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000041536105 551135978 /nfs/dbraw/zinc/13/59/78/551135978.db2.gz INIXMQZDAXAQGM-QWHCGFSZSA-N 1 1 375.296 2.845 10 0 GFAEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)C[C@H]3CSCCS3)CC2)cn1 ZINC000126718205 551332093 /nfs/dbraw/zinc/33/20/93/551332093.db2.gz DELNRSQJWDPALR-KRWDZBQOSA-N 1 1 382.599 2.566 10 0 GFAEMO CCCn1cc(C[N@H+]2CCCN(C(=O)C[C@H]3CSCCS3)CC2)cn1 ZINC000126718205 551332095 /nfs/dbraw/zinc/33/20/95/551332095.db2.gz DELNRSQJWDPALR-KRWDZBQOSA-N 1 1 382.599 2.566 10 0 GFAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Br)c(Cl)c2)C[C@@H]1C ZINC000157124225 551533603 /nfs/dbraw/zinc/53/36/03/551533603.db2.gz LPGZWSGIBQRPJD-WDEREUQCSA-N 1 1 375.694 2.630 10 0 GFAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(Br)c(Cl)c2)C[C@@H]1C ZINC000157124225 551533605 /nfs/dbraw/zinc/53/36/05/551533605.db2.gz LPGZWSGIBQRPJD-WDEREUQCSA-N 1 1 375.694 2.630 10 0 GFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(F)c(I)c1 ZINC000159122663 551561535 /nfs/dbraw/zinc/56/15/35/551561535.db2.gz WSLZMBBOHFMWEM-LBPRGKRZSA-N 1 1 390.240 2.987 10 0 GFAEMO CC[C@@H]1CN(C(=O)NCc2ccc(Br)s2)CC[N@H+]1CCOC ZINC000172326755 551676620 /nfs/dbraw/zinc/67/66/20/551676620.db2.gz SSHZAAIEPUECJH-GFCCVEGCSA-N 1 1 390.347 2.763 10 0 GFAEMO OC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)COc1cccc(Br)c1 ZINC000177826632 552159469 /nfs/dbraw/zinc/15/94/69/552159469.db2.gz LCVZNWWMOZWEPN-QFBILLFUSA-N 1 1 392.293 2.781 10 0 GFAEMO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)COc3cccc(Br)c3)CC[C@@H]21 ZINC000178422695 552170169 /nfs/dbraw/zinc/17/01/69/552170169.db2.gz REZAPSXVJFPVCJ-HFTRVMKXSA-N 1 1 383.330 2.605 10 0 GFAEMO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)COc3cccc(Br)c3)CC[C@@H]21 ZINC000178422695 552170172 /nfs/dbraw/zinc/17/01/72/552170172.db2.gz REZAPSXVJFPVCJ-HFTRVMKXSA-N 1 1 383.330 2.605 10 0 GFAEMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(Br)c3cccnc23)C[C@@H]1C ZINC000180099082 552213532 /nfs/dbraw/zinc/21/35/32/552213532.db2.gz INVIZNANRLBZOC-UONOGXRCSA-N 1 1 378.314 2.884 10 0 GFAEMO CC[C@@H]1CN(C(=O)NCc2ccc(Br)cc2C)CC[N@H+]1C[C@@H](C)O ZINC000181740955 552267098 /nfs/dbraw/zinc/26/70/98/552267098.db2.gz JMTRKQSYLNIQTM-RHSMWYFYSA-N 1 1 398.345 2.744 10 0 GFAEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(N)nc(Cl)c2)C1 ZINC000190537944 552500475 /nfs/dbraw/zinc/50/04/75/552500475.db2.gz PFFLDPDYEQSOEY-GFCCVEGCSA-N 1 1 379.917 2.676 10 0 GFAEMO Cc1cnc(CNC(=O)N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)s1 ZINC000190720115 552506868 /nfs/dbraw/zinc/50/68/68/552506868.db2.gz DOHQPESXHHSWSQ-AWEZNQCLSA-N 1 1 379.555 2.880 10 0 GFAEMO COc1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc(OC)c1Br ZINC000195082552 553037482 /nfs/dbraw/zinc/03/74/82/553037482.db2.gz IKZOEJPOKODHNW-ZDUSSCGKSA-N 1 1 383.286 2.777 10 0 GFAEMO COc1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc(OC)c1Br ZINC000195082552 553037486 /nfs/dbraw/zinc/03/74/86/553037486.db2.gz IKZOEJPOKODHNW-ZDUSSCGKSA-N 1 1 383.286 2.777 10 0 GFAEMO Cc1csc([C@H]2CCC[N@H+](C[C@H](O)c3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000195322325 553044776 /nfs/dbraw/zinc/04/47/76/553044776.db2.gz VFZPQRXXGHMQOM-RDJZCZTQSA-N 1 1 380.535 2.768 10 0 GFAEMO 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GFAEMO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@H](C)c1ccccc1Br ZINC000155016315 551488676 /nfs/dbraw/zinc/48/86/76/551488676.db2.gz PFDCEDZPHDGQAR-IUODEOHRSA-N 1 1 385.302 2.804 10 0 GFAEMO CC(C)[C@H](O)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000162754461 551612461 /nfs/dbraw/zinc/61/24/61/551612461.db2.gz JPADSLHWKDHFQJ-QGZVFWFLSA-N 1 1 383.330 2.937 10 0 GFAEMO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCn2ncnc21 ZINC000164641832 551626542 /nfs/dbraw/zinc/62/65/42/551626542.db2.gz IEPLBTOCSJCVON-FZMZJTMJSA-N 1 1 378.274 2.882 10 0 GFAEMO CCOCC[N@@H+]1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@@H]1C ZINC000172219265 551673565 /nfs/dbraw/zinc/67/35/65/551673565.db2.gz MKZAEJXFYLBCNI-LBPRGKRZSA-N 1 1 395.301 2.508 10 0 GFAEMO CCOCC[N@H+]1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@@H]1C ZINC000172219265 551673566 /nfs/dbraw/zinc/67/35/66/551673566.db2.gz MKZAEJXFYLBCNI-LBPRGKRZSA-N 1 1 395.301 2.508 10 0 GFAEMO Brc1ccc(-n2cc(C[N@H+]3CC[C@@H](N4CCOCC4)C3)cn2)cc1 ZINC000179845836 552204864 /nfs/dbraw/zinc/20/48/64/552204864.db2.gz IZRXVUWSRILFAA-GOSISDBHSA-N 1 1 391.313 2.541 10 0 GFAEMO CC[C@@H](O)CN1CC[NH+](CCCc2ccc(Br)cc2OC)CC1 ZINC000181922836 552271181 /nfs/dbraw/zinc/27/11/81/552271181.db2.gz QHDUBACGASZIJQ-QGZVFWFLSA-N 1 1 385.346 2.779 10 0 GFAEMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H](C)c1ccccc1Br ZINC000185460055 552363985 /nfs/dbraw/zinc/36/39/85/552363985.db2.gz HZQHUCAVQJQGDR-HUUCEWRRSA-N 1 1 397.361 2.835 10 0 GFAEMO Cn1cc([C@H]2CSCC[N@@H+]2C[C@H](O)COCc2ccc(Cl)cc2)cn1 ZINC000191203466 552521709 /nfs/dbraw/zinc/52/17/09/552521709.db2.gz HJECLYJBYQSUSE-ZWKOTPCHSA-N 1 1 381.929 2.741 10 0 GFAEMO Cn1cc([C@H]2CSCC[N@H+]2C[C@H](O)COCc2ccc(Cl)cc2)cn1 ZINC000191203466 552521712 /nfs/dbraw/zinc/52/17/12/552521712.db2.gz HJECLYJBYQSUSE-ZWKOTPCHSA-N 1 1 381.929 2.741 10 0 GFAEMO Cc1csc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1I ZINC000191265043 552523112 /nfs/dbraw/zinc/52/31/12/552523112.db2.gz GUBFSGRCQIHGPS-JTQLQIEISA-N 1 1 376.263 2.581 10 0 GFAEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2cccs2)CC1 ZINC000192232638 552557380 /nfs/dbraw/zinc/55/73/80/552557380.db2.gz CUBSEZBABRDNJQ-AWEZNQCLSA-N 1 1 388.555 2.565 10 0 GFAEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2cccs2)CC1 ZINC000192232638 552557381 /nfs/dbraw/zinc/55/73/81/552557381.db2.gz CUBSEZBABRDNJQ-AWEZNQCLSA-N 1 1 388.555 2.565 10 0 GFAEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ncccc2Br)C1 ZINC000194047553 553010625 /nfs/dbraw/zinc/01/06/25/553010625.db2.gz YADVVGYHHUQNJI-HNNXBMFYSA-N 1 1 389.297 2.833 10 0 GFAEMO C[C@H](O)C[N@H+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)C[C@H]1C ZINC000245726235 553096405 /nfs/dbraw/zinc/09/64/05/553096405.db2.gz IUINWRDBKVGEMD-KGLIPLIRSA-N 1 1 393.329 2.726 10 0 GFAEMO Cc1ccc(I)cc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246066026 553101693 /nfs/dbraw/zinc/10/16/93/553101693.db2.gz RQEWVLQNOAKNOL-OCCSQVGLSA-N 1 1 384.261 2.908 10 0 GFAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1sccc1Br ZINC000246100531 553102427 /nfs/dbraw/zinc/10/24/27/553102427.db2.gz HKKDNBIXVMATKC-QWRGUYRKSA-N 1 1 379.345 2.758 10 0 GFAEMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000246353209 553106313 /nfs/dbraw/zinc/10/63/13/553106313.db2.gz WJUIFXWJEHFKEH-PBHICJAKSA-N 1 1 394.313 2.932 10 0 GFAEMO C[C@@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000246575339 553110165 /nfs/dbraw/zinc/11/01/65/553110165.db2.gz YFMKWLGJQMPQCM-OAUYIBNBSA-N 1 1 387.307 2.596 10 0 GFAEMO CCOCCN1CC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000246860380 553114234 /nfs/dbraw/zinc/11/42/34/553114234.db2.gz ILUQHNYWWIMMSW-OAHLLOKOSA-N 1 1 398.345 2.820 10 0 GFAEMO CCOCC[N@@H+]1CCN(CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000246860380 553114236 /nfs/dbraw/zinc/11/42/36/553114236.db2.gz ILUQHNYWWIMMSW-OAHLLOKOSA-N 1 1 398.345 2.820 10 0 GFAEMO CCOCC[N@H+]1CCN(CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000246860380 553114238 /nfs/dbraw/zinc/11/42/38/553114238.db2.gz ILUQHNYWWIMMSW-OAHLLOKOSA-N 1 1 398.345 2.820 10 0 GFAEMO C[C@H](O)C[N@H+]1CCN(C(=O)CCCc2ccccc2Br)C[C@@H]1C ZINC000246869952 553114425 /nfs/dbraw/zinc/11/44/25/553114425.db2.gz CNDCHIVEBLTYPP-GJZGRUSLSA-N 1 1 383.330 2.685 10 0 GFAEMO CC[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@H+]1CCOC ZINC000247810412 553125664 /nfs/dbraw/zinc/12/56/64/553125664.db2.gz USKOCIHUNPTCSU-HZPDHXFCSA-N 1 1 391.339 2.776 10 0 GFAEMO CC[C@@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CCN1CCOC ZINC000247810412 553125665 /nfs/dbraw/zinc/12/56/65/553125665.db2.gz USKOCIHUNPTCSU-HZPDHXFCSA-N 1 1 391.339 2.776 10 0 GFAEMO CC[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CCN1CCOC ZINC000247810412 553125667 /nfs/dbraw/zinc/12/56/67/553125667.db2.gz USKOCIHUNPTCSU-HZPDHXFCSA-N 1 1 391.339 2.776 10 0 GFAEMO CC[C@@H]1CN(C(=O)N[C@H](C)c2ccccc2Br)CC[N@H+]1C[C@H](C)O ZINC000248447803 553129800 /nfs/dbraw/zinc/12/98/00/553129800.db2.gz GYUZSGRJTIAHLZ-RRFJBIMHSA-N 1 1 398.345 2.997 10 0 GFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000249219562 553140828 /nfs/dbraw/zinc/14/08/28/553140828.db2.gz UGHXYWHGBIZNNS-OLZOCXBDSA-N 1 1 398.276 2.612 10 0 GFAEMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000380153304 563514308 /nfs/dbraw/zinc/51/43/08/563514308.db2.gz XQWHJJRZQJSKGB-JTQLQIEISA-N 1 1 381.723 2.865 10 0 GFAEMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000380153304 563514311 /nfs/dbraw/zinc/51/43/11/563514311.db2.gz XQWHJJRZQJSKGB-JTQLQIEISA-N 1 1 381.723 2.865 10 0 GFAEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2I)C1 ZINC000533544122 564965851 /nfs/dbraw/zinc/96/58/51/564965851.db2.gz ZPGLQRGKJYAAQF-SNVBAGLBSA-N 1 1 376.213 2.644 10 0 GFAEMO CCN1CC[NH+](CCCNc2ncnc3onc(-c4ccc(F)cc4)c32)CC1 ZINC000020574448 570268846 /nfs/dbraw/zinc/26/88/46/570268846.db2.gz YSEAHUWBBVEICX-UHFFFAOYSA-N 1 1 384.459 2.863 10 0 GFAEMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000122200736 654731468 /nfs/dbraw/zinc/73/14/68/654731468.db2.gz LCRHNJGPQMRTLA-NSHDSACASA-N 1 1 377.794 2.898 10 0 GFAEMO CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000132220665 654929584 /nfs/dbraw/zinc/92/95/84/654929584.db2.gz OSSVLNCDIGIEPB-OAHLLOKOSA-N 1 1 381.885 2.901 10 0 GFAEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(I)cc1 ZINC000096658518 655031930 /nfs/dbraw/zinc/03/19/30/655031930.db2.gz POGPQPYSNACPLU-IUODEOHRSA-N 1 1 384.261 2.990 10 0 GFAEMO CCOCC[N@H+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000106110540 655103173 /nfs/dbraw/zinc/10/31/73/655103173.db2.gz YWIHQRLZJNPTJJ-HOCLYGCPSA-N 1 1 391.339 2.776 10 0 GFAEMO CCOCCN1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000106110540 655103177 /nfs/dbraw/zinc/10/31/77/655103177.db2.gz YWIHQRLZJNPTJJ-HOCLYGCPSA-N 1 1 391.339 2.776 10 0 GFAEMO CCOCCN1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000106110540 655103181 /nfs/dbraw/zinc/10/31/81/655103181.db2.gz YWIHQRLZJNPTJJ-HOCLYGCPSA-N 1 1 391.339 2.776 10 0 GFAEMO Brc1cc2c(cc1C[N@H+]1CCC[C@H](Cn3cncn3)C1)OCCO2 ZINC000106175848 655104320 /nfs/dbraw/zinc/10/43/20/655104320.db2.gz XRAOHHQSCGMQJR-ZDUSSCGKSA-N 1 1 393.285 2.724 10 0 GFAEMO O[C@@H](COc1c(Cl)cccc1Cl)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106174077 655104427 /nfs/dbraw/zinc/10/44/27/655104427.db2.gz OMPKHVVIKPECDP-UONOGXRCSA-N 1 1 385.295 2.737 10 0 GFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000176510508 655248568 /nfs/dbraw/zinc/24/85/68/655248568.db2.gz MKUWSSWZUXJWRP-VXGBXAGGSA-N 1 1 390.281 2.599 10 0 GFAEMO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1Br ZINC000119057862 655288431 /nfs/dbraw/zinc/28/84/31/655288431.db2.gz MXWJNAWKUVGVBW-UHFFFAOYSA-N 1 1 391.313 2.839 10 0 GFAEMO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1Br ZINC000119057862 655288434 /nfs/dbraw/zinc/28/84/34/655288434.db2.gz MXWJNAWKUVGVBW-UHFFFAOYSA-N 1 1 391.313 2.839 10 0 GFAEMO COCC[N@@H+]1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000180014024 655320973 /nfs/dbraw/zinc/32/09/73/655320973.db2.gz FSJIAQUMTIQGGG-WBMJQRKESA-N 1 1 375.296 2.596 10 0 GFAEMO COCC[N@H+]1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000180014024 655320976 /nfs/dbraw/zinc/32/09/76/655320976.db2.gz FSJIAQUMTIQGGG-WBMJQRKESA-N 1 1 375.296 2.596 10 0 GFAEMO C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc(Br)cc(F)c1[O-] ZINC000185115300 655362580 /nfs/dbraw/zinc/36/25/80/655362580.db2.gz OELCVNBYKVVRIX-DGCLKSJQSA-N 1 1 375.282 2.791 10 0 GFAEMO CC[C@@H]1CN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC[N@H+]1C[C@H](C)O ZINC000246487946 655430160 /nfs/dbraw/zinc/43/01/60/655430160.db2.gz RQIUUXITPRUMJJ-JCURWCKSSA-N 1 1 389.323 2.721 10 0 GFAEMO CCn1c(=S)n(CN2CC[N@@H+](CCOC)[C@@H](C)C2)nc1-c1cccs1 ZINC000246989731 655430903 /nfs/dbraw/zinc/43/09/03/655430903.db2.gz GCTVDGVJPOJATM-AWEZNQCLSA-N 1 1 381.571 2.772 10 0 GFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C\c2ccc(I)o2)C1 ZINC000263635690 655452726 /nfs/dbraw/zinc/45/27/26/655452726.db2.gz AXSBJLAGNKEWJP-QGSKFPASSA-N 1 1 388.249 2.742 10 0 GFAEMO CNC(=O)CN(C)c1nc(C[NH+]2CCC(C)CC2)nc2sc(C)c(C)c21 ZINC000008936627 204294648 /nfs/dbraw/zinc/29/46/48/204294648.db2.gz LKRJNWGGTGECLN-UHFFFAOYSA-N 1 1 375.542 2.722 10 0 GFAEMO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(C)nn2CC)Cc2cc(OC)ccc2O1 ZINC000011976859 204366413 /nfs/dbraw/zinc/36/64/13/204366413.db2.gz WSCOYEHQNNBVJX-QGZVFWFLSA-N 1 1 386.496 2.623 10 0 GFAEMO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(C)nn2CC)Cc2cc(OC)ccc2O1 ZINC000011976859 204366416 /nfs/dbraw/zinc/36/64/16/204366416.db2.gz WSCOYEHQNNBVJX-QGZVFWFLSA-N 1 1 386.496 2.623 10 0 GFAEMO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@H+]1CCCn1cccn1 ZINC000012004570 204366924 /nfs/dbraw/zinc/36/69/24/204366924.db2.gz RNGKXSPFNXQZPA-FQEVSTJZSA-N 1 1 378.480 2.952 10 0 GFAEMO O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3ccc4c(c3)OCCO4)[N@H+]3CCC[C@@]123 ZINC000012317963 204396397 /nfs/dbraw/zinc/39/63/97/204396397.db2.gz PDZLBARZXUNNLR-YDHSSHFGSA-N 1 1 391.471 2.791 10 0 GFAEMO COCC[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)COc1ccc(OC)cc1 ZINC000036099684 205006040 /nfs/dbraw/zinc/00/60/40/205006040.db2.gz SBBKJYBGVAMWLA-KRWDZBQOSA-N 1 1 381.419 2.862 10 0 GFAEMO COCC[N@H+](Cc1ccc(F)cc1F)C[C@H](O)COc1ccc(OC)cc1 ZINC000036099684 205006044 /nfs/dbraw/zinc/00/60/44/205006044.db2.gz SBBKJYBGVAMWLA-KRWDZBQOSA-N 1 1 381.419 2.862 10 0 GFAEMO CCC[C@@H](O)C[N@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156765 205007466 /nfs/dbraw/zinc/00/74/66/205007466.db2.gz PFTPTHKGDDLVTM-CQSZACIVSA-N 1 1 393.553 2.863 10 0 GFAEMO CCC[C@@H](O)C[N@@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156765 205007470 /nfs/dbraw/zinc/00/74/70/205007470.db2.gz PFTPTHKGDDLVTM-CQSZACIVSA-N 1 1 393.553 2.863 10 0 GFAEMO COc1cccc(C[N@@H+]2CCc3c(cc(C(=O)NCc4cccnc4)n3C)C2)c1 ZINC000065210962 205220096 /nfs/dbraw/zinc/22/00/96/205220096.db2.gz XOMVCFGJURYTFD-UHFFFAOYSA-N 1 1 390.487 2.917 10 0 GFAEMO COc1cccc(C[N@H+]2CCc3c(cc(C(=O)NCc4cccnc4)n3C)C2)c1 ZINC000065210962 205220101 /nfs/dbraw/zinc/22/01/01/205220101.db2.gz XOMVCFGJURYTFD-UHFFFAOYSA-N 1 1 390.487 2.917 10 0 GFAEMO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3ccnc4ccccc43)CC2)C1 ZINC000071405752 205283774 /nfs/dbraw/zinc/28/37/74/205283774.db2.gz PGUQPGOFPGPSHS-SFHVURJKSA-N 1 1 396.535 2.678 10 0 GFAEMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3ccnc4ccccc43)CC2)C1 ZINC000071405752 205283777 /nfs/dbraw/zinc/28/37/77/205283777.db2.gz PGUQPGOFPGPSHS-SFHVURJKSA-N 1 1 396.535 2.678 10 0 GFAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 ZINC000095080371 205437464 /nfs/dbraw/zinc/43/74/64/205437464.db2.gz RVEJWGYZBXCGGM-BEFAXECRSA-N 1 1 393.491 2.707 10 0 GFAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000113271247 551207741 /nfs/dbraw/zinc/20/77/41/551207741.db2.gz VNQXRLYHGGDBRW-GXTWGEPZSA-N 1 1 377.337 2.936 10 0 GFAEMO CCC[C@H](C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)[NH+](C)C ZINC000131108860 551372406 /nfs/dbraw/zinc/37/24/06/551372406.db2.gz QPIPQGSOOUGRGJ-CYBMUJFWSA-N 1 1 380.290 2.581 10 0 GFAEMO Cc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000150796082 551401749 /nfs/dbraw/zinc/40/17/49/551401749.db2.gz PQENXKCWGIZYIR-SWLSCSKDSA-N 1 1 382.302 2.541 10 0 GFAEMO Cc1ccc(I)cc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000151012257 551405586 /nfs/dbraw/zinc/40/55/86/551405586.db2.gz CSHSIKXRGJGEGO-CQSZACIVSA-N 1 1 384.261 2.910 10 0 GFAEMO Cc1ccc(I)cc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000151012257 551405588 /nfs/dbraw/zinc/40/55/88/551405588.db2.gz CSHSIKXRGJGEGO-CQSZACIVSA-N 1 1 384.261 2.910 10 0 GFAEMO Cc1ccc(I)cc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000151012309 551405843 /nfs/dbraw/zinc/40/58/43/551405843.db2.gz CSHSIKXRGJGEGO-AWEZNQCLSA-N 1 1 384.261 2.910 10 0 GFAEMO Cc1ccc(I)cc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000151012309 551405845 /nfs/dbraw/zinc/40/58/45/551405845.db2.gz CSHSIKXRGJGEGO-AWEZNQCLSA-N 1 1 384.261 2.910 10 0 GFAEMO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000151328143 551411457 /nfs/dbraw/zinc/41/14/57/551411457.db2.gz SAZVQEFIENJASC-RHSMWYFYSA-N 1 1 398.345 2.603 10 0 GFAEMO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000151328143 551411458 /nfs/dbraw/zinc/41/14/58/551411458.db2.gz SAZVQEFIENJASC-RHSMWYFYSA-N 1 1 398.345 2.603 10 0 GFAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(F)c(I)c1 ZINC000154812568 551483129 /nfs/dbraw/zinc/48/31/29/551483129.db2.gz KPOGUQBJKIBHOD-CMPLNLGQSA-N 1 1 388.224 2.739 10 0 GFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000156016815 551512563 /nfs/dbraw/zinc/51/25/63/551512563.db2.gz LZPRFYSBAUIPEU-GFCCVEGCSA-N 1 1 379.873 2.575 10 0 GFAEMO Brc1cc(C[N@@H+]2CCCN(c3cccnn3)CC2)cc2c1OCO2 ZINC000170938451 551643669 /nfs/dbraw/zinc/64/36/69/551643669.db2.gz OIJFRNZSIIAOMR-UHFFFAOYSA-N 1 1 391.269 2.680 10 0 GFAEMO Brc1cc(C[N@H+]2CCCN(c3cccnn3)CC2)cc2c1OCO2 ZINC000170938451 551643672 /nfs/dbraw/zinc/64/36/72/551643672.db2.gz OIJFRNZSIIAOMR-UHFFFAOYSA-N 1 1 391.269 2.680 10 0 GFAEMO O[C@H](C[NH+]1CCN(Cc2cncc(Br)c2)CC1)c1ccccc1 ZINC000170935680 551643703 /nfs/dbraw/zinc/64/37/03/551643703.db2.gz KOFGVXGGSOPRHX-GOSISDBHSA-N 1 1 376.298 2.695 10 0 GFAEMO Cc1cc(I)ccc1NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171885796 551666221 /nfs/dbraw/zinc/66/62/21/551666221.db2.gz ZNPLZLUPBSAFRR-CYBMUJFWSA-N 1 1 385.249 2.912 10 0 GFAEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000172349347 551677167 /nfs/dbraw/zinc/67/71/67/551677167.db2.gz ZTONEFBZZUOGTA-GFCCVEGCSA-N 1 1 378.270 2.505 10 0 GFAEMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000174536804 552106328 /nfs/dbraw/zinc/10/63/28/552106328.db2.gz BOFNPLUAQZUSNL-GFCCVEGCSA-N 1 1 391.331 2.563 10 0 GFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(S(=O)(=O)CC)ccc1Cl ZINC000175022224 552114109 /nfs/dbraw/zinc/11/41/09/552114109.db2.gz CIMPAWKOKLCMCQ-UONOGXRCSA-N 1 1 384.929 2.832 10 0 GFAEMO COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000181573909 552261387 /nfs/dbraw/zinc/26/13/87/552261387.db2.gz LRJPNBGALAPCGK-NSHDSACASA-N 1 1 382.869 2.625 10 0 GFAEMO COc1cc(Br)ccc1CCC[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000181850966 552269233 /nfs/dbraw/zinc/26/92/33/552269233.db2.gz AKGKPEXKOMHGLN-KRWDZBQOSA-N 1 1 394.313 2.988 10 0 GFAEMO C[C@@H]1CN(C(=O)CCc2cc(F)ccc2Br)C[C@H]1[NH+]1CCOCC1 ZINC000182484223 552285464 /nfs/dbraw/zinc/28/54/64/552285464.db2.gz QJTJGXSUKCUVGO-CXAGYDPISA-N 1 1 399.304 2.700 10 0 GFAEMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000184310062 552332194 /nfs/dbraw/zinc/33/21/94/552332194.db2.gz BPFSUDFJASJJCN-ZIAGYGMSSA-N 1 1 388.339 2.903 10 0 GFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000184820820 552345356 /nfs/dbraw/zinc/34/53/56/552345356.db2.gz IYQZMLQKXQZVDV-XJKSGUPXSA-N 1 1 384.318 2.608 10 0 GFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000188115145 552435492 /nfs/dbraw/zinc/43/54/92/552435492.db2.gz LAUMFHHQBHOGGJ-AWEZNQCLSA-N 1 1 396.329 2.947 10 0 GFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000190334986 552492815 /nfs/dbraw/zinc/49/28/15/552492815.db2.gz WMEMQFYCKLHPIQ-QWHCGFSZSA-N 1 1 398.276 2.612 10 0 GFAEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc(Br)n2)C1 ZINC000190634996 552504437 /nfs/dbraw/zinc/50/44/37/552504437.db2.gz YSNNJJLTAFSWNF-HNNXBMFYSA-N 1 1 389.297 2.833 10 0 GFAEMO O=C(c1nc(Br)ccc1Br)N1CC[N@H+]2CCC[C@H]2C1 ZINC000191351967 552525711 /nfs/dbraw/zinc/52/57/11/552525711.db2.gz BCGDJJISMKRVFO-VIFPVBQESA-N 1 1 389.091 2.527 10 0 GFAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1ccccc1I ZINC000246168650 553104045 /nfs/dbraw/zinc/10/40/45/553104045.db2.gz DPFSOIQYZYEAES-JSGCOSHPSA-N 1 1 384.261 2.529 10 0 GFAEMO Cc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246580072 553109823 /nfs/dbraw/zinc/10/98/23/553109823.db2.gz YCVVYEWPWIRYQG-IUODEOHRSA-N 1 1 382.302 2.541 10 0 GFAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N(C)Cc1ccccc1Br ZINC000247086203 553118853 /nfs/dbraw/zinc/11/88/53/553118853.db2.gz IAQYIXLQULVJCR-HOCLYGCPSA-N 1 1 380.330 2.576 10 0 GFAEMO CC[C@H]1CN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC[N@H+]1CCOC ZINC000247874729 553125777 /nfs/dbraw/zinc/12/57/77/553125777.db2.gz YIUDFKOSJFALMH-PBHICJAKSA-N 1 1 398.345 2.819 10 0 GFAEMO CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000247880479 553126729 /nfs/dbraw/zinc/12/67/29/553126729.db2.gz ZHANUJVJODYNNE-LSDHHAIUSA-N 1 1 398.345 2.819 10 0 GFAEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000247880479 553126731 /nfs/dbraw/zinc/12/67/31/553126731.db2.gz ZHANUJVJODYNNE-LSDHHAIUSA-N 1 1 398.345 2.819 10 0 GFAEMO COc1cc(Br)ccc1CCCN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248457983 553129842 /nfs/dbraw/zinc/12/98/42/553129842.db2.gz MPLSSFOAJPFHOI-GJZGRUSLSA-N 1 1 385.346 2.777 10 0 GFAEMO COc1cc(Br)ccc1CCC[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248457983 553129845 /nfs/dbraw/zinc/12/98/45/553129845.db2.gz MPLSSFOAJPFHOI-GJZGRUSLSA-N 1 1 385.346 2.777 10 0 GFAEMO COc1cc(Br)ccc1CCC[N@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248457983 553129846 /nfs/dbraw/zinc/12/98/46/553129846.db2.gz MPLSSFOAJPFHOI-GJZGRUSLSA-N 1 1 385.346 2.777 10 0 GFAEMO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000248915446 553137337 /nfs/dbraw/zinc/13/73/37/553137337.db2.gz ZPOMKPUVYANLBR-QWRGUYRKSA-N 1 1 386.279 2.636 10 0 GFAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000249219564 553140954 /nfs/dbraw/zinc/14/09/54/553140954.db2.gz UGHXYWHGBIZNNS-STQMWFEESA-N 1 1 398.276 2.612 10 0 GFAEMO CC[N@@H+]1CCO[C@@H](CNCc2cc(Cl)ccc2I)C1 ZINC000405792297 563539819 /nfs/dbraw/zinc/53/98/19/563539819.db2.gz PDLIDRDRACZBAO-ZDUSSCGKSA-N 1 1 394.684 2.755 10 0 GFAEMO CC[N@H+]1CCO[C@@H](CNCc2cc(Cl)ccc2I)C1 ZINC000405792297 563539820 /nfs/dbraw/zinc/53/98/20/563539820.db2.gz PDLIDRDRACZBAO-ZDUSSCGKSA-N 1 1 394.684 2.755 10 0 GFAEMO Cc1cc2ccccc2n1CCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000023339015 570321718 /nfs/dbraw/zinc/32/17/18/570321718.db2.gz USQDVLLLBCYSDE-HXUWFJFHSA-N 1 1 382.552 2.872 10 0 GFAEMO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000095505154 571078131 /nfs/dbraw/zinc/07/81/31/571078131.db2.gz BWPDPLSEPTXBDN-UHFFFAOYSA-N 1 1 388.899 2.586 10 0 GFAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cn1ccc(=O)c2cccc(Br)c21 ZINC000153218590 655065585 /nfs/dbraw/zinc/06/55/85/655065585.db2.gz BOTNMHISWRRLAK-UONOGXRCSA-N 1 1 376.298 2.890 10 0 GFAEMO C[C@H]1CN2CCC[C@@H]2C[N@@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000153218590 655065590 /nfs/dbraw/zinc/06/55/90/655065590.db2.gz BOTNMHISWRRLAK-UONOGXRCSA-N 1 1 376.298 2.890 10 0 GFAEMO C[C@H]1CN2CCC[C@@H]2C[N@H+]1Cn1ccc(=O)c2cccc(Br)c21 ZINC000153218590 655065593 /nfs/dbraw/zinc/06/55/93/655065593.db2.gz BOTNMHISWRRLAK-UONOGXRCSA-N 1 1 376.298 2.890 10 0 GFAEMO COCC[N@@H+]1CCN(Cc2nnc(-c3ccccc3Br)o2)C[C@H]1C ZINC000106109265 655103055 /nfs/dbraw/zinc/10/30/55/655103055.db2.gz FPISEEYKWZPTAQ-CYBMUJFWSA-N 1 1 395.301 2.652 10 0 GFAEMO COCC[N@H+]1CCN(Cc2nnc(-c3ccccc3Br)o2)C[C@H]1C ZINC000106109265 655103058 /nfs/dbraw/zinc/10/30/58/655103058.db2.gz FPISEEYKWZPTAQ-CYBMUJFWSA-N 1 1 395.301 2.652 10 0 GFAEMO CC[C@@H]1CN(C[C@H](O)COc2c(Cl)cccc2Cl)CC[N@H+]1CCOC ZINC000106114794 655103553 /nfs/dbraw/zinc/10/35/53/655103553.db2.gz SGXHCLZBFRPOGV-CABCVRRESA-N 1 1 391.339 2.776 10 0 GFAEMO CC[C@@H]1C[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CCN1CCOC ZINC000106114794 655103554 /nfs/dbraw/zinc/10/35/54/655103554.db2.gz SGXHCLZBFRPOGV-CABCVRRESA-N 1 1 391.339 2.776 10 0 GFAEMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CCN1CCOC ZINC000106114794 655103555 /nfs/dbraw/zinc/10/35/55/655103555.db2.gz SGXHCLZBFRPOGV-CABCVRRESA-N 1 1 391.339 2.776 10 0 GFAEMO C[C@H](NC(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000173906074 655184714 /nfs/dbraw/zinc/18/47/14/655184714.db2.gz BRVHDDVGSXRWMP-ZFWWWQNUSA-N 1 1 386.323 2.577 10 0 GFAEMO C[C@H](NC(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000173906074 655184715 /nfs/dbraw/zinc/18/47/15/655184715.db2.gz BRVHDDVGSXRWMP-ZFWWWQNUSA-N 1 1 386.323 2.577 10 0 GFAEMO CC[C@@H]1CN(C(=O)CCc2cccc(Br)c2)CC[N@H+]1C[C@@H](C)O ZINC000174604995 655204976 /nfs/dbraw/zinc/20/49/76/655204976.db2.gz ZATOLMFBABBLRF-RHSMWYFYSA-N 1 1 383.330 2.685 10 0 GFAEMO Cc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1I ZINC000113227425 655205692 /nfs/dbraw/zinc/20/56/92/655205692.db2.gz RMOPHCQMFAAGFZ-STQMWFEESA-N 1 1 384.261 2.908 10 0 GFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1I ZINC000175042303 655213103 /nfs/dbraw/zinc/21/31/03/655213103.db2.gz UAKAVNBKVAHLHK-CHWSQXEVSA-N 1 1 384.261 2.990 10 0 GFAEMO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000119577512 655307668 /nfs/dbraw/zinc/30/76/68/655307668.db2.gz RWIKAXQFEQOYFR-LLVKDONJSA-N 1 1 380.482 2.595 10 0 GFAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000119577512 655307669 /nfs/dbraw/zinc/30/76/69/655307669.db2.gz RWIKAXQFEQOYFR-LLVKDONJSA-N 1 1 380.482 2.595 10 0 GFAEMO COCC[N@H+]1CCN(CC2=Cc3cc(Br)ccc3OC2)C[C@@H]1C ZINC000120835202 655345054 /nfs/dbraw/zinc/34/50/54/655345054.db2.gz NIVUZIMFEGPCLN-AWEZNQCLSA-N 1 1 381.314 2.877 10 0 GFAEMO CC[C@@H]1CN(C(=O)c2cccnc2SC(F)(F)F)CC[N@@H+]1C[C@H](C)O 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COCCCS(=O)(=O)NCC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000179542169 552196060 /nfs/dbraw/zinc/19/60/60/552196060.db2.gz WEZGFRCZTCXRCI-SNVBAGLBSA-N 1 1 387.304 2.739 10 0 GFAEMO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccccc2Br)CC[N@H+]1C[C@@H](C)O ZINC000184713281 552342719 /nfs/dbraw/zinc/34/27/19/552342719.db2.gz GYUZSGRJTIAHLZ-QLFBSQMISA-N 1 1 398.345 2.997 10 0 GFAEMO Brc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)nc2c1 ZINC000184971736 552349517 /nfs/dbraw/zinc/34/95/17/552349517.db2.gz OYGKBQSRNWFCAI-GFCCVEGCSA-N 1 1 375.274 2.829 10 0 GFAEMO Brc1ccc2[nH]c(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)nc2c1 ZINC000184971736 552349518 /nfs/dbraw/zinc/34/95/18/552349518.db2.gz OYGKBQSRNWFCAI-GFCCVEGCSA-N 1 1 375.274 2.829 10 0 GFAEMO CC(C)[N@@H+]1C[C@H](NC(=O)Cc2ccc(I)cc2)[C@@H](C)C1 ZINC000192055793 552548332 /nfs/dbraw/zinc/54/83/32/552548332.db2.gz JRGBEXAWBDDFRH-WFASDCNBSA-N 1 1 386.277 2.679 10 0 GFAEMO O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195368802 553046624 /nfs/dbraw/zinc/04/66/24/553046624.db2.gz KFNYYNKCDMUOQS-ZDUSSCGKSA-N 1 1 381.270 2.531 10 0 GFAEMO O=C(c1cc(Br)c2c(c1)OCCO2)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195368802 553046625 /nfs/dbraw/zinc/04/66/25/553046625.db2.gz KFNYYNKCDMUOQS-ZDUSSCGKSA-N 1 1 381.270 2.531 10 0 GFAEMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(I)c(Cl)c1 ZINC000226791892 553062070 /nfs/dbraw/zinc/06/20/70/553062070.db2.gz VVBOTHHQQXNMKX-SNVBAGLBSA-N 1 1 378.641 2.769 10 0 GFAEMO C[C@@H]1C[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@H]1N1CCOCC1 ZINC000245749917 553096109 /nfs/dbraw/zinc/09/61/09/553096109.db2.gz NPGMHAKEJLIYQA-RDTXWAMCSA-N 1 1 393.325 2.877 10 0 GFAEMO C[C@H]1C[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@H]1N1CCOCC1 ZINC000245749916 553096575 /nfs/dbraw/zinc/09/65/75/553096575.db2.gz NPGMHAKEJLIYQA-KBXCAEBGSA-N 1 1 393.325 2.877 10 0 GFAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1ncnc2ccc(I)cc21 ZINC000246157449 553103360 /nfs/dbraw/zinc/10/33/60/553103360.db2.gz HGQOFPQZSZOEMW-AAEUAGOBSA-N 1 1 394.260 2.907 10 0 GFAEMO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c(Br)c1 ZINC000246496095 553108435 /nfs/dbraw/zinc/10/84/35/553108435.db2.gz RSDYSEPJWOOPQT-IUODEOHRSA-N 1 1 382.302 2.541 10 0 GFAEMO O[C@@H](COc1cccc(Br)c1)C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246707149 553112203 /nfs/dbraw/zinc/11/22/03/553112203.db2.gz NOCDQQGXRGSHDX-CRAIPNDOSA-N 1 1 393.281 2.737 10 0 GFAEMO COc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1Cl ZINC000246813340 553113762 /nfs/dbraw/zinc/11/37/62/553113762.db2.gz CDYASUGFKSFHBC-QWRGUYRKSA-N 1 1 379.309 2.859 10 0 GFAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(I)c(F)c1 ZINC000247022278 553117182 /nfs/dbraw/zinc/11/71/82/553117182.db2.gz GDPXMFGTUHNAIZ-JQWIXIFHSA-N 1 1 388.224 2.739 10 0 GFAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1csc(I)c1 ZINC000247527703 553123499 /nfs/dbraw/zinc/12/34/99/553123499.db2.gz XGBKJIXWGNQWCU-KOLCDFICSA-N 1 1 376.263 2.661 10 0 GFAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(F)c1I ZINC000533543943 564965335 /nfs/dbraw/zinc/96/53/35/564965335.db2.gz YPFIFYWIJMDAFS-QWRGUYRKSA-N 1 1 388.224 2.739 10 0 GFAEMO Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC2)[nH]1 ZINC000033024359 570653143 /nfs/dbraw/zinc/65/31/43/570653143.db2.gz HTDVMIWYZXCGDB-SFHVURJKSA-N 1 1 388.556 2.864 10 0 GFAEMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cccnc2C)CC1 ZINC000012587227 570882231 /nfs/dbraw/zinc/88/22/31/570882231.db2.gz NSCUIBMMOMZNDD-IBGZPJMESA-N 1 1 386.540 2.623 10 0 GFAEMO C[C@H]1CN(C(=O)Nc2cc(F)ccc2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000136446649 655031675 /nfs/dbraw/zinc/03/16/75/655031675.db2.gz GRQLYMFOSSZBOW-NHYWBVRUSA-N 1 1 386.265 2.773 10 0 GFAEMO C[C@H](O)C[NH+]1CCC(CN(C)CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000106126374 655103834 /nfs/dbraw/zinc/10/38/34/655103834.db2.gz BLNICIXAMQUMRB-ZDUSSCGKSA-N 1 1 388.339 2.957 10 0 GFAEMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)ccc2Br)CC1 ZINC000106394647 655107830 /nfs/dbraw/zinc/10/78/30/655107830.db2.gz OREZBJQCXJHJBK-LBPRGKRZSA-N 1 1 375.694 2.631 10 0 GFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000106396629 655107815 /nfs/dbraw/zinc/10/78/15/655107815.db2.gz KOPZHPOOJTVWBV-QGZVFWFLSA-N 1 1 395.341 2.786 10 0 GFAEMO COCC[N@H+]1CCN(Cn2ccc(-c3ccc(Br)cc3)n2)C[C@H]1C ZINC000159966232 655118218 /nfs/dbraw/zinc/11/82/18/655118218.db2.gz CFRBWCXSCQVIMZ-OAHLLOKOSA-N 1 1 393.329 2.923 10 0 GFAEMO C[C@@H](NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1Br ZINC000173400322 655170091 /nfs/dbraw/zinc/17/00/91/655170091.db2.gz FAAONALWDYGSQE-LSDHHAIUSA-N 1 1 397.361 2.693 10 0 GFAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(Br)ccc2Cl)C[C@H]1C ZINC000174302621 655198047 /nfs/dbraw/zinc/19/80/47/655198047.db2.gz PAUGQNOYNFJVRC-GHMZBOCLSA-N 1 1 375.694 2.630 10 0 GFAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(Br)ccc2Cl)C[C@H]1C ZINC000174302621 655198050 /nfs/dbraw/zinc/19/80/50/655198050.db2.gz PAUGQNOYNFJVRC-GHMZBOCLSA-N 1 1 375.694 2.630 10 0 GFAEMO C[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000175613846 655223668 /nfs/dbraw/zinc/22/36/68/655223668.db2.gz NYELOGAHDQNQIB-GUYCJALGSA-N 1 1 386.323 2.898 10 0 GFAEMO C[C@H](NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000175622675 655224006 /nfs/dbraw/zinc/22/40/06/655224006.db2.gz MGEGAKOKFLIXJL-GRDNDAEWSA-N 1 1 396.329 2.872 10 0 GFAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2OC)C[C@H]1C ZINC000117280586 655262819 /nfs/dbraw/zinc/26/28/19/655262819.db2.gz MJTUVGHTLPWZJA-CYBMUJFWSA-N 1 1 385.302 2.641 10 0 GFAEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(Br)cc2OC)C[C@H]1C ZINC000117280586 655262822 /nfs/dbraw/zinc/26/28/22/655262822.db2.gz MJTUVGHTLPWZJA-CYBMUJFWSA-N 1 1 385.302 2.641 10 0 GFAEMO CCOCC[N@@H+]1CCN(C(=O)Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC000117282358 655262860 /nfs/dbraw/zinc/26/28/60/655262860.db2.gz FCTRPDSKQKASBM-CYBMUJFWSA-N 1 1 387.293 2.700 10 0 GFAEMO CCOCC[N@H+]1CCN(C(=O)Cc2ccc(F)c(Br)c2)C[C@H]1C ZINC000117282358 655262862 /nfs/dbraw/zinc/26/28/62/655262862.db2.gz FCTRPDSKQKASBM-CYBMUJFWSA-N 1 1 387.293 2.700 10 0 GFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(I)cc1 ZINC000177087370 655267911 /nfs/dbraw/zinc/26/79/11/655267911.db2.gz GWLUXYZYVUGOIY-BXUZGUMPSA-N 1 1 385.249 2.992 10 0 GFAEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(Br)nc2C)C[C@@H]1C ZINC000181301306 655334730 /nfs/dbraw/zinc/33/47/30/655334730.db2.gz LYHADGADJNCLPO-LBPRGKRZSA-N 1 1 385.306 2.727 10 0 GFAEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(Br)nc2C)C[C@@H]1C ZINC000181301306 655334732 /nfs/dbraw/zinc/33/47/32/655334732.db2.gz LYHADGADJNCLPO-LBPRGKRZSA-N 1 1 385.306 2.727 10 0 GFAEMO COCC[N@H+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)C[C@@H]1C ZINC000120826799 655344824 /nfs/dbraw/zinc/34/48/24/655344824.db2.gz LFFAUOMTAGOHAU-AWEZNQCLSA-N 1 1 393.329 2.992 10 0 GFAEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000194153701 655414389 /nfs/dbraw/zinc/41/43/89/655414389.db2.gz YLVGNYYBHLJLQR-LLVKDONJSA-N 1 1 375.416 2.838 10 0 GFAEMO CC[C@@H]1CN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC[N@H+]1C[C@H](C)O ZINC000248819703 655433334 /nfs/dbraw/zinc/43/33/34/655433334.db2.gz WJSVYQVRCHHIMD-GXTWGEPZSA-N 1 1 376.831 2.772 10 0 GFAEMO COc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)c1 ZINC000012755501 210001334 /nfs/dbraw/zinc/00/13/34/210001334.db2.gz IIAQNUHGGWWOBU-FQEVSTJZSA-N 1 1 392.463 2.664 10 0 GFAEMO COc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)c1 ZINC000012755501 210001341 /nfs/dbraw/zinc/00/13/41/210001341.db2.gz IIAQNUHGGWWOBU-FQEVSTJZSA-N 1 1 392.463 2.664 10 0 GFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Cc1cccc(I)c1 ZINC000121802102 551243070 /nfs/dbraw/zinc/24/30/70/551243070.db2.gz OWKOGIQZTDNPIP-HNNXBMFYSA-N 1 1 386.277 2.776 10 0 GFAEMO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000150778123 551401308 /nfs/dbraw/zinc/40/13/08/551401308.db2.gz GSASNDRREHPZHZ-ZFWWWQNUSA-N 1 1 396.329 2.849 10 0 GFAEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000151865814 551422536 /nfs/dbraw/zinc/42/25/36/551422536.db2.gz CCRCHORDFYOZJI-LLVKDONJSA-N 1 1 388.693 2.642 10 0 GFAEMO C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1Br)C[NH+]1CCOCC1 ZINC000155274522 551495996 /nfs/dbraw/zinc/49/59/96/551495996.db2.gz SPZWIDLRTXCQRI-KBPBESRZSA-N 1 1 384.318 2.778 10 0 GFAEMO C[C@H]1CN(C(=O)CCc2ccccc2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000173825212 552093116 /nfs/dbraw/zinc/09/31/16/552093116.db2.gz UIGAWJUOABDKJX-YOEHRIQHSA-N 1 1 381.314 2.561 10 0 GFAEMO C[C@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000173843202 552093862 /nfs/dbraw/zinc/09/38/62/552093862.db2.gz AILDLDYSXNLBFE-DZGCQCFKSA-N 1 1 377.535 2.593 10 0 GFAEMO C[C@@H]1CN(C(=O)CCc2cc(Br)cs2)C[C@H]1[NH+]1CCOCC1 ZINC000173846059 552094369 /nfs/dbraw/zinc/09/43/69/552094369.db2.gz CQQUCINKYVTPCV-IUODEOHRSA-N 1 1 387.343 2.622 10 0 GFAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@H]1C ZINC000174346452 552102811 /nfs/dbraw/zinc/10/28/11/552102811.db2.gz IPANUKZKXKJSMP-ZIAGYGMSSA-N 1 1 383.330 2.640 10 0 GFAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@H]1C ZINC000174346452 552102813 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CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000175236137 655216000 /nfs/dbraw/zinc/21/60/00/655216000.db2.gz AMSIGHPKMPVHHY-JTQLQIEISA-N 1 1 395.308 2.543 10 0 GFAEMO COCC[N@@H+]1CCN(C(=O)CCc2cc(Br)cs2)C[C@@H]1C ZINC000117284005 655263170 /nfs/dbraw/zinc/26/31/70/655263170.db2.gz AXWMBZKNVOCMBX-LBPRGKRZSA-N 1 1 375.332 2.622 10 0 GFAEMO COCC[N@H+]1CCN(C(=O)CCc2cc(Br)cs2)C[C@@H]1C ZINC000117284005 655263172 /nfs/dbraw/zinc/26/31/72/655263172.db2.gz AXWMBZKNVOCMBX-LBPRGKRZSA-N 1 1 375.332 2.622 10 0 GFAEMO CC[C@@H]1CN(C(=O)c2cc(Br)cnc2Cl)CC[N@@H+]1CCOC ZINC000117303127 655263659 /nfs/dbraw/zinc/26/36/59/655263659.db2.gz CMWSFCNTHCMNJF-GFCCVEGCSA-N 1 1 390.709 2.680 10 0 GFAEMO CC[C@@H]1CN(C(=O)c2cc(Br)cnc2Cl)CC[N@H+]1CCOC ZINC000117303127 655263661 /nfs/dbraw/zinc/26/36/61/655263661.db2.gz CMWSFCNTHCMNJF-GFCCVEGCSA-N 1 1 390.709 2.680 10 0 GFAEMO COCC[N@@H+]1CCN(C(=O)CCc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC000117292823 655263724 /nfs/dbraw/zinc/26/37/24/655263724.db2.gz ULAVBDANSHWFAL-AWEZNQCLSA-N 1 1 399.329 2.569 10 0 GFAEMO COCC[N@H+]1CCN(C(=O)CCc2ccc(OC)c(Br)c2)C[C@@H]1C ZINC000117292823 655263725 /nfs/dbraw/zinc/26/37/25/655263725.db2.gz ULAVBDANSHWFAL-AWEZNQCLSA-N 1 1 399.329 2.569 10 0 GFAEMO C[C@@H]1CN(C(=O)Nc2ccc(F)cc2Br)C[C@H]1[NH+]1CCOCC1 ZINC000177760028 655287829 /nfs/dbraw/zinc/28/78/29/655287829.db2.gz UKWLHNPVHKCGHM-IAQYHMDHSA-N 1 1 386.265 2.773 10 0 GFAEMO COCC[N@H+]1CCN(CC2=Cc3cc(Br)ccc3OC2)C[C@H]1C ZINC000120835055 655344984 /nfs/dbraw/zinc/34/49/84/655344984.db2.gz NIVUZIMFEGPCLN-CQSZACIVSA-N 1 1 381.314 2.877 10 0 GFAEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccnc(Br)c2)C1 ZINC000190581848 655393318 /nfs/dbraw/zinc/39/33/18/655393318.db2.gz AWSKUFBXHCOCCZ-HNNXBMFYSA-N 1 1 389.297 2.833 10 0 GFAEMO CC[C@H]1CN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC[N@H+]1C[C@H](C)O ZINC000248819710 655433471 /nfs/dbraw/zinc/43/34/71/655433471.db2.gz WJSVYQVRCHHIMD-JSGCOSHPSA-N 1 1 376.831 2.772 10 0 GFAEMO CC(=O)c1c(C)nn(CC(=O)N[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1C ZINC000015078911 210153127 /nfs/dbraw/zinc/15/31/27/210153127.db2.gz TZKORAYYSHGRBF-FQEVSTJZSA-N 1 1 382.508 2.526 10 0 GFAEMO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([N@@H+](C)Cc1cc(C)no1)C2 ZINC000014539286 210119856 /nfs/dbraw/zinc/11/98/56/210119856.db2.gz DUIHBDFNAMFPRY-INIZCTEOSA-N 1 1 385.512 2.815 10 0 GFAEMO C[C@H](CN1CC[NH+]([C@H]2Cc3ccccc3C[C@@H]2O)CC1)C(=O)c1ccccc1 ZINC000022032922 209237092 /nfs/dbraw/zinc/23/70/92/209237092.db2.gz SZDLYOHKAVLHRP-LEOXJPRUSA-N 1 1 378.516 2.651 10 0 GFAEMO Fc1ccc(N2CC[NH+](CCSc3nnc4ccccn43)CC2)c(F)c1 ZINC000067839144 209217154 /nfs/dbraw/zinc/21/71/54/209217154.db2.gz LOKBLLCVOKCEFR-UHFFFAOYSA-N 1 1 375.448 2.922 10 0 in-man GFAEMO CC(C)[NH+]1CCN(C(=O)c2ccc3c(c2)CC(=O)N3Cc2ccccc2)CC1 ZINC000096386232 211337838 /nfs/dbraw/zinc/33/78/38/211337838.db2.gz LYSIBRMQLKLIBD-UHFFFAOYSA-N 1 1 377.488 2.942 10 0 GFAEMO Cc1ccccc1C[N@@H+]1CCN(Cc2cc(=O)c3ccccc3[nH]2)C[C@@H]1CCO ZINC000020454616 210335259 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CC[C@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CC[N@H+]1C[C@@H](C)O ZINC000184966953 552349353 /nfs/dbraw/zinc/34/93/53/552349353.db2.gz GIKKNSHNCFKNBW-OCCSQVGLSA-N 1 1 381.318 2.602 10 0 GFAEMO CC[C@H]1CN(Cc2nc3ccc(Br)cc3[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000184966953 552349355 /nfs/dbraw/zinc/34/93/55/552349355.db2.gz GIKKNSHNCFKNBW-OCCSQVGLSA-N 1 1 381.318 2.602 10 0 GFAEMO CC[C@H]1CN(Cc2nc3ccc(Br)cc3[nH]2)CC[N@H+]1C[C@@H](C)O ZINC000184966953 552349357 /nfs/dbraw/zinc/34/93/57/552349357.db2.gz GIKKNSHNCFKNBW-OCCSQVGLSA-N 1 1 381.318 2.602 10 0 GFAEMO COC(=O)[C@@]1(C)CCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000186376067 552386252 /nfs/dbraw/zinc/38/62/52/552386252.db2.gz RXXISQQOCIGLPU-MRXNPFEDSA-N 1 1 387.249 2.944 10 0 GFAEMO COC(=O)[C@@]1(C)CCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000186376067 552386253 /nfs/dbraw/zinc/38/62/53/552386253.db2.gz RXXISQQOCIGLPU-MRXNPFEDSA-N 1 1 387.249 2.944 10 0 GFAEMO Cc1ccc(Br)cc1CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000187674686 552421402 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GFAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000245724558 553096347 /nfs/dbraw/zinc/09/63/47/553096347.db2.gz IENBPTVOCBSBPD-ZNMIVQPWSA-N 1 1 383.330 2.541 10 0 GFAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](C)Cc2ccc(Br)cc2)C[C@H]1C ZINC000245724558 553096349 /nfs/dbraw/zinc/09/63/49/553096349.db2.gz IENBPTVOCBSBPD-ZNMIVQPWSA-N 1 1 383.330 2.541 10 0 GFAEMO Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246337025 553106469 /nfs/dbraw/zinc/10/64/69/553106469.db2.gz GSASNDRREHPZHZ-UKRRQHHQSA-N 1 1 396.329 2.849 10 0 GFAEMO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1Br ZINC000246557221 553109882 /nfs/dbraw/zinc/10/98/82/553109882.db2.gz WJJQAJMOORKPBD-DOMZBBRYSA-N 1 1 382.302 2.541 10 0 GFAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@@H]1C ZINC000246680261 553111353 /nfs/dbraw/zinc/11/13/53/553111353.db2.gz IPANUKZKXKJSMP-KBPBESRZSA-N 1 1 383.330 2.640 10 0 GFAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C(C)(C)c2cccc(Br)c2)C[C@@H]1C ZINC000246680261 553111355 /nfs/dbraw/zinc/11/13/55/553111355.db2.gz IPANUKZKXKJSMP-KBPBESRZSA-N 1 1 383.330 2.640 10 0 GFAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(Br)ccc2Cl)C[C@@H]1C ZINC000246765325 553112700 /nfs/dbraw/zinc/11/27/00/553112700.db2.gz PAUGQNOYNFJVRC-QWRGUYRKSA-N 1 1 375.694 2.630 10 0 GFAEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(Br)ccc2Cl)C[C@@H]1C ZINC000246765325 553112701 /nfs/dbraw/zinc/11/27/01/553112701.db2.gz PAUGQNOYNFJVRC-QWRGUYRKSA-N 1 1 375.694 2.630 10 0 GFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000246863749 553114211 /nfs/dbraw/zinc/11/42/11/553114211.db2.gz DILMQJLWIMISHU-KGLIPLIRSA-N 1 1 395.297 2.919 10 0 GFAEMO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC[N@H+]1C[C@H](C)O ZINC000247048507 553118219 /nfs/dbraw/zinc/11/82/19/553118219.db2.gz YLIWHCVXVRFBKJ-HNONPPJISA-N 1 1 395.341 2.856 10 0 GFAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000247507191 553123557 /nfs/dbraw/zinc/12/35/57/553123557.db2.gz 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O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171500 655104018 /nfs/dbraw/zinc/10/40/18/655104018.db2.gz PHTPFMLJNRZSRQ-ZFWWWQNUSA-N 1 1 385.295 2.737 10 0 GFAEMO Brc1cc2c(cc1C[N@H+]1CCC[C@H](Cn3cncn3)C1)OCO2 ZINC000106174807 655104377 /nfs/dbraw/zinc/10/43/77/655104377.db2.gz OYINJWGTGRJFQC-LBPRGKRZSA-N 1 1 379.258 2.682 10 0 GFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(Br)cc2Cl)CC1 ZINC000106396780 655107868 /nfs/dbraw/zinc/10/78/68/655107868.db2.gz MLPCAESZSAAINM-GFCCVEGCSA-N 1 1 375.694 2.631 10 0 GFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000106397269 655107842 /nfs/dbraw/zinc/10/78/42/655107842.db2.gz CSCZFVOLPOXBEW-OAHLLOKOSA-N 1 1 379.913 2.992 10 0 GFAEMO CCOCC[NH+]1CCN(C(=O)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000111815350 655177751 /nfs/dbraw/zinc/17/77/51/655177751.db2.gz AQBWMCGAKKGMIP-AWEZNQCLSA-N 1 1 384.318 2.874 10 0 GFAEMO C[C@H](NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)c1ccccc1Br ZINC000175623423 655223919 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CC[C@H](Cc1ccccc1Br)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000135880284 655025021 /nfs/dbraw/zinc/02/50/21/655025021.db2.gz GAQFNHMQGZYWBO-BZUAXINKSA-N 1 1 397.357 2.931 10 0 GFAEMO CC[C@H](Cc1ccccc1Br)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000135880284 655025022 /nfs/dbraw/zinc/02/50/22/655025022.db2.gz GAQFNHMQGZYWBO-BZUAXINKSA-N 1 1 397.357 2.931 10 0 GFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000096537650 655031469 /nfs/dbraw/zinc/03/14/69/655031469.db2.gz ALIOEFNLTOMJNK-ZYHUDNBSSA-N 1 1 393.734 2.960 10 0 GFAEMO COCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2Br)C[C@H]1C ZINC000106108841 655102999 /nfs/dbraw/zinc/10/29/99/655102999.db2.gz WCQHVKCAPMCMOS-CABCVRRESA-N 1 1 398.345 2.737 10 0 GFAEMO COCC[N@H+]1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2Br)C[C@H]1C ZINC000106108841 655103000 /nfs/dbraw/zinc/10/30/00/655103000.db2.gz WCQHVKCAPMCMOS-CABCVRRESA-N 1 1 398.345 2.737 10 0 GFAEMO CC[C@H](O)C[NH+]1CCN(C(=O)CCSc2nc3ccccc3s2)CC1 ZINC000106395123 655107888 /nfs/dbraw/zinc/10/78/88/655107888.db2.gz RWRRUNJMJAXPID-AWEZNQCLSA-N 1 1 379.551 2.694 10 0 GFAEMO O=C(c1csc(I)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000113423717 655210127 /nfs/dbraw/zinc/21/01/27/655210127.db2.gz QYVCNQGEOLHHLT-LLVKDONJSA-N 1 1 376.263 2.663 10 0 GFAEMO O=C(c1csc(I)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000113423717 655210131 /nfs/dbraw/zinc/21/01/31/655210131.db2.gz QYVCNQGEOLHHLT-LLVKDONJSA-N 1 1 376.263 2.663 10 0 GFAEMO COc1ccc(Br)cc1CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000176520763 655249303 /nfs/dbraw/zinc/24/93/03/655249303.db2.gz LPPYPPIGOGXOMV-DOMZBBRYSA-N 1 1 384.318 2.986 10 0 GFAEMO COCC[N@H+]1CCN(Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)C[C@H]1C ZINC000117322966 655264201 /nfs/dbraw/zinc/26/42/01/655264201.db2.gz RKCKMSXXXPWZJI-CYBMUJFWSA-N 1 1 381.933 2.871 10 0 GFAEMO C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245736745 655428327 /nfs/dbraw/zinc/42/83/27/655428327.db2.gz UWYCOARVLBOLJE-MELADBBJSA-N 1 1 379.551 2.690 10 0 GFAEMO C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245736745 655428329 /nfs/dbraw/zinc/42/83/29/655428329.db2.gz UWYCOARVLBOLJE-MELADBBJSA-N 1 1 379.551 2.690 10 0 GFAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\c2ccc(I)o2)C1 ZINC000263635689 655452730 /nfs/dbraw/zinc/45/27/30/655452730.db2.gz AXSBJLAGNKEWJP-HHQZKXIDSA-N 1 1 388.249 2.742 10 0 GFAEMO