smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223178639 519164906 /nfs/dbraw/zinc/16/49/06/519164906.db2.gz ZGHKRVJYMSVANA-NHCUHLMSSA-N 1 2 427.618 3.333 40 0 IGABLO CCn1ccnc1C[N@@H+]1CCC[C@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1 ZINC000072345557 523533946 /nfs/dbraw/zinc/53/39/46/523533946.db2.gz TZRICKCENSUUKY-FQEVSTJZSA-N 1 2 448.571 3.320 40 0 IGABLO CCn1ccnc1C[N@H+]1CCC[C@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1 ZINC000072345557 523533950 /nfs/dbraw/zinc/53/39/50/523533950.db2.gz TZRICKCENSUUKY-FQEVSTJZSA-N 1 2 448.571 3.320 40 0 IGABLO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O ZINC000035877097 524217209 /nfs/dbraw/zinc/21/72/09/524217209.db2.gz HTVROKSUZNDXQZ-NMLACTOBSA-N 1 2 442.874 3.323 40 0 IGABLO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O ZINC000035877097 524217213 /nfs/dbraw/zinc/21/72/13/524217213.db2.gz HTVROKSUZNDXQZ-NMLACTOBSA-N 1 2 442.874 3.323 40 0 IGABLO COc1ccccc1C[NH+]1CCN([C@@H](c2nnnn2C(C)(C)C)c2ccc(F)cc2)CC1 ZINC000035290717 524452468 /nfs/dbraw/zinc/45/24/68/524452468.db2.gz FQVDJEWQAFDLKJ-JOCHJYFZSA-N 1 2 438.551 3.483 40 0 IGABLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)[C@H](O)[C@@H]1O[C@@H](c2ccccc2)OC[C@H]1O ZINC000005496242 556056663 /nfs/dbraw/zinc/05/66/63/556056663.db2.gz XMZAIGUGIRWAQM-RAVGUYNFSA-N 1 2 447.531 3.094 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006198027 556080285 /nfs/dbraw/zinc/08/02/85/556080285.db2.gz NNVBDNAILXJBKX-BPXKWBHBSA-N 1 2 436.560 3.077 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006198027 556080288 /nfs/dbraw/zinc/08/02/88/556080288.db2.gz NNVBDNAILXJBKX-BPXKWBHBSA-N 1 2 436.560 3.077 40 0 IGABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)CC1 ZINC000037093220 556447168 /nfs/dbraw/zinc/44/71/68/556447168.db2.gz DFRCGZWUYFOCIH-UHFFFAOYSA-N 1 2 425.913 3.058 40 0 IGABLO CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000044883114 556674370 /nfs/dbraw/zinc/67/43/70/556674370.db2.gz HLXXWSAFPILANZ-QFIPXVFZSA-N 1 2 440.569 3.350 40 0 IGABLO COc1cc(CNC(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)cc(OC)c1OC ZINC000019289981 556729921 /nfs/dbraw/zinc/72/99/21/556729921.db2.gz VJIRGWGZYAGNSK-KRWDZBQOSA-N 1 2 438.528 3.132 40 0 IGABLO O=C(CCn1cc[nH+]c1)N1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)c1ccccc1 ZINC000019368966 556746897 /nfs/dbraw/zinc/74/68/97/556746897.db2.gz PSSFIOHQCKVZRC-FKBYEOEOSA-N 1 2 434.565 3.492 40 0 IGABLO Cc1cc2[nH+]cn(CCC(=O)N3CCC[C@H]3c3nc(C)c4c(n3)N(C)C(=O)CC4)c2cc1C ZINC000019741877 556885308 /nfs/dbraw/zinc/88/53/08/556885308.db2.gz YPOJCSFZGOQVHK-FQEVSTJZSA-N 1 2 446.555 3.414 40 0 IGABLO Cc1nonc1NC(=O)C[NH+]1CCC([C@]2(C)CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019743974 556889408 /nfs/dbraw/zinc/88/94/08/556889408.db2.gz QFOZXNWZRUTEBX-DEOSSOPVSA-N 1 2 439.560 3.248 40 0 IGABLO CNc1ncccc1C[N@@H+]1CCC[C@H]1c1ncc(C(=O)NCc2ccccc2OC)c(C)n1 ZINC000072345387 556916991 /nfs/dbraw/zinc/91/69/91/556916991.db2.gz NASMBVODQVFAMP-NRFANRHFSA-N 1 2 446.555 3.497 40 0 IGABLO CNc1ncccc1C[N@H+]1CCC[C@H]1c1ncc(C(=O)NCc2ccccc2OC)c(C)n1 ZINC000072345387 556916994 /nfs/dbraw/zinc/91/69/94/556916994.db2.gz NASMBVODQVFAMP-NRFANRHFSA-N 1 2 446.555 3.497 40 0 IGABLO Cc1nc2ccccc2n1Cc1cc(N2CCN(C(=O)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000072373275 556946120 /nfs/dbraw/zinc/94/61/20/556946120.db2.gz DFZRSHAMTCQVQR-UHFFFAOYSA-N 1 2 426.524 3.454 40 0 IGABLO Cc1cccc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4cccc[nH+]4)C[C@@H]3C2)c1 ZINC000096251430 557188499 /nfs/dbraw/zinc/18/84/99/557188499.db2.gz IBRYNTUEYDFBLW-NVQXNPDNSA-N 1 2 432.568 3.275 40 0 IGABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4cc(C)cc(C)c4)CCOCC3)CC[N@@H+]2C)c1 ZINC000585262085 557200536 /nfs/dbraw/zinc/20/05/36/557200536.db2.gz RTEXHSYGHAZUFJ-XMMPIXPASA-N 1 2 449.595 3.227 40 0 IGABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4cc(C)cc(C)c4)CCOCC3)CC[N@H+]2C)c1 ZINC000585262085 557200541 /nfs/dbraw/zinc/20/05/41/557200541.db2.gz RTEXHSYGHAZUFJ-XMMPIXPASA-N 1 2 449.595 3.227 40 0 IGABLO CCC(=O)N1CCc2nc3cc([C@H]4CCC[N@H+](Cc5ccccc5F)C4)[nH]n3c(=O)c2C1 ZINC000100233709 557250891 /nfs/dbraw/zinc/25/08/91/557250891.db2.gz QBISCNHHXUZRNQ-KRWDZBQOSA-N 1 2 437.519 3.248 40 0 IGABLO CCC(=O)N1CCc2nc3cc([C@H]4CCC[N@@H+](Cc5ccccc5F)C4)[nH]n3c(=O)c2C1 ZINC000100233709 557250893 /nfs/dbraw/zinc/25/08/93/557250893.db2.gz QBISCNHHXUZRNQ-KRWDZBQOSA-N 1 2 437.519 3.248 40 0 IGABLO CC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057671318 557257160 /nfs/dbraw/zinc/25/71/60/557257160.db2.gz SUEJUZAZWIZLHZ-FQEVSTJZSA-N 1 2 434.544 3.340 40 0 IGABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495993 557326165 /nfs/dbraw/zinc/32/61/65/557326165.db2.gz IMZZSAYTHNHWBU-HSZRJFAPSA-N 1 2 446.555 3.207 40 0 IGABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495993 557326169 /nfs/dbraw/zinc/32/61/69/557326169.db2.gz IMZZSAYTHNHWBU-HSZRJFAPSA-N 1 2 446.555 3.207 40 0 IGABLO O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1ccc2[nH+]ccn2c1 ZINC000095920765 557334465 /nfs/dbraw/zinc/33/44/65/557334465.db2.gz XRDVXQQZLHVEQZ-UHFFFAOYSA-N 1 2 427.432 3.375 40 0 in-vitro IGABLO Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223132972 557436729 /nfs/dbraw/zinc/43/67/29/557436729.db2.gz ZJACXBFLDFINFN-RPWUZVMVSA-N 1 2 447.608 3.485 40 0 IGABLO Cc1cccc(C)c1N(Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000223210388 557446418 /nfs/dbraw/zinc/44/64/18/557446418.db2.gz IEMJFECMCGPRBL-UHFFFAOYSA-N 1 2 440.569 3.286 40 0 IGABLO CC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020098624 557515254 /nfs/dbraw/zinc/51/52/54/557515254.db2.gz NDDKMGWHTKAROP-HXUWFJFHSA-N 1 2 440.573 3.126 40 0 IGABLO Cc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225465875 557726089 /nfs/dbraw/zinc/72/60/89/557726089.db2.gz FYGCHQZWBZDTPH-UHFFFAOYSA-N 1 2 439.006 3.393 40 0 IGABLO Cc1nc(Cc2ccccc2)ncc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000225795125 557778451 /nfs/dbraw/zinc/77/84/51/557778451.db2.gz NQFOTBALWMIYJG-UHFFFAOYSA-N 1 2 430.508 3.063 40 0 IGABLO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000257200409 568664979 /nfs/dbraw/zinc/66/49/79/568664979.db2.gz ADEMKVHAGKTYLY-QHCPKHFHSA-N 1 2 440.931 3.256 40 0 IGABLO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000257200409 568664984 /nfs/dbraw/zinc/66/49/84/568664984.db2.gz ADEMKVHAGKTYLY-QHCPKHFHSA-N 1 2 440.931 3.256 40 0 IGABLO Cc1noc(C)c1CC(=O)N1CCO[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000257258275 568692498 /nfs/dbraw/zinc/69/24/98/568692498.db2.gz KTCRTTYSQWJSBP-OAQYLSRUSA-N 1 2 436.516 3.288 40 0 IGABLO O=C(N1CCOC[C@@H](Cc2ccc3[nH+]ccn3c2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000257262769 568694450 /nfs/dbraw/zinc/69/44/50/568694450.db2.gz LMVNAPIAQNXBMJ-FQEVSTJZSA-N 1 2 437.515 3.239 40 0 IGABLO Cc1nc(CC(=O)N2CCO[C@H](c3cc(Nc4nnc(C)s4)cc(C)[nH+]3)C2)cs1 ZINC000257267158 568696526 /nfs/dbraw/zinc/69/65/26/568696526.db2.gz MGEKGLLLFYRTAJ-KRWDZBQOSA-N 1 2 430.559 3.201 40 0 IGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(CCOc3ccccc3Cl)n(C)n2)C1 ZINC000257270988 568698265 /nfs/dbraw/zinc/69/82/65/568698265.db2.gz MWKORDDCYQRSIL-QFIPXVFZSA-N 1 2 429.952 3.310 40 0 IGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(CCOc3ccccc3Cl)n(C)n2)C1 ZINC000257270988 568698266 /nfs/dbraw/zinc/69/82/66/568698266.db2.gz MWKORDDCYQRSIL-QFIPXVFZSA-N 1 2 429.952 3.310 40 0 IGABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(OC)c(O)c(OC)c1 ZINC000261366349 568733819 /nfs/dbraw/zinc/73/38/19/568733819.db2.gz ZADXHNXZUMXHCA-LJQANCHMSA-O 1 2 427.506 3.334 40 0 IGABLO COc1ccccc1-c1ccc2c([C@@H]3C[N@H+](Cc4cccnc4OC)CCN3C)nnn2c1 ZINC000306128441 568765285 /nfs/dbraw/zinc/76/52/85/568765285.db2.gz HAJRHFIAZBPPSQ-QFIPXVFZSA-N 1 2 444.539 3.297 40 0 IGABLO COc1ccccc1-c1ccc2c([C@@H]3C[N@@H+](Cc4cccnc4OC)CCN3C)nnn2c1 ZINC000306128441 568765287 /nfs/dbraw/zinc/76/52/87/568765287.db2.gz HAJRHFIAZBPPSQ-QFIPXVFZSA-N 1 2 444.539 3.297 40 0 IGABLO Cc1ccc(C(=O)N2C[C@H](c3cn(C(C)C)c[nH+]3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)o1 ZINC000306135144 568768928 /nfs/dbraw/zinc/76/89/28/568768928.db2.gz OJCOUFRTXACSIX-NLFFAJNJSA-N 1 2 447.539 3.419 40 0 IGABLO Cc1ccc(C(=O)N2C[C@@H](c3cn(C(C)C)c[nH+]3)[C@@]3(CCN(Cc4ccncc4)C3=O)C2)o1 ZINC000306135143 568768998 /nfs/dbraw/zinc/76/89/98/568768998.db2.gz OJCOUFRTXACSIX-NBGIEHNGSA-N 1 2 447.539 3.419 40 0 IGABLO C[C@@H](CO)Nc1nc(NCc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329047891 568810281 /nfs/dbraw/zinc/81/02/81/568810281.db2.gz UIBKYOKUYAVHMC-ZDUSSCGKSA-N 1 2 436.409 3.430 40 0 IGABLO COc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(N[C@@H](C)CO)n2)c1 ZINC000329052580 568810603 /nfs/dbraw/zinc/81/06/03/568810603.db2.gz VCLUKFVPCCPOMB-AWEZNQCLSA-N 1 2 448.445 3.299 40 0 IGABLO COc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NCCCO)n1 ZINC000329064205 568810810 /nfs/dbraw/zinc/81/08/10/568810810.db2.gz XHQXZRMUPHVQCL-UHFFFAOYSA-N 1 2 448.445 3.301 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000231450145 569186039 /nfs/dbraw/zinc/18/60/39/569186039.db2.gz NNVBDNAILXJBKX-ZWDAVXSWSA-N 1 2 436.560 3.077 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000231450145 569186040 /nfs/dbraw/zinc/18/60/40/569186040.db2.gz NNVBDNAILXJBKX-ZWDAVXSWSA-N 1 2 436.560 3.077 40 0 IGABLO COc1ccccc1/C=C/C[N@@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692974 569228503 /nfs/dbraw/zinc/22/85/03/569228503.db2.gz NURXUEBIRBNCOW-XOPAWIAISA-N 1 2 432.528 3.095 40 0 IGABLO COc1ccccc1/C=C/C[N@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692974 569228504 /nfs/dbraw/zinc/22/85/04/569228504.db2.gz NURXUEBIRBNCOW-XOPAWIAISA-N 1 2 432.528 3.095 40 0 IGABLO COc1ccc([C@@H]2N(C(C)=O)c3ccc(Cl)cc3-c3c(=O)[nH]c(SC)n[n+]32)cc1 ZINC000261363140 569315615 /nfs/dbraw/zinc/31/56/15/569315615.db2.gz GELGAWSBTPDRFO-LJQANCHMSA-O 1 2 429.909 3.434 40 0 IGABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000006282931 193895485 /nfs/dbraw/zinc/89/54/85/193895485.db2.gz LLVQCRKJWUWAGW-JOCHJYFZSA-N 1 2 448.502 3.286 40 0 IGABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012466353 525640452 /nfs/dbraw/zinc/64/04/52/525640452.db2.gz KPBYVXIWNNHZBC-UZUQRXQVSA-N 1 2 444.539 3.393 40 0 IGABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012466353 525640458 /nfs/dbraw/zinc/64/04/58/525640458.db2.gz KPBYVXIWNNHZBC-UZUQRXQVSA-N 1 2 444.539 3.393 40 0 IGABLO Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000020456187 526185180 /nfs/dbraw/zinc/18/51/80/526185180.db2.gz ODQMKCINJHHHOM-UHFFFAOYSA-N 1 2 438.553 3.285 40 0 IGABLO O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000022427757 526704462 /nfs/dbraw/zinc/70/44/62/526704462.db2.gz IXMCODNDCGEIEU-UHFFFAOYSA-N 1 2 446.532 3.384 40 0 IGABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2 ZINC000020674065 527554662 /nfs/dbraw/zinc/55/46/62/527554662.db2.gz PBAFBKPWPQXHRX-CYBMUJFWSA-N 1 2 435.315 3.420 40 0 IGABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000020635666 527555433 /nfs/dbraw/zinc/55/54/33/527555433.db2.gz ZGWIJHHCTYKTDM-ZDUSSCGKSA-N 1 2 434.422 3.132 40 0 IGABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)Nc1ccccc1C(F)(F)F)CC(=O)N2 ZINC000020674047 527555505 /nfs/dbraw/zinc/55/55/05/527555505.db2.gz OQSATFORUQQTMN-LLVKDONJSA-N 1 2 434.422 3.132 40 0 IGABLO Cc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408627075 555997769 /nfs/dbraw/zinc/99/77/69/555997769.db2.gz XVXSNLGOZGMSSM-UHFFFAOYSA-N 1 2 432.933 3.466 40 0 IGABLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)[C@@H](O)[C@@H]1O[C@@H](c2ccccc2)OC[C@H]1O ZINC000005496243 556056524 /nfs/dbraw/zinc/05/65/24/556056524.db2.gz XMZAIGUGIRWAQM-CWTOASCOSA-N 1 2 447.531 3.094 40 0 IGABLO Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCC[N@@H+](CC(=O)Nc3cc(C)on3)C2)on1 ZINC000019124191 556702525 /nfs/dbraw/zinc/70/25/25/556702525.db2.gz DKLANRZZBFKODU-INIZCTEOSA-N 1 2 435.488 3.116 40 0 IGABLO Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCC[N@H+](CC(=O)Nc3cc(C)on3)C2)on1 ZINC000019124191 556702526 /nfs/dbraw/zinc/70/25/26/556702526.db2.gz DKLANRZZBFKODU-INIZCTEOSA-N 1 2 435.488 3.116 40 0 IGABLO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)c2ccc(F)cc2)CC3)n1 ZINC000019236237 556720746 /nfs/dbraw/zinc/72/07/46/556720746.db2.gz NIIQTYDECYMMMZ-JOCHJYFZSA-N 1 2 447.514 3.148 40 0 IGABLO Cc1cccc(C[N@H+]2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)c2ccc(F)cc2)CC3)n1 ZINC000019236237 556720748 /nfs/dbraw/zinc/72/07/48/556720748.db2.gz NIIQTYDECYMMMZ-JOCHJYFZSA-N 1 2 447.514 3.148 40 0 IGABLO CNc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(NC(C)=O)cc2)nc2c1CN(C(C)=O)CC2 ZINC000019710416 556873102 /nfs/dbraw/zinc/87/31/02/556873102.db2.gz HEYLIISYUWQPJV-JOCHJYFZSA-N 1 2 436.560 3.109 40 0 IGABLO CNc1nc([C@H]2CCCC[N@H+]2Cc2ccc(NC(C)=O)cc2)nc2c1CN(C(C)=O)CC2 ZINC000019710416 556873107 /nfs/dbraw/zinc/87/31/07/556873107.db2.gz HEYLIISYUWQPJV-JOCHJYFZSA-N 1 2 436.560 3.109 40 0 IGABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000408959653 556899719 /nfs/dbraw/zinc/89/97/19/556899719.db2.gz CPIXMPLZQFYANE-QNGOZBTKSA-N 1 2 429.480 3.075 40 0 IGABLO COc1ccccc1C[C@@H](C)Nc1nc(C2CCN(C(C)=O)CC2)nc2c1C[N@H+](C)CC2 ZINC000072372292 556941973 /nfs/dbraw/zinc/94/19/73/556941973.db2.gz ODBPJBAWBUQWSZ-QGZVFWFLSA-N 1 2 437.588 3.242 40 0 IGABLO COc1ccccc1C[C@@H](C)Nc1nc(C2CCN(C(C)=O)CC2)nc2c1C[N@@H+](C)CC2 ZINC000072372292 556941977 /nfs/dbraw/zinc/94/19/77/556941977.db2.gz ODBPJBAWBUQWSZ-QGZVFWFLSA-N 1 2 437.588 3.242 40 0 IGABLO CNc1nc([C@H]2CCCCN2C(=O)CCN(C)c2cccc(F)c2)nc2c1C[N@H+](C)CC2 ZINC000072372351 556942237 /nfs/dbraw/zinc/94/22/37/556942237.db2.gz JFQZFZVRVDFGBR-OAQYLSRUSA-N 1 2 440.567 3.225 40 0 IGABLO CNc1nc([C@H]2CCCCN2C(=O)CCN(C)c2cccc(F)c2)nc2c1C[N@@H+](C)CC2 ZINC000072372351 556942239 /nfs/dbraw/zinc/94/22/39/556942239.db2.gz JFQZFZVRVDFGBR-OAQYLSRUSA-N 1 2 440.567 3.225 40 0 IGABLO CC(=O)N1Cc2cc(C)ccc2OC2(CC[NH+](CC(=O)Nc3ccccc3F)CC2)C1 ZINC000072394448 556965822 /nfs/dbraw/zinc/96/58/22/556965822.db2.gz HRWDSKIPLOJFMQ-UHFFFAOYSA-N 1 2 425.504 3.348 40 0 IGABLO Cc1ccc(C)c(N(CCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)c1 ZINC000020105317 556982158 /nfs/dbraw/zinc/98/21/58/556982158.db2.gz JRDZDHDIBKCXSD-UHFFFAOYSA-N 1 2 440.569 3.352 40 0 IGABLO CCCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000020150652 556991138 /nfs/dbraw/zinc/99/11/38/556991138.db2.gz OXZUZPBRMZLICA-AIFLQVKLSA-N 1 2 436.508 3.253 40 0 IGABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000216306944 557142656 /nfs/dbraw/zinc/14/26/56/557142656.db2.gz WJYGQZWHTRPVFH-UHFFFAOYSA-N 1 2 438.553 3.118 40 0 IGABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(O)CC3)c(=O)[nH]c2cc1C ZINC000057589922 557253757 /nfs/dbraw/zinc/25/37/57/557253757.db2.gz YTIAXGPMEDBHIP-QFIPXVFZSA-N 1 2 436.560 3.183 40 0 IGABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057653477 557256393 /nfs/dbraw/zinc/25/63/93/557256393.db2.gz BKIDEXYWZCEEKV-HXUWFJFHSA-N 1 2 426.565 3.304 40 0 IGABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057653477 557256396 /nfs/dbraw/zinc/25/63/96/557256396.db2.gz BKIDEXYWZCEEKV-HXUWFJFHSA-N 1 2 426.565 3.304 40 0 IGABLO [NH3+][C@@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ncccn3)n2)CC1 ZINC000100708854 557270713 /nfs/dbraw/zinc/27/07/13/557270713.db2.gz UIISZAIDRRIPFH-NSHGMRRFSA-N 1 2 449.534 3.109 40 0 IGABLO C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2Cl)CC1 ZINC000220008992 557276848 /nfs/dbraw/zinc/27/68/48/557276848.db2.gz BUDPOGJZNFPEKK-HXUWFJFHSA-N 1 2 447.988 3.084 40 0 IGABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500762 557324400 /nfs/dbraw/zinc/32/44/00/557324400.db2.gz UZRLICOWHPYRDA-HXUWFJFHSA-N 1 2 442.564 3.004 40 0 IGABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500762 557324402 /nfs/dbraw/zinc/32/44/02/557324402.db2.gz UZRLICOWHPYRDA-HXUWFJFHSA-N 1 2 442.564 3.004 40 0 IGABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498931 557328143 /nfs/dbraw/zinc/32/81/43/557328143.db2.gz SBKMSPHNNKWITP-NRFANRHFSA-N 1 2 440.592 3.468 40 0 IGABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498931 557328146 /nfs/dbraw/zinc/32/81/46/557328146.db2.gz SBKMSPHNNKWITP-NRFANRHFSA-N 1 2 440.592 3.468 40 0 IGABLO Cc1ccc(C)c(N(Cc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)S(C)(=O)=O)c1 ZINC000222932073 557404805 /nfs/dbraw/zinc/40/48/05/557404805.db2.gz FGSRWZPIJFXKPG-UHFFFAOYSA-N 1 2 440.569 3.286 40 0 IGABLO Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223133081 557436693 /nfs/dbraw/zinc/43/66/93/557436693.db2.gz ZJACXBFLDFINFN-ZEQRLZLVSA-N 1 2 447.608 3.485 40 0 IGABLO COC(=O)c1ccc(NCCCn2cc[nH+]c2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223413238 557468710 /nfs/dbraw/zinc/46/87/10/557468710.db2.gz JAUDURICRKVBMC-UHFFFAOYSA-N 1 2 428.514 3.281 40 0 IGABLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017357857 557492196 /nfs/dbraw/zinc/49/21/96/557492196.db2.gz FDBHHOKMFXITEX-UHFFFAOYSA-N 1 2 441.597 3.128 40 0 IGABLO CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCC[NH+]1CCOCC1 ZINC000019521640 557501496 /nfs/dbraw/zinc/50/14/96/557501496.db2.gz LYBPRMZFRTWELH-UHFFFAOYSA-N 1 2 425.533 3.028 40 0 IGABLO COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223696923 557503331 /nfs/dbraw/zinc/50/33/31/557503331.db2.gz JCXATMGBUDFFIJ-DHIUTWEWSA-N 1 2 449.580 3.474 40 0 IGABLO Cc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225310849 557710715 /nfs/dbraw/zinc/71/07/15/557710715.db2.gz KZJKCKRWRSCDAU-UHFFFAOYSA-N 1 2 435.977 3.156 40 0 IGABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000257215083 568672025 /nfs/dbraw/zinc/67/20/25/568672025.db2.gz COQCSZNXBVUEAU-HXUWFJFHSA-N 1 2 435.450 3.357 40 0 IGABLO Cn1cc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000257215083 568672028 /nfs/dbraw/zinc/67/20/28/568672028.db2.gz COQCSZNXBVUEAU-HXUWFJFHSA-N 1 2 435.450 3.357 40 0 IGABLO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CN(S(=O)(=O)c4ccccc4)CCO3)c2)n1 ZINC000257241200 568684321 /nfs/dbraw/zinc/68/43/21/568684321.db2.gz HXBXLUILXYOQAK-OAQYLSRUSA-N 1 2 439.541 3.303 40 0 IGABLO Cc1nc(CC(=O)N2CCO[C@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)[nH+]3)C2)cs1 ZINC000257263010 568694778 /nfs/dbraw/zinc/69/47/78/568694778.db2.gz LNZLLETVKUTDFX-FQEVSTJZSA-N 1 2 438.557 3.448 40 0 IGABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257292363 568707778 /nfs/dbraw/zinc/70/77/78/568707778.db2.gz QLEANHVIYLDWTF-JOCHJYFZSA-N 1 2 434.968 3.260 40 0 IGABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257292363 568707781 /nfs/dbraw/zinc/70/77/81/568707781.db2.gz QLEANHVIYLDWTF-JOCHJYFZSA-N 1 2 434.968 3.260 40 0 IGABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCOC[C@H](Cc2cccc3cccnc32)C1 ZINC000257327391 568723160 /nfs/dbraw/zinc/72/31/60/568723160.db2.gz XBDNPNGHCOBJOD-OAQYLSRUSA-N 1 2 445.563 3.398 40 0 IGABLO CN1CCN(C(=O)C[N@H+](C)Cc2cccnc2)[C@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000257336761 568727453 /nfs/dbraw/zinc/72/74/53/568727453.db2.gz YPYGGNRKSUZVMB-JOCHJYFZSA-N 1 2 448.592 3.154 40 0 IGABLO CN1CCN(C(=O)C[N@@H+](C)Cc2cccnc2)[C@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000257336761 568727454 /nfs/dbraw/zinc/72/74/54/568727454.db2.gz YPYGGNRKSUZVMB-JOCHJYFZSA-N 1 2 448.592 3.154 40 0 IGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Cl)ccc1N(C(C)=O)[C@@H]2c1ccc2c(c1)OCO2 ZINC000261365637 568733778 /nfs/dbraw/zinc/73/37/78/568733778.db2.gz UJCBXPKHEQFZTM-IBGZPJMESA-O 1 2 443.892 3.154 40 0 IGABLO CC(C)C[C@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019446801 568876041 /nfs/dbraw/zinc/87/60/41/568876041.db2.gz UJTZOHCLBNRORE-HXUWFJFHSA-N 1 2 426.565 3.422 40 0 IGABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500290 568904887 /nfs/dbraw/zinc/90/48/87/568904887.db2.gz CQTXYGQGBAOINY-NRFANRHFSA-N 1 2 440.592 3.468 40 0 IGABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCCO)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500290 568904890 /nfs/dbraw/zinc/90/48/90/568904890.db2.gz CQTXYGQGBAOINY-NRFANRHFSA-N 1 2 440.592 3.468 40 0 IGABLO Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1C ZINC000231512109 569186044 /nfs/dbraw/zinc/18/60/44/569186044.db2.gz OLLOJOVZGDEESM-YIFZBPKDSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1C ZINC000231512109 569186045 /nfs/dbraw/zinc/18/60/45/569186045.db2.gz OLLOJOVZGDEESM-YIFZBPKDSA-N 1 2 436.560 3.132 40 0 IGABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000245230263 569205400 /nfs/dbraw/zinc/20/54/00/569205400.db2.gz OKOQWIQBVSTCSX-XWQURZDVSA-N 1 2 440.521 3.113 40 0 IGABLO CN(C)c1ncc(-c2cncnc2)c([C@H]2C[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)CCO2)n1 ZINC000019692979 569228440 /nfs/dbraw/zinc/22/84/40/569228440.db2.gz YAFKVNULAMZBBU-JOCHJYFZSA-N 1 2 446.555 3.287 40 0 IGABLO CN(C)c1ncc(-c2cncnc2)c([C@H]2C[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)CCO2)n1 ZINC000019692979 569228442 /nfs/dbraw/zinc/22/84/42/569228442.db2.gz YAFKVNULAMZBBU-JOCHJYFZSA-N 1 2 446.555 3.287 40 0 IGABLO CCN(CC)S(=O)(=O)N1CC[C@H](c2nc3c(c(C)[nH+]2)CCCN3Cc2ccccc2)C1 ZINC000019707552 569234293 /nfs/dbraw/zinc/23/42/93/569234293.db2.gz FVNTTYVZTLYWOO-FQEVSTJZSA-N 1 2 443.617 3.114 40 0 IGABLO CCOc1cc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)ccc1OC ZINC000261364422 569315745 /nfs/dbraw/zinc/31/57/45/569315745.db2.gz LJVGMSLXUSIEHK-NRFANRHFSA-O 1 2 439.517 3.179 40 0 IGABLO COc1cc2c(cc1C[N@@H+]1CCO[C@H](c3nccnc3-c3ccc(C(N)=O)cc3)C1)CCC2 ZINC000019693459 569326572 /nfs/dbraw/zinc/32/65/72/569326572.db2.gz GCTBVLAPIYOPBG-QHCPKHFHSA-N 1 2 444.535 3.313 40 0 IGABLO COc1cc2c(cc1C[N@H+]1CCO[C@H](c3nccnc3-c3ccc(C(N)=O)cc3)C1)CCC2 ZINC000019693459 569326573 /nfs/dbraw/zinc/32/65/73/569326573.db2.gz GCTBVLAPIYOPBG-QHCPKHFHSA-N 1 2 444.535 3.313 40 0 IGABLO CC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000013505127 132348694 /nfs/dbraw/zinc/34/86/94/132348694.db2.gz KAHGSIWAEDWYLA-HXUWFJFHSA-N 1 2 434.544 3.340 40 0 IGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@@H+]1CCC[C@@H](C)C1 ZINC000012713241 521372697 /nfs/dbraw/zinc/37/26/97/521372697.db2.gz CHGRYSUQIOMRRC-JLTOFOAXSA-N 1 2 438.532 3.210 40 0 IGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@H+]1CCC[C@@H](C)C1 ZINC000012713241 521372703 /nfs/dbraw/zinc/37/27/03/521372703.db2.gz CHGRYSUQIOMRRC-JLTOFOAXSA-N 1 2 438.532 3.210 40 0 IGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@@H+]1CCC[C@@H](C)C1 ZINC000012713234 521373601 /nfs/dbraw/zinc/37/36/01/521373601.db2.gz CHGRYSUQIOMRRC-VLIAUNLRSA-N 1 2 438.532 3.210 40 0 IGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@H+]1CCC[C@@H](C)C1 ZINC000012713234 521373611 /nfs/dbraw/zinc/37/36/11/521373611.db2.gz CHGRYSUQIOMRRC-VLIAUNLRSA-N 1 2 438.532 3.210 40 0 IGABLO CC(C)c1ccc(N(CC(=O)NCCCn2cc[nH+]c2)S(=O)(=O)c2ccccc2)cc1 ZINC000408629903 556000505 /nfs/dbraw/zinc/00/05/05/556000505.db2.gz KBVASDIYWDLSTC-UHFFFAOYSA-N 1 2 440.569 3.408 40 0 IGABLO Cc1cccc(N(CC(=O)NCCCn2cc[nH+]c2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000408629574 556004002 /nfs/dbraw/zinc/00/40/02/556004002.db2.gz DQONSRDKAVWXFV-UHFFFAOYSA-N 1 2 446.960 3.247 40 0 IGABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408636243 556019000 /nfs/dbraw/zinc/01/90/00/556019000.db2.gz MMHJSUONHZCRNT-UHFFFAOYSA-N 1 2 441.475 3.202 40 0 IGABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3Cl)c2)CC1 ZINC000014495961 556419279 /nfs/dbraw/zinc/41/92/79/556419279.db2.gz LMNKQZYEFWHWLY-UHFFFAOYSA-N 1 2 428.341 3.182 40 0 IGABLO Cc1cc(C)n(Cc2ccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)n1 ZINC000138161916 556700319 /nfs/dbraw/zinc/70/03/19/556700319.db2.gz GUUNXVSXAKDBDM-UHFFFAOYSA-N 1 2 432.524 3.235 40 0 IGABLO CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC000019448983 556759063 /nfs/dbraw/zinc/75/90/63/556759063.db2.gz FKZHFJAWMPVWHI-RXFWQSSRSA-N 1 2 445.567 3.492 40 0 IGABLO CCOc1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc1OC ZINC000019533904 556793711 /nfs/dbraw/zinc/79/37/11/556793711.db2.gz ZRJLCOVDICCNFA-UHFFFAOYSA-N 1 2 426.561 3.402 40 0 IGABLO CCOc1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc1OC ZINC000019533904 556793713 /nfs/dbraw/zinc/79/37/13/556793713.db2.gz ZRJLCOVDICCNFA-UHFFFAOYSA-N 1 2 426.561 3.402 40 0 IGABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006283287 556831663 /nfs/dbraw/zinc/83/16/63/556831663.db2.gz KPBYVXIWNNHZBC-SBUREZEXSA-N 1 2 444.539 3.393 40 0 IGABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006283287 556831666 /nfs/dbraw/zinc/83/16/66/556831666.db2.gz KPBYVXIWNNHZBC-SBUREZEXSA-N 1 2 444.539 3.393 40 0 IGABLO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCCC3)c(=O)[nH]c2c1 ZINC000006301900 556832486 /nfs/dbraw/zinc/83/24/86/556832486.db2.gz SCZOZKAWFFINTF-XMSQKQJNSA-N 1 2 436.560 3.276 40 0 IGABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1CCOC)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000008586215 556842405 /nfs/dbraw/zinc/84/24/05/556842405.db2.gz JIYHNVAVCDXSOQ-QHCPKHFHSA-N 1 2 446.555 3.389 40 0 IGABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1CCOC)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000008586215 556842406 /nfs/dbraw/zinc/84/24/06/556842406.db2.gz JIYHNVAVCDXSOQ-QHCPKHFHSA-N 1 2 446.555 3.389 40 0 IGABLO COc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc3c(c(N(C)C)n2)C[N@H+](C)CC3)cc1 ZINC000019710425 556873171 /nfs/dbraw/zinc/87/31/71/556873171.db2.gz UKQXWKGZADGGNB-JOCHJYFZSA-N 1 2 437.588 3.226 40 0 IGABLO COc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc3c(c(N(C)C)n2)C[N@@H+](C)CC3)cc1 ZINC000019710425 556873173 /nfs/dbraw/zinc/87/31/73/556873173.db2.gz UKQXWKGZADGGNB-JOCHJYFZSA-N 1 2 437.588 3.226 40 0 IGABLO COCc1ccc(C(=O)N2CCC(c3ccc4c(NCc5[nH]cc[nH+]5)n[nH]c4n3)CC2)cc1 ZINC000019745182 556891977 /nfs/dbraw/zinc/89/19/77/556891977.db2.gz VHWBDLREWHSPTH-UHFFFAOYSA-N 1 2 445.527 3.459 40 0 IGABLO Cc1[nH]c2ccc(NC(=O)CC3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cc2[nH+]1 ZINC000019748634 556892990 /nfs/dbraw/zinc/89/29/90/556892990.db2.gz QMAIHDNVOWLOTR-UHFFFAOYSA-N 1 2 430.505 3.440 40 0 IGABLO CCn1c(C)[nH+]c2cc(NC(=O)c3ccc(=O)n(CC(=O)NC4CCCCC4)c3)ccc21 ZINC000019750897 556894877 /nfs/dbraw/zinc/89/48/77/556894877.db2.gz VRTSPTIFYKSHJV-UHFFFAOYSA-N 1 2 435.528 3.228 40 0 IGABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 ZINC000019761979 556905909 /nfs/dbraw/zinc/90/59/09/556905909.db2.gz UZIMJESGQIKLSP-VWLOTQADSA-N 1 2 449.551 3.190 40 0 IGABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 ZINC000019761979 556905913 /nfs/dbraw/zinc/90/59/13/556905913.db2.gz UZIMJESGQIKLSP-VWLOTQADSA-N 1 2 449.551 3.190 40 0 IGABLO CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1ncc(C(=O)NCc2ccccc2OC)c(C)n1 ZINC000072345388 556916907 /nfs/dbraw/zinc/91/69/07/556916907.db2.gz NASMBVODQVFAMP-OAQYLSRUSA-N 1 2 446.555 3.497 40 0 IGABLO CNc1ncccc1C[N@H+]1CCC[C@@H]1c1ncc(C(=O)NCc2ccccc2OC)c(C)n1 ZINC000072345388 556916909 /nfs/dbraw/zinc/91/69/09/556916909.db2.gz NASMBVODQVFAMP-OAQYLSRUSA-N 1 2 446.555 3.497 40 0 IGABLO Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)cc(CCc2nc3ccccc3[nH]2)[nH+]1 ZINC000072373276 556946167 /nfs/dbraw/zinc/94/61/67/556946167.db2.gz UJAWRXKRPUEOOZ-UHFFFAOYSA-N 1 2 426.524 3.409 40 0 IGABLO COCc1nnc(NC(=O)C[N@@H+]2CC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)s1 ZINC000072374811 556949092 /nfs/dbraw/zinc/94/90/92/556949092.db2.gz HDYJNUXMUDBWMM-LJQANCHMSA-N 1 2 437.569 3.407 40 0 IGABLO COCc1nnc(NC(=O)C[N@H+]2CC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)s1 ZINC000072374811 556949096 /nfs/dbraw/zinc/94/90/96/556949096.db2.gz HDYJNUXMUDBWMM-LJQANCHMSA-N 1 2 437.569 3.407 40 0 IGABLO CNc1cc(Nc2nccc([C@H]3CCC[N@H+](CC(=O)Nc4ccc(F)cc4)C3)n2)ncn1 ZINC000072377597 556956219 /nfs/dbraw/zinc/95/62/19/556956219.db2.gz WEWKVXKVKBEULM-HNNXBMFYSA-N 1 2 436.495 3.009 40 0 IGABLO CNc1cc(Nc2nccc([C@H]3CCC[N@@H+](CC(=O)Nc4ccc(F)cc4)C3)n2)ncn1 ZINC000072377597 556956220 /nfs/dbraw/zinc/95/62/20/556956220.db2.gz WEWKVXKVKBEULM-HNNXBMFYSA-N 1 2 436.495 3.009 40 0 IGABLO CC(C)(C)c1ccc(OCC(=O)N2CCO[C@@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C2)cc1 ZINC000072391972 556962753 /nfs/dbraw/zinc/96/27/53/556962753.db2.gz VEZLGJALWMQNGN-HXUWFJFHSA-N 1 2 435.528 3.330 40 0 IGABLO CS(=O)(=O)Nc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1Cl ZINC000020107876 556983780 /nfs/dbraw/zinc/98/37/80/556983780.db2.gz XCXHAIQTLAOHKZ-VMPITWQZSA-N 1 2 433.961 3.183 40 0 IGABLO CS(=O)(=O)Nc1ccc(Cl)c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000020110178 556984773 /nfs/dbraw/zinc/98/47/73/556984773.db2.gz GAXRYWUCDYZHCQ-VMPITWQZSA-N 1 2 433.961 3.183 40 0 IGABLO COc1ccc(CN2[C@]3(CC[N@H+](Cc4nccs4)C3)c3ccccc3S2(=O)=O)cc1 ZINC000096143242 557170110 /nfs/dbraw/zinc/17/01/10/557170110.db2.gz MFTNUBZKLMYBNG-QFIPXVFZSA-N 1 2 441.578 3.457 40 0 IGABLO COc1ccc(CN2[C@]3(CC[N@@H+](Cc4nccs4)C3)c3ccccc3S2(=O)=O)cc1 ZINC000096143242 557170113 /nfs/dbraw/zinc/17/01/13/557170113.db2.gz MFTNUBZKLMYBNG-QFIPXVFZSA-N 1 2 441.578 3.457 40 0 IGABLO CC(C)(C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](Cc2ccncc2)CC4)C1 ZINC000100233669 557250332 /nfs/dbraw/zinc/25/03/32/557250332.db2.gz KHXCCTFBBMWWTE-GOSISDBHSA-N 1 2 448.571 3.140 40 0 IGABLO CC(C)(C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](Cc2ccncc2)CC4)C1 ZINC000100233669 557250336 /nfs/dbraw/zinc/25/03/36/557250336.db2.gz KHXCCTFBBMWWTE-GOSISDBHSA-N 1 2 448.571 3.140 40 0 IGABLO Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223132915 557436761 /nfs/dbraw/zinc/43/67/61/557436761.db2.gz ZJACXBFLDFINFN-DNQXCXABSA-N 1 2 447.608 3.485 40 0 IGABLO Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223150486 557439284 /nfs/dbraw/zinc/43/92/84/557439284.db2.gz KDCXVHNUOQKUKE-BJKOFHAPSA-N 1 2 447.608 3.485 40 0 IGABLO Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000223150626 557439455 /nfs/dbraw/zinc/43/94/55/557439455.db2.gz VNVNOLVIIFMKBJ-DNQXCXABSA-N 1 2 447.608 3.485 40 0 IGABLO CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223411729 557468690 /nfs/dbraw/zinc/46/86/90/557468690.db2.gz UUBRICOUQVRFGO-HSZRJFAPSA-N 1 2 443.975 3.268 40 0 IGABLO Cc1cc(C)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C ZINC000223477255 557476537 /nfs/dbraw/zinc/47/65/37/557476537.db2.gz SHDZUJIXZKVSEA-IBGZPJMESA-N 1 2 429.586 3.039 40 0 IGABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000020150784 557516169 /nfs/dbraw/zinc/51/61/69/557516169.db2.gz OKOQWIQBVSTCSX-LVBDUCALSA-N 1 2 440.521 3.113 40 0 IGABLO CN(c1ccc(Cl)c(C(=O)NCCCn2cc[nH+]c2)c1)S(=O)(=O)c1ccccc1 ZINC000224336684 557593547 /nfs/dbraw/zinc/59/35/47/557593547.db2.gz WTEQBQDRASDUIY-UHFFFAOYSA-N 1 2 432.933 3.182 40 0 IGABLO O=C(c1cc2cccc(Cl)c2oc1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000226040478 557802079 /nfs/dbraw/zinc/80/20/79/557802079.db2.gz SWYLMIRZLIRKHH-UHFFFAOYSA-N 1 2 426.856 3.133 40 0 IGABLO CC(=O)N1CCC(Cc2ccccc2F)(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000257232363 568680057 /nfs/dbraw/zinc/68/00/57/568680057.db2.gz GKOIUONGJFGQFG-OAQYLSRUSA-N 1 2 438.547 3.177 40 0 IGABLO O=C(N1CCOC[C@H](Cc2ccc3[nH+]ccn3c2)C1)C1(c2ccccc2F)CCOCC1 ZINC000257257133 568692250 /nfs/dbraw/zinc/69/22/50/568692250.db2.gz KOEJLLQFBYSZMR-HXUWFJFHSA-N 1 2 437.515 3.239 40 0 IGABLO CCc1cc(CNC(=O)[C@]2(C)CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)on1 ZINC000257276080 568700401 /nfs/dbraw/zinc/70/04/01/568700401.db2.gz NSGOOJQTEWZUAX-XMMPIXPASA-N 1 2 435.528 3.041 40 0 IGABLO COCCc1ncc(CN2CCO[C@H](c3cc(Nc4cccc(C)[nH+]4)cc(C)n3)C2)cn1 ZINC000257282277 568703068 /nfs/dbraw/zinc/70/30/68/568703068.db2.gz OTCLTLHBBSJLFL-QFIPXVFZSA-N 1 2 434.544 3.389 40 0 IGABLO Cc1nc2cc([C@@H]3CC[N@H+](Cc4cccc(F)c4)C3)[nH]n2c(=O)c1CCC(=O)NC1CC1 ZINC000257282510 568703265 /nfs/dbraw/zinc/70/32/65/568703265.db2.gz OTZUKKQFOTYRDW-QGZVFWFLSA-N 1 2 437.519 3.083 40 0 IGABLO Cc1nc2cc([C@@H]3CC[N@@H+](Cc4cccc(F)c4)C3)[nH]n2c(=O)c1CCC(=O)NC1CC1 ZINC000257282510 568703266 /nfs/dbraw/zinc/70/32/66/568703266.db2.gz OTZUKKQFOTYRDW-QGZVFWFLSA-N 1 2 437.519 3.083 40 0 IGABLO C[C@]1(O)C[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257286851 568705392 /nfs/dbraw/zinc/70/53/92/568705392.db2.gz PNIITKMLGSCXFH-RXVVDRJESA-N 1 2 433.480 3.417 40 0 IGABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257286851 568705393 /nfs/dbraw/zinc/70/53/93/568705393.db2.gz PNIITKMLGSCXFH-RXVVDRJESA-N 1 2 433.480 3.417 40 0 IGABLO O=C(c1cccc(Oc2ncccn2)c1)N1CCOC[C@H](Cc2ccc3[nH+]ccn3c2)C1 ZINC000257302641 568712295 /nfs/dbraw/zinc/71/22/95/568712295.db2.gz SDRFSHDVVCDZES-LJQANCHMSA-N 1 2 429.480 3.248 40 0 IGABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CN(CC(=O)N3CCCc4ccccc43)CCO2)n1 ZINC000257322610 568721004 /nfs/dbraw/zinc/72/10/04/568721004.db2.gz WGRQZVVNULAOLK-DEOSSOPVSA-N 1 2 443.551 3.387 40 0 IGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cccc(OC)c1OC ZINC000261362783 568733200 /nfs/dbraw/zinc/73/32/00/568733200.db2.gz FCMVAOUJDVYMHH-NRFANRHFSA-O 1 2 439.517 3.179 40 0 IGABLO COc1ccccc1C[N@H+]1Cc2nc(-c3ccccc3)nn2C[C@H](C(=O)NC2CCC2)C1 ZINC000306141788 568772461 /nfs/dbraw/zinc/77/24/61/568772461.db2.gz WGOBFMCONSIUGD-HXUWFJFHSA-N 1 2 431.540 3.254 40 0 IGABLO COc1ccccc1C[N@@H+]1Cc2nc(-c3ccccc3)nn2C[C@H](C(=O)NC2CCC2)C1 ZINC000306141788 568772462 /nfs/dbraw/zinc/77/24/62/568772462.db2.gz WGOBFMCONSIUGD-HXUWFJFHSA-N 1 2 431.540 3.254 40 0 IGABLO CCc1nc(-c2cncnc2[C@@H]2C[N@H+](Cc3cn(C)c4cc(OC)ccc34)CCO2)no1 ZINC000019693774 569229049 /nfs/dbraw/zinc/22/90/49/569229049.db2.gz IFBXFAXGRZFQQJ-FQEVSTJZSA-N 1 2 434.500 3.163 40 0 IGABLO CCc1nc(-c2cncnc2[C@@H]2C[N@@H+](Cc3cn(C)c4cc(OC)ccc34)CCO2)no1 ZINC000019693774 569229050 /nfs/dbraw/zinc/22/90/50/569229050.db2.gz IFBXFAXGRZFQQJ-FQEVSTJZSA-N 1 2 434.500 3.163 40 0 IGABLO O=C(NCCO)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000019702998 569232627 /nfs/dbraw/zinc/23/26/27/569232627.db2.gz UDGJVMQWAQGJQX-HXUWFJFHSA-N 1 2 448.548 3.140 40 0 IGABLO O=C(NCCO)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000019702998 569232629 /nfs/dbraw/zinc/23/26/29/569232629.db2.gz UDGJVMQWAQGJQX-HXUWFJFHSA-N 1 2 448.548 3.140 40 0 IGABLO COc1cc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCC[C@@H](O)C4)cc3)cc2c(OC)c1OC ZINC000013563081 132350067 /nfs/dbraw/zinc/35/00/67/132350067.db2.gz ZIOWCWXEAWIBON-GOSISDBHSA-N 1 2 439.512 3.127 40 0 IGABLO Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C[C@H]4C(=O)NCC[N@H+]4C)C3)c(-c3ccncc3)c2c1 ZINC000036719075 526103577 /nfs/dbraw/zinc/10/35/77/526103577.db2.gz YTARWYJTBISADJ-UGKGYDQZSA-N 1 2 445.567 3.065 40 0 IGABLO Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C[C@H]4C(=O)NCC[N@@H+]4C)C3)c(-c3ccncc3)c2c1 ZINC000036719075 526103588 /nfs/dbraw/zinc/10/35/88/526103588.db2.gz YTARWYJTBISADJ-UGKGYDQZSA-N 1 2 445.567 3.065 40 0 IGABLO CCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1NC(=O)c1ccccc1F ZINC000408588104 555938578 /nfs/dbraw/zinc/93/85/78/555938578.db2.gz CHLJIYRGGGOVSS-UHFFFAOYSA-N 1 2 446.504 3.042 40 0 IGABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006301682 556084544 /nfs/dbraw/zinc/08/45/44/556084544.db2.gz XBQMDOKQIJSMPD-VPKVUBIPSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006301682 556084546 /nfs/dbraw/zinc/08/45/46/556084546.db2.gz XBQMDOKQIJSMPD-VPKVUBIPSA-N 1 2 436.560 3.132 40 0 IGABLO C[NH+]1CCN(S(=O)(=O)[C@@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000031947023 556528204 /nfs/dbraw/zinc/52/82/04/556528204.db2.gz SIPSZTIUBTVWRZ-DEOSSOPVSA-N 1 2 436.577 3.241 40 0 IGABLO CN(C)CN1c2ccc(Br)cc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635322 556540831 /nfs/dbraw/zinc/54/08/31/556540831.db2.gz QYQPPZIBGJEWJJ-NRFANRHFSA-N 1 2 425.330 3.185 40 0 IGABLO COCCN1c2ccc(Br)cc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635191 556540853 /nfs/dbraw/zinc/54/08/53/556540853.db2.gz XFNNOMBMIPEBQG-OAQYLSRUSA-N 1 2 426.314 3.313 40 0 IGABLO CS(=O)(=O)N(Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000013679706 556556183 /nfs/dbraw/zinc/55/61/83/556556183.db2.gz SCUYEVNEXGJBAV-UHFFFAOYSA-N 1 2 446.960 3.323 40 0 IGABLO CC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000044885672 556675598 /nfs/dbraw/zinc/67/55/98/556675598.db2.gz KWQOTNYMMLIQTK-HXUWFJFHSA-N 1 2 426.542 3.042 40 0 IGABLO Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C[C@H]4C(=O)NCC[N@H+]4C)C3)c(-c3ccncc3)c2c1 ZINC000019220206 556714686 /nfs/dbraw/zinc/71/46/86/556714686.db2.gz YTARWYJTBISADJ-KNQAVFIVSA-N 1 2 445.567 3.065 40 0 IGABLO Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C[C@H]4C(=O)NCC[N@@H+]4C)C3)c(-c3ccncc3)c2c1 ZINC000019220206 556714689 /nfs/dbraw/zinc/71/46/89/556714689.db2.gz YTARWYJTBISADJ-KNQAVFIVSA-N 1 2 445.567 3.065 40 0 IGABLO CC(C)[N@@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)Cc5ccccc5)C4)[nH]n3c(=O)c2C1 ZINC000019448079 556757225 /nfs/dbraw/zinc/75/72/25/556757225.db2.gz OVQKOUKQAFPBAB-IBGZPJMESA-N 1 2 433.556 3.150 40 0 IGABLO CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)Cc5ccccc5)C4)[nH]n3c(=O)c2C1 ZINC000019448079 556757227 /nfs/dbraw/zinc/75/72/27/556757227.db2.gz OVQKOUKQAFPBAB-IBGZPJMESA-N 1 2 433.556 3.150 40 0 IGABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004847487 556823635 /nfs/dbraw/zinc/82/36/35/556823635.db2.gz DEAAXRUGXOEZST-HXUWFJFHSA-N 1 2 426.565 3.222 40 0 IGABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004847487 556823639 /nfs/dbraw/zinc/82/36/39/556823639.db2.gz DEAAXRUGXOEZST-HXUWFJFHSA-N 1 2 426.565 3.222 40 0 IGABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000004848164 556824062 /nfs/dbraw/zinc/82/40/62/556824062.db2.gz VJNGCGGFWNUGOD-HXUWFJFHSA-N 1 2 426.565 3.160 40 0 IGABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000004848164 556824066 /nfs/dbraw/zinc/82/40/66/556824066.db2.gz VJNGCGGFWNUGOD-HXUWFJFHSA-N 1 2 426.565 3.160 40 0 IGABLO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCCC3)c(=O)[nH]c2c1 ZINC000006301870 556832520 /nfs/dbraw/zinc/83/25/20/556832520.db2.gz SCZOZKAWFFINTF-PGRDOPGGSA-N 1 2 436.560 3.276 40 0 IGABLO Cc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000006321323 556832993 /nfs/dbraw/zinc/83/29/93/556832993.db2.gz DGRKTYCQXQIGKH-WQFQCULDSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000006321323 556832997 /nfs/dbraw/zinc/83/29/97/556832997.db2.gz DGRKTYCQXQIGKH-WQFQCULDSA-N 1 2 436.560 3.132 40 0 IGABLO CNC(=O)c1ccc(-c2ccc(CNC(=O)[C@H]3CCCN(c4cccc[nH+]4)C3)cc2)nc1C ZINC000019700585 556859907 /nfs/dbraw/zinc/85/99/07/556859907.db2.gz UJYHUAGBHLBRGH-NRFANRHFSA-N 1 2 443.551 3.344 40 0 IGABLO CNc1nc([C@@H]2CCCN(C(=O)C(C)(C)Oc3cccc(C)c3)C2)nc2c1C[N@H+](C)CC2 ZINC000019710479 556873452 /nfs/dbraw/zinc/87/34/52/556873452.db2.gz MTAHXLNZWCAFBW-GOSISDBHSA-N 1 2 437.588 3.378 40 0 IGABLO CNc1nc([C@@H]2CCCN(C(=O)C(C)(C)Oc3cccc(C)c3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710479 556873455 /nfs/dbraw/zinc/87/34/55/556873455.db2.gz MTAHXLNZWCAFBW-GOSISDBHSA-N 1 2 437.588 3.378 40 0 IGABLO COc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@H+](Cc5ncc[nH]5)C4)nc32)cc1 ZINC000019741671 556884456 /nfs/dbraw/zinc/88/44/56/556884456.db2.gz VGRBQDPLFARWIR-LJQANCHMSA-N 1 2 446.555 3.376 40 0 IGABLO COc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@@H+](Cc5ncc[nH]5)C4)nc32)cc1 ZINC000019741671 556884460 /nfs/dbraw/zinc/88/44/60/556884460.db2.gz VGRBQDPLFARWIR-LJQANCHMSA-N 1 2 446.555 3.376 40 0 IGABLO COc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN(Cc5[nH]cc[nH+]5)C4)nc32)cc1 ZINC000019741671 556884465 /nfs/dbraw/zinc/88/44/65/556884465.db2.gz VGRBQDPLFARWIR-LJQANCHMSA-N 1 2 446.555 3.376 40 0 IGABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)s1 ZINC000019762274 556906706 /nfs/dbraw/zinc/90/67/06/556906706.db2.gz PZCXFYAPMLLCGD-QFIPXVFZSA-N 1 2 438.553 3.046 40 0 IGABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)s1 ZINC000019762274 556906709 /nfs/dbraw/zinc/90/67/09/556906709.db2.gz PZCXFYAPMLLCGD-QFIPXVFZSA-N 1 2 438.553 3.046 40 0 IGABLO COc1ccc(NC(=O)C[C@H]2C(=O)N(CCCn3cc[nH+]c3)c3nc4ccccc4n32)cc1 ZINC000019819475 556922901 /nfs/dbraw/zinc/92/29/01/556922901.db2.gz FSARQRYFRAJNDM-NRFANRHFSA-N 1 2 444.495 3.248 40 0 IGABLO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(C(=O)C[N@@H+](C)Cc3ccccc3F)C2)n1 ZINC000072353787 556928312 /nfs/dbraw/zinc/92/83/12/556928312.db2.gz WFUZCKZTUIAQGC-IBGZPJMESA-N 1 2 448.546 3.406 40 0 IGABLO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(C(=O)C[N@H+](C)Cc3ccccc3F)C2)n1 ZINC000072353787 556928314 /nfs/dbraw/zinc/92/83/14/556928314.db2.gz WFUZCKZTUIAQGC-IBGZPJMESA-N 1 2 448.546 3.406 40 0 IGABLO COc1ccccc1C[C@H](C)Nc1nc(C2CCN(C(C)=O)CC2)nc2c1C[N@H+](C)CC2 ZINC000072372291 556941945 /nfs/dbraw/zinc/94/19/45/556941945.db2.gz ODBPJBAWBUQWSZ-KRWDZBQOSA-N 1 2 437.588 3.242 40 0 IGABLO COc1ccccc1C[C@H](C)Nc1nc(C2CCN(C(C)=O)CC2)nc2c1C[N@@H+](C)CC2 ZINC000072372291 556941948 /nfs/dbraw/zinc/94/19/48/556941948.db2.gz ODBPJBAWBUQWSZ-KRWDZBQOSA-N 1 2 437.588 3.242 40 0 IGABLO CC[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000020104837 556981592 /nfs/dbraw/zinc/98/15/92/556981592.db2.gz HDGZTCZPWSDUCE-IBGZPJMESA-N 1 2 446.960 3.387 40 0 IGABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N2 ZINC000020799964 557018529 /nfs/dbraw/zinc/01/85/29/557018529.db2.gz XUAPUBCVXXXJTR-NSHDSACASA-N 1 2 435.315 3.420 40 0 IGABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000057653470 557256184 /nfs/dbraw/zinc/25/61/84/557256184.db2.gz YPJPIUMVFNEGKH-IBGZPJMESA-N 1 2 426.565 3.304 40 0 IGABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000057653470 557256186 /nfs/dbraw/zinc/25/61/86/557256186.db2.gz YPJPIUMVFNEGKH-IBGZPJMESA-N 1 2 426.565 3.304 40 0 IGABLO CC(C)C[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057670484 557256579 /nfs/dbraw/zinc/25/65/79/557256579.db2.gz RWLAXZHITDBUIU-MJGOQNOKSA-N 1 2 441.605 3.371 40 0 IGABLO CCc1nnc(NC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)s1 ZINC000013561715 557351964 /nfs/dbraw/zinc/35/19/64/557351964.db2.gz GDXDIISIBWTCEO-UHFFFAOYSA-N 1 2 439.467 3.140 40 0 IGABLO CCCN1CC[N@H+](Cc2cnc(OC)nc2)[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351577 557385881 /nfs/dbraw/zinc/38/58/81/557385881.db2.gz OYWZBPQUGFBFQI-HSZRJFAPSA-N 1 2 431.540 3.213 40 0 IGABLO CCCN1CC[N@@H+](Cc2cnc(OC)nc2)[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351577 557385886 /nfs/dbraw/zinc/38/58/86/557385886.db2.gz OYWZBPQUGFBFQI-HSZRJFAPSA-N 1 2 431.540 3.213 40 0 IGABLO CC1(C)CCc2cc(S(=O)(=O)NCc3ccccc3C[NH+]3CCOCC3)ccc2O1 ZINC000223707457 557504406 /nfs/dbraw/zinc/50/44/06/557504406.db2.gz WBMCUWXRQNAZIW-UHFFFAOYSA-N 1 2 430.570 3.101 40 0 IGABLO COc1cc(OC)c(OC)cc1CN1CC[NH+](Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000019889703 557509736 /nfs/dbraw/zinc/50/97/36/557509736.db2.gz PIXAGPMAFRUFPY-UHFFFAOYSA-N 1 2 446.544 3.056 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCc4ccccc4C3)cc2c1 ZINC000019973245 557511628 /nfs/dbraw/zinc/51/16/28/557511628.db2.gz DOTXRAZSUSMMDO-JOCHJYFZSA-N 1 2 444.539 3.426 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCc4ccccc4C3)cc2c1 ZINC000019973245 557511630 /nfs/dbraw/zinc/51/16/30/557511630.db2.gz DOTXRAZSUSMMDO-JOCHJYFZSA-N 1 2 444.539 3.426 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCc4ccccc4C3)cc2c1 ZINC000019973246 557511682 /nfs/dbraw/zinc/51/16/82/557511682.db2.gz DOTXRAZSUSMMDO-QFIPXVFZSA-N 1 2 444.539 3.426 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCc4ccccc4C3)cc2c1 ZINC000019973246 557511684 /nfs/dbraw/zinc/51/16/84/557511684.db2.gz DOTXRAZSUSMMDO-QFIPXVFZSA-N 1 2 444.539 3.426 40 0 IGABLO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCn3cc[nH+]c3)c(Cl)c2)cc1 ZINC000224243021 557580147 /nfs/dbraw/zinc/58/01/47/557580147.db2.gz WYVNHVHRSXJAOE-UHFFFAOYSA-N 1 2 446.960 3.490 40 0 IGABLO COc1cccc(-c2cnc(CCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)o2)c1 ZINC000224849441 557658542 /nfs/dbraw/zinc/65/85/42/557658542.db2.gz WBCBOLDBPMQKDN-UHFFFAOYSA-N 1 2 449.507 3.356 40 0 IGABLO Cc1ccccc1-c1noc(CCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000225816567 557780364 /nfs/dbraw/zinc/78/03/64/557780364.db2.gz WOSIYSMCACIANC-UHFFFAOYSA-N 1 2 434.496 3.051 40 0 IGABLO CC(C)C(=O)N[C@H]1CCN(C(=O)CCCn2c3ccccc3[nH+]c2C(C)C)CC[C@@H]1O ZINC000257227572 568677866 /nfs/dbraw/zinc/67/78/66/568677866.db2.gz FPYPEIVKIMHGRJ-FPOVZHCZSA-N 1 2 428.577 3.064 40 0 IGABLO COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)Cn4cc[nH+]c4)CC3)CO[C@H]21 ZINC000257255875 568691360 /nfs/dbraw/zinc/69/13/60/568691360.db2.gz KJGBGRBMOMNOAG-GHTZIAJQSA-N 1 2 425.529 3.449 40 0 IGABLO CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CC[N@@H+]2Cc2ccccc2N2CCCCC2)c1 ZINC000257259087 568692576 /nfs/dbraw/zinc/69/25/76/568692576.db2.gz KWTRONYSPNMFPV-VWLOTQADSA-N 1 2 434.584 3.442 40 0 IGABLO CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CC[N@H+]2Cc2ccccc2N2CCCCC2)c1 ZINC000257259087 568692578 /nfs/dbraw/zinc/69/25/78/568692578.db2.gz KWTRONYSPNMFPV-VWLOTQADSA-N 1 2 434.584 3.442 40 0 IGABLO CCOc1cccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC ZINC000261361674 568732958 /nfs/dbraw/zinc/73/29/58/568732958.db2.gz ALUXONCJMXFEFY-NRFANRHFSA-O 1 2 439.517 3.179 40 0 IGABLO CC(C)n1cc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccc(F)nc4)ccc2S3(=O)=O)cn1 ZINC000306137435 568769850 /nfs/dbraw/zinc/76/98/50/568769850.db2.gz QWGKFMMAQOXXMG-CTNGQTDRSA-N 1 2 426.517 3.420 40 0 IGABLO CC(C)n1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccc(F)nc4)ccc2S3(=O)=O)cn1 ZINC000306137435 568769851 /nfs/dbraw/zinc/76/98/51/568769851.db2.gz QWGKFMMAQOXXMG-CTNGQTDRSA-N 1 2 426.517 3.420 40 0 IGABLO Cc1nc(Nc2cccc(Cl)c2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]1 ZINC000329000061 568808896 /nfs/dbraw/zinc/80/88/96/568808896.db2.gz JYUYBOMTAJQJSS-UHFFFAOYSA-N 1 2 429.933 3.392 40 0 IGABLO Cc1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329000061 568808897 /nfs/dbraw/zinc/80/88/97/568808897.db2.gz JYUYBOMTAJQJSS-UHFFFAOYSA-N 1 2 429.933 3.392 40 0 IGABLO Cc1nc([C@H]2CCN(C(=O)CCCn3c4ccccc4[nH+]c3C(C)C)C2)ncc1C(N)=O ZINC000019758118 569237397 /nfs/dbraw/zinc/23/73/97/569237397.db2.gz KRPYTAJHNHVSAT-KRWDZBQOSA-N 1 2 434.544 3.153 40 0 IGABLO Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCC[N@@H+]2CC(=O)NC2CCCCC2)n1 ZINC000019766673 569239482 /nfs/dbraw/zinc/23/94/82/569239482.db2.gz WGIKAOKLBWPQFH-QFIPXVFZSA-N 1 2 435.572 3.301 40 0 IGABLO Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCC[N@H+]2CC(=O)NC2CCCCC2)n1 ZINC000019766673 569239483 /nfs/dbraw/zinc/23/94/83/569239483.db2.gz WGIKAOKLBWPQFH-QFIPXVFZSA-N 1 2 435.572 3.301 40 0 IGABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccc3c(c2)OCO3)Oc2ccccc2N1Cc1ccccn1 ZINC000096111861 291363519 /nfs/dbraw/zinc/36/35/19/291363519.db2.gz ZAIHFSRGFBBZTN-FPOVZHCZSA-N 1 2 429.476 3.379 40 0 biogenic,in-vitro IGABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccc3c(c2)OCO3)Oc2ccccc2N1Cc1ccccn1 ZINC000096111861 291363522 /nfs/dbraw/zinc/36/35/22/291363522.db2.gz ZAIHFSRGFBBZTN-FPOVZHCZSA-N 1 2 429.476 3.379 40 0 biogenic,in-vitro IGABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000012496685 520947938 /nfs/dbraw/zinc/94/79/38/520947938.db2.gz VOLZWKVHVWQOJR-RQXXJAGISA-N 1 2 430.501 3.439 40 0 IGABLO CCOc1ccc2c(c1)c(=O)c(C(=O)N1CC[NH+](C/C=C/c3ccccc3)CC1)cn2C ZINC000022237413 521291761 /nfs/dbraw/zinc/29/17/61/521291761.db2.gz FWJMDNNALMOJTH-JXMROGBWSA-N 1 2 431.536 3.408 40 0 IGABLO CC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000022528340 523786526 /nfs/dbraw/zinc/78/65/26/523786526.db2.gz FDWFWPIEVPCONL-OAQYLSRUSA-N 1 2 440.569 3.350 40 0 IGABLO Cc1ccc(N(CCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)cc1C ZINC000020492986 524896895 /nfs/dbraw/zinc/89/68/95/524896895.db2.gz YCROBMLBTAGUFL-UHFFFAOYSA-N 1 2 440.569 3.352 40 0 IGABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2Cl)cc1 ZINC000020482150 525601548 /nfs/dbraw/zinc/60/15/48/525601548.db2.gz PGMTYDZQCVTCEM-UHFFFAOYSA-N 1 2 432.933 3.466 40 0 IGABLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)ncc1C(=O)N1CCCCC1 ZINC000072345577 527045846 /nfs/dbraw/zinc/04/58/46/527045846.db2.gz XVMIRHUELDNZPJ-GOSISDBHSA-N 1 2 439.535 3.368 40 0 IGABLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)ncc1C(=O)N1CCCCC1 ZINC000072345577 527045856 /nfs/dbraw/zinc/04/58/56/527045856.db2.gz XVMIRHUELDNZPJ-GOSISDBHSA-N 1 2 439.535 3.368 40 0 IGABLO O=C(Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)N1CCCCC1 ZINC000408597553 555965033 /nfs/dbraw/zinc/96/50/33/555965033.db2.gz ZEIIAACELARQIR-UHFFFAOYSA-N 1 2 442.585 3.211 40 0 IGABLO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C(=O)N1CCCCC1 ZINC000408635568 556013370 /nfs/dbraw/zinc/01/33/70/556013370.db2.gz FBBJEMNOQZQNQL-UHFFFAOYSA-N 1 2 441.597 3.128 40 0 IGABLO O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000011412857 556340979 /nfs/dbraw/zinc/34/09/79/556340979.db2.gz FWZMIIXNGAARNV-UHFFFAOYSA-N 1 2 437.471 3.486 40 0 IGABLO Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1S(=O)(=O)N1CCCCC1 ZINC000030870904 556513497 /nfs/dbraw/zinc/51/34/97/556513497.db2.gz NKBNNJSQAWQERW-UHFFFAOYSA-N 1 2 438.553 3.285 40 0 IGABLO CN(c1ccc2sc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c1)S(C)(=O)=O ZINC000013609812 556534414 /nfs/dbraw/zinc/53/44/14/556534414.db2.gz LJMDZRAYPFIAIO-UHFFFAOYSA-N 1 2 443.594 3.255 40 0 IGABLO O=C1S/C(=C2\c3ccccc3N(CN3CCCCC3)C2=O)C(=O)N1C[NH+]1CCCCC1 ZINC000016941084 556649284 /nfs/dbraw/zinc/64/92/84/556649284.db2.gz GPRZOVKRKLJHLS-FMQUCBEESA-N 1 2 440.569 3.327 40 0 IGABLO CC(C)[N@@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)Cc5ccccc5)C4)[nH]n3c(=O)c2C1 ZINC000019448077 556756958 /nfs/dbraw/zinc/75/69/58/556756958.db2.gz OVQKOUKQAFPBAB-LJQANCHMSA-N 1 2 433.556 3.150 40 0 IGABLO CC(C)[N@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)Cc5ccccc5)C4)[nH]n3c(=O)c2C1 ZINC000019448077 556756961 /nfs/dbraw/zinc/75/69/61/556756961.db2.gz OVQKOUKQAFPBAB-LJQANCHMSA-N 1 2 433.556 3.150 40 0 IGABLO CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC000019448979 556758975 /nfs/dbraw/zinc/75/89/75/556758975.db2.gz FKZHFJAWMPVWHI-FQRUVTKNSA-N 1 2 445.567 3.492 40 0 IGABLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2c(nc(C(C)C)nc2N2CCOCC2)C1 ZINC000019453673 556764249 /nfs/dbraw/zinc/76/42/49/556764249.db2.gz SKPDCVZEDKMBFO-UHFFFAOYSA-N 1 2 442.560 3.021 40 0 IGABLO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2c(nc(C(C)C)nc2N2CCOCC2)C1 ZINC000019453673 556764252 /nfs/dbraw/zinc/76/42/52/556764252.db2.gz SKPDCVZEDKMBFO-UHFFFAOYSA-N 1 2 442.560 3.021 40 0 IGABLO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)C[N@H+](Cc2cnc(C(C)C)nc2)CCO1 ZINC000019454086 556764738 /nfs/dbraw/zinc/76/47/38/556764738.db2.gz RIDZKFKQIWOJKM-SANMLTNESA-N 1 2 445.567 3.222 40 0 IGABLO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)C[N@@H+](Cc2cnc(C(C)C)nc2)CCO1 ZINC000019454086 556764739 /nfs/dbraw/zinc/76/47/39/556764739.db2.gz RIDZKFKQIWOJKM-SANMLTNESA-N 1 2 445.567 3.222 40 0 IGABLO CCCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000019502185 556773256 /nfs/dbraw/zinc/77/32/56/556773256.db2.gz BZTWKTRXVDPWHM-UKDJSQQHSA-N 1 2 436.508 3.334 40 0 IGABLO COc1ccc2cc(C[N@@H+]3CCc4c(nc(-c5ccncc5)[nH]c4=O)C3)c(OC)nc2c1 ZINC000019563977 556804564 /nfs/dbraw/zinc/80/45/64/556804564.db2.gz PYZRPWIVZULOKK-UHFFFAOYSA-N 1 2 429.480 3.368 40 0 IGABLO COc1ccc2cc(C[N@H+]3CCc4c(nc(-c5ccncc5)[nH]c4=O)C3)c(OC)nc2c1 ZINC000019563977 556804566 /nfs/dbraw/zinc/80/45/66/556804566.db2.gz PYZRPWIVZULOKK-UHFFFAOYSA-N 1 2 429.480 3.368 40 0 IGABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004848167 556824039 /nfs/dbraw/zinc/82/40/39/556824039.db2.gz QJHNPNSJRCFMRO-FQEVSTJZSA-N 1 2 426.565 3.160 40 0 IGABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004848167 556824042 /nfs/dbraw/zinc/82/40/42/556824042.db2.gz QJHNPNSJRCFMRO-FQEVSTJZSA-N 1 2 426.565 3.160 40 0 IGABLO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006301872 556832393 /nfs/dbraw/zinc/83/23/93/556832393.db2.gz XBQMDOKQIJSMPD-LZFQIVBZSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006301872 556832396 /nfs/dbraw/zinc/83/23/96/556832396.db2.gz XBQMDOKQIJSMPD-LZFQIVBZSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(C)CC3)c(=O)[nH]c2cc1C ZINC000006321112 556832898 /nfs/dbraw/zinc/83/28/98/556832898.db2.gz KWMRSHASKDXDQL-KNQAVFIVSA-N 1 2 436.560 3.132 40 0 IGABLO CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000069711750 556867771 /nfs/dbraw/zinc/86/77/71/556867771.db2.gz FPALJIKDFFLSAT-QFIPXVFZSA-N 1 2 429.586 3.140 40 0 IGABLO Cc1ccc2c(cc(C(=O)N3CCC[C@@H]3c3ccc(C(=O)N4CC[NH+](C)CC4)cn3)n2C)c1 ZINC000019708187 556868327 /nfs/dbraw/zinc/86/83/27/556868327.db2.gz UMGUZCWOPHSQIN-HSZRJFAPSA-N 1 2 445.567 3.247 40 0 IGABLO CCn1c(C)[nH+]c2cc(NC(=O)c3cccn(CC(=O)NC4CCCCC4)c3=O)ccc21 ZINC000019750102 556894414 /nfs/dbraw/zinc/89/44/14/556894414.db2.gz RHCGEVLORZEACF-UHFFFAOYSA-N 1 2 435.528 3.228 40 0 IGABLO CCn1c(C)[nH+]c2cc(NC(=O)Cn3cccc(C(=O)NCc4ccccc4)c3=O)ccc21 ZINC000019750772 556894724 /nfs/dbraw/zinc/89/47/24/556894724.db2.gz NBLHLVAAHPUJDM-UHFFFAOYSA-N 1 2 443.507 3.095 40 0 IGABLO CC(C)NC(=O)c1cc([C@H]2CCN(C(=O)C[N@H+](C)Cc3ccccn3)C2)nc2ccccc21 ZINC000019756931 556901188 /nfs/dbraw/zinc/90/11/88/556901188.db2.gz AGCRUURWTQUGIK-IBGZPJMESA-N 1 2 445.567 3.216 40 0 IGABLO CC(C)NC(=O)c1cc([C@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccn3)C2)nc2ccccc21 ZINC000019756931 556901191 /nfs/dbraw/zinc/90/11/91/556901191.db2.gz AGCRUURWTQUGIK-IBGZPJMESA-N 1 2 445.567 3.216 40 0 IGABLO Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000019931492 556948859 /nfs/dbraw/zinc/94/88/59/556948859.db2.gz INRUWXFLPVSGCF-INIZCTEOSA-N 1 2 446.960 3.305 40 0 IGABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N2 ZINC000020799960 557018476 /nfs/dbraw/zinc/01/84/76/557018476.db2.gz XUAPUBCVXXXJTR-LLVKDONJSA-N 1 2 435.315 3.420 40 0 IGABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)Cc3ccccn3)C[C@@]23CCCN(CC2CC2)C3=O)c1 ZINC000585107533 557038985 /nfs/dbraw/zinc/03/89/85/557038985.db2.gz ZGCLPRGVIWMWCQ-BWKNWUBXSA-N 1 2 435.572 3.046 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCCC3)cc2c1 ZINC000006198052 557149619 /nfs/dbraw/zinc/14/96/19/557149619.db2.gz HHRSXTWDWSKPNM-KNQAVFIVSA-N 1 2 436.560 3.221 40 0 IGABLO Cc1ccsc1C(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251432 557188655 /nfs/dbraw/zinc/18/86/55/557188655.db2.gz GCBHMOLRSPBJNI-CYFREDJKSA-N 1 2 438.597 3.337 40 0 IGABLO CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000025285959 557202442 /nfs/dbraw/zinc/20/24/42/557202442.db2.gz JLPCBCLXBINFPT-UHFFFAOYSA-N 1 2 449.576 3.470 40 0 IGABLO COC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000012496854 557245127 /nfs/dbraw/zinc/24/51/27/557245127.db2.gz XRDFBFRVSINNEM-DLRJPAPCSA-N 1 2 448.541 3.002 40 0 IGABLO COC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000100421460 557260533 /nfs/dbraw/zinc/26/05/33/557260533.db2.gz FFKNXVBTRJYGAF-XHOYROJHSA-N 1 2 438.549 3.110 40 0 IGABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3ccc(Br)cc3)C1=O)CC2 ZINC000102332154 557301117 /nfs/dbraw/zinc/30/11/17/557301117.db2.gz GSCMCNYQUINCCK-KRWDZBQOSA-N 1 2 445.313 3.157 40 0 IGABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3ccc(Br)cc3)C1=O)CC2 ZINC000102332154 557301121 /nfs/dbraw/zinc/30/11/21/557301121.db2.gz GSCMCNYQUINCCK-KRWDZBQOSA-N 1 2 445.313 3.157 40 0 IGABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498463 557327830 /nfs/dbraw/zinc/32/78/30/557327830.db2.gz IIZWCEYVYHDABS-OAQYLSRUSA-N 1 2 440.592 3.414 40 0 IGABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498463 557327833 /nfs/dbraw/zinc/32/78/33/557327833.db2.gz IIZWCEYVYHDABS-OAQYLSRUSA-N 1 2 440.592 3.414 40 0 IGABLO Cc1cc2cc(C[N@@H+](CCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498932 557328217 /nfs/dbraw/zinc/32/82/17/557328217.db2.gz IVJDXTDIZSESNO-JOCHJYFZSA-N 1 2 438.576 3.438 40 0 IGABLO Cc1cc2cc(C[N@H+](CCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498932 557328221 /nfs/dbraw/zinc/32/82/21/557328221.db2.gz IVJDXTDIZSESNO-JOCHJYFZSA-N 1 2 438.576 3.438 40 0 IGABLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@@H](c4nnc(SC)n4C)C3)sc2c1 ZINC000013565144 557342020 /nfs/dbraw/zinc/34/20/20/557342020.db2.gz PAXQPPFFQQCAGE-CYBMUJFWSA-N 1 2 446.602 3.364 40 0 IGABLO CCOc1ccc2nc(NC(=O)C[N@H+]3CCC[C@@H](c4nnc(SC)n4C)C3)sc2c1 ZINC000013565144 557342022 /nfs/dbraw/zinc/34/20/22/557342022.db2.gz PAXQPPFFQQCAGE-CYBMUJFWSA-N 1 2 446.602 3.364 40 0 IGABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCc1cccc2ccccc21 ZINC000222881184 557397388 /nfs/dbraw/zinc/39/73/88/557397388.db2.gz ZNNGKKMJJJLBHT-UHFFFAOYSA-N 1 2 437.565 3.014 40 0 IGABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1CC[NH+]1CCOCC1 ZINC000223135203 557437140 /nfs/dbraw/zinc/43/71/40/557437140.db2.gz UZNSZGWXKWGSTK-YADHBBJMSA-N 1 2 425.602 3.303 40 0 IGABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1CC[NH+]1CCOCC1 ZINC000223150227 557439233 /nfs/dbraw/zinc/43/92/33/557439233.db2.gz MHRMBGWCYOUILD-GOTSBHOMSA-N 1 2 433.581 3.177 40 0 IGABLO CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223483833 557477781 /nfs/dbraw/zinc/47/77/81/557477781.db2.gz AQHWJCQOPMWRCJ-DEOSSOPVSA-N 1 2 441.547 3.144 40 0 IGABLO CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223662314 557499061 /nfs/dbraw/zinc/49/90/61/557499061.db2.gz TUOOIGSRGYNUSF-DHIUTWEWSA-N 1 2 449.580 3.474 40 0 IGABLO CCN(Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224458681 557608415 /nfs/dbraw/zinc/60/84/15/557608415.db2.gz JYLXMFXSRVBPER-UHFFFAOYSA-N 1 2 440.569 3.222 40 0 IGABLO OCc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)o1 ZINC000015674250 560230969 /nfs/dbraw/zinc/23/09/69/560230969.db2.gz BUHXKOWLYPKWPF-WBMJQRKESA-N 1 2 425.363 3.028 40 0 biogenic,in-vitro IGABLO OCc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)o1 ZINC000015674250 560230971 /nfs/dbraw/zinc/23/09/71/560230971.db2.gz BUHXKOWLYPKWPF-WBMJQRKESA-N 1 2 425.363 3.028 40 0 biogenic,in-vitro IGABLO c1ccc2sc(C3CC[NH+](Cc4nnnn4Cc4ccc5c(c4)OCO5)CC3)nc2c1 ZINC000008677293 562961454 /nfs/dbraw/zinc/96/14/54/562961454.db2.gz QQCLDHVMRNBILX-UHFFFAOYSA-N 1 2 434.525 3.439 40 0 IGABLO c1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000019372839 563022714 /nfs/dbraw/zinc/02/27/14/563022714.db2.gz IRXWUTZQXNNIHS-DEOSSOPVSA-N 1 2 425.540 3.024 40 0 IGABLO Cn1cc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000257215082 568672068 /nfs/dbraw/zinc/67/20/68/568672068.db2.gz COQCSZNXBVUEAU-FQEVSTJZSA-N 1 2 435.450 3.357 40 0 IGABLO Cn1cc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000257215082 568672071 /nfs/dbraw/zinc/67/20/71/568672071.db2.gz COQCSZNXBVUEAU-FQEVSTJZSA-N 1 2 435.450 3.357 40 0 IGABLO COc1cccc(O[C@H]2CCN(C(=O)COc3cc(C)[nH+]c4ccccc43)CC[C@@H]2O)c1 ZINC000257218513 568673758 /nfs/dbraw/zinc/67/37/58/568673758.db2.gz DDKDDCZOQHRWMG-GOTSBHOMSA-N 1 2 436.508 3.362 40 0 IGABLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000257267851 568696668 /nfs/dbraw/zinc/69/66/68/568696668.db2.gz MJADYDNRAOSIFL-QHCPKHFHSA-N 1 2 446.979 3.424 40 0 IGABLO Cc1n[nH]cc1C[N@H+]1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000257267851 568696672 /nfs/dbraw/zinc/69/66/72/568696672.db2.gz MJADYDNRAOSIFL-QHCPKHFHSA-N 1 2 446.979 3.424 40 0 IGABLO COc1ccc2c(c1)C=C(C(=O)N1CCO[C@@H](c3cccc(-c4ccc(N)[nH+]c4)n3)C1)CO2 ZINC000257299977 568711102 /nfs/dbraw/zinc/71/11/02/568711102.db2.gz RSJJCLFWLOGJME-HSZRJFAPSA-N 1 2 444.491 3.110 40 0 IGABLO O=C(C[NH+]1Cc2ccccc2C1)N1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 ZINC000257320840 568720194 /nfs/dbraw/zinc/72/01/94/568720194.db2.gz VYUYBDROBPGTEU-JOCHJYFZSA-N 1 2 433.487 3.275 40 0 IGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)n(C)n2)C1 ZINC000257327160 568723171 /nfs/dbraw/zinc/72/31/71/568723171.db2.gz XAGFVTVRLFPUFU-JOCHJYFZSA-N 1 2 429.952 3.310 40 0 IGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)n(C)n2)C1 ZINC000257327160 568723172 /nfs/dbraw/zinc/72/31/72/568723172.db2.gz XAGFVTVRLFPUFU-JOCHJYFZSA-N 1 2 429.952 3.310 40 0 IGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(OC)c(OC)c1 ZINC000261362058 568733205 /nfs/dbraw/zinc/73/32/05/568733205.db2.gz BYHYDOGVRMWMAS-NRFANRHFSA-O 1 2 439.517 3.179 40 0 IGABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)CC4CC4)C[C@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306124423 568763197 /nfs/dbraw/zinc/76/31/97/568763197.db2.gz BPMHBERLCICYIO-CVDCTZTESA-N 1 2 441.601 3.374 40 0 IGABLO O[C@H](COc1ccc(Cl)cc1Cl)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000001473402 568788473 /nfs/dbraw/zinc/78/84/73/568788473.db2.gz CUECETIKZWRUNQ-KRWDZBQOSA-N 1 2 439.339 3.280 40 0 IGABLO COC(=O)[C@]1(CCSC)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000231643296 569186147 /nfs/dbraw/zinc/18/61/47/569186147.db2.gz FFKNXVBTRJYGAF-DBYOASNMSA-N 1 2 438.549 3.110 40 0 IGABLO COC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000245230730 569205491 /nfs/dbraw/zinc/20/54/91/569205491.db2.gz XRDFBFRVSINNEM-ZGPJWRFFSA-N 1 2 448.541 3.002 40 0 IGABLO CC(C)Oc1cccc(C[N@@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1 ZINC000019692730 569228271 /nfs/dbraw/zinc/22/82/71/569228271.db2.gz CUIXHZRSEIWKJI-JOCHJYFZSA-N 1 2 434.544 3.360 40 0 IGABLO CC(C)Oc1cccc(C[N@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1 ZINC000019692730 569228272 /nfs/dbraw/zinc/22/82/72/569228272.db2.gz CUIXHZRSEIWKJI-JOCHJYFZSA-N 1 2 434.544 3.360 40 0 IGABLO O=C(NCCO)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2cccc3ncccc23)CCO1 ZINC000019703319 569233038 /nfs/dbraw/zinc/23/30/38/569233038.db2.gz GJDDEPVKZNZWQE-HXUWFJFHSA-N 1 2 448.548 3.140 40 0 IGABLO O=C(NCCO)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2cccc3ncccc23)CCO1 ZINC000019703319 569233039 /nfs/dbraw/zinc/23/30/39/569233039.db2.gz GJDDEPVKZNZWQE-HXUWFJFHSA-N 1 2 448.548 3.140 40 0 IGABLO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3nccnc3-c3ccc(C(N)=O)cc3)C1)CCC2 ZINC000019693458 569326668 /nfs/dbraw/zinc/32/66/68/569326668.db2.gz GCTBVLAPIYOPBG-HSZRJFAPSA-N 1 2 444.535 3.313 40 0 IGABLO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3nccnc3-c3ccc(C(N)=O)cc3)C1)CCC2 ZINC000019693458 569326670 /nfs/dbraw/zinc/32/66/70/569326670.db2.gz GCTBVLAPIYOPBG-HSZRJFAPSA-N 1 2 444.535 3.313 40 0 IGABLO COc1c(C)cccc1C[N@@H+]1CCO[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 ZINC000019762366 569328875 /nfs/dbraw/zinc/32/88/75/569328875.db2.gz NJPOAEOOAASDNX-XMMPIXPASA-N 1 2 449.551 3.190 40 0 IGABLO COc1c(C)cccc1C[N@H+]1CCO[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 ZINC000019762366 569328876 /nfs/dbraw/zinc/32/88/76/569328876.db2.gz NJPOAEOOAASDNX-XMMPIXPASA-N 1 2 449.551 3.190 40 0 IGABLO CC(C)[C@H](CO)Nc1nc(NC[C@@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329070006 569583396 /nfs/dbraw/zinc/58/33/96/569583396.db2.gz ZCMOTVOLWNGQDE-WMZOPIPTSA-N 1 2 440.466 4.062 40 0 IGABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CC[N@@H+]21 ZINC000253399421 291354400 /nfs/dbraw/zinc/35/44/00/291354400.db2.gz JEGZSBUQEHHKMX-NRFANRHFSA-N 1 2 439.535 3.348 40 0 biogenic,in-vitro IGABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CC[N@H+]21 ZINC000253399421 291354406 /nfs/dbraw/zinc/35/44/06/291354406.db2.gz JEGZSBUQEHHKMX-NRFANRHFSA-N 1 2 439.535 3.348 40 0 biogenic,in-vitro IGABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012469539 525478102 /nfs/dbraw/zinc/47/81/02/525478102.db2.gz CCVRAWPWGXLBRB-UZUQRXQVSA-N 1 2 444.539 3.393 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012469539 525478113 /nfs/dbraw/zinc/47/81/13/525478113.db2.gz CCVRAWPWGXLBRB-UZUQRXQVSA-N 1 2 444.539 3.393 40 0 IGABLO Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1C ZINC000012717230 526234044 /nfs/dbraw/zinc/23/40/44/526234044.db2.gz OLLOJOVZGDEESM-QOEFQVSFSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1C ZINC000012717230 526234052 /nfs/dbraw/zinc/23/40/52/526234052.db2.gz OLLOJOVZGDEESM-QOEFQVSFSA-N 1 2 436.560 3.132 40 0 IGABLO O=C(NCc1ccccc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464534 526733680 /nfs/dbraw/zinc/73/36/80/526733680.db2.gz JINBLVBEXMXBBY-SFHVURJKSA-N 1 2 444.451 3.198 40 0 biogenic,in-vitro IGABLO O=C(NCc1ccccc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464534 526733684 /nfs/dbraw/zinc/73/36/84/526733684.db2.gz JINBLVBEXMXBBY-SFHVURJKSA-N 1 2 444.451 3.198 40 0 biogenic,in-vitro IGABLO CCOc1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)[NH+]=C3N=CNN32)cc1OC ZINC000408703083 556107564 /nfs/dbraw/zinc/10/75/64/556107564.db2.gz DONHGXMPAWXVEG-NRFANRHFSA-N 1 2 435.484 3.274 40 0 IGABLO Cc1ccc(-c2noc(CCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000029632573 556479407 /nfs/dbraw/zinc/47/94/07/556479407.db2.gz MWEMPPDXXFTDJH-UHFFFAOYSA-N 1 2 434.496 3.051 40 0 IGABLO O=C1S/C(=C2/c3ccccc3N(CN3CCCCC3)C2=O)C(=O)N1C[NH+]1CCCCC1 ZINC000031771893 556526159 /nfs/dbraw/zinc/52/61/59/556526159.db2.gz GPRZOVKRKLJHLS-VXPUYCOJSA-N 1 2 440.569 3.327 40 0 IGABLO CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000038772251 556619309 /nfs/dbraw/zinc/61/93/09/556619309.db2.gz XCNFBJQIRHWPOW-FQEVSTJZSA-N 1 2 446.960 3.387 40 0 IGABLO CC(C)(C)c1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)cc1 ZINC000038772491 556619500 /nfs/dbraw/zinc/61/95/00/556619500.db2.gz RDSUZSNZQSDONC-UHFFFAOYSA-N 1 2 440.569 3.252 40 0 IGABLO CC[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000044885669 556675560 /nfs/dbraw/zinc/67/55/60/556675560.db2.gz KWQOTNYMMLIQTK-FQEVSTJZSA-N 1 2 426.542 3.042 40 0 IGABLO CC(C)(C)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019081090 556695777 /nfs/dbraw/zinc/69/57/77/556695777.db2.gz YXZLPHFXSNHKAI-UHFFFAOYSA-N 1 2 425.577 3.488 40 0 IGABLO CC(C)(C)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019081090 556695780 /nfs/dbraw/zinc/69/57/80/556695780.db2.gz YXZLPHFXSNHKAI-UHFFFAOYSA-N 1 2 425.577 3.488 40 0 IGABLO O=C(Cn1cccnc1=O)N1CCC[C@H](c2[nH+]c(Nc3ccccc3)n3ccsc23)C1 ZINC000019373381 556750499 /nfs/dbraw/zinc/75/04/99/556750499.db2.gz XFCCMKKQPQIFOP-INIZCTEOSA-N 1 2 434.525 3.102 40 0 IGABLO CCC(CC)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)c5ccncc5)CC4)[nH]n3c(=O)c2C1 ZINC000019500293 556772454 /nfs/dbraw/zinc/77/24/54/556772454.db2.gz KFAQNJNYPXCEHD-UHFFFAOYSA-N 1 2 448.571 3.396 40 0 IGABLO CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)c5ccncc5)CC4)[nH]n3c(=O)c2C1 ZINC000019500293 556772457 /nfs/dbraw/zinc/77/24/57/556772457.db2.gz KFAQNJNYPXCEHD-UHFFFAOYSA-N 1 2 448.571 3.396 40 0 IGABLO CN1C[C@H](C(=O)N2CCC[C@@H](c3[nH+]c(Nc4cccc(F)c4)n4ccsc34)C2)CC1=O ZINC000019587231 556823739 /nfs/dbraw/zinc/82/37/39/556823739.db2.gz XQHRZNLLMLIQTB-HUUCEWRRSA-N 1 2 441.532 3.463 40 0 IGABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCCC3)c(=O)[nH]c2c1 ZINC000006301678 556832408 /nfs/dbraw/zinc/83/24/08/556832408.db2.gz SCZOZKAWFFINTF-AVRDEDQJSA-N 1 2 436.560 3.276 40 0 IGABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1CCOC)c1cc2ccc(C)cc2[nH]c1=O ZINC000008828576 556849569 /nfs/dbraw/zinc/84/95/69/556849569.db2.gz MTRXAYRJYDQNFN-QFIPXVFZSA-N 1 2 432.528 3.493 40 0 IGABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1CCOC)c1cc2ccc(C)cc2[nH]c1=O ZINC000008828576 556849570 /nfs/dbraw/zinc/84/95/70/556849570.db2.gz MTRXAYRJYDQNFN-QFIPXVFZSA-N 1 2 432.528 3.493 40 0 IGABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CC[N@H+](Cc1cn(C)c3ccc(F)cc13)C2 ZINC000019707447 556867253 /nfs/dbraw/zinc/86/72/53/556867253.db2.gz FTVBUCLFVANFJM-QFIPXVFZSA-N 1 2 436.535 3.391 40 0 IGABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CC[N@@H+](Cc1cn(C)c3ccc(F)cc13)C2 ZINC000019707447 556867258 /nfs/dbraw/zinc/86/72/58/556867258.db2.gz FTVBUCLFVANFJM-QFIPXVFZSA-N 1 2 436.535 3.391 40 0 IGABLO COc1ccccc1S(=O)(=O)N1CCC(Cc2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC000019758826 556902518 /nfs/dbraw/zinc/90/25/18/556902518.db2.gz ZVPOXMZVIJIPGE-UHFFFAOYSA-N 1 2 430.574 3.037 40 0 IGABLO CC(=O)N1CC[C@H](c2c3ccccc3sc2C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000072352597 556924743 /nfs/dbraw/zinc/92/47/43/556924743.db2.gz KHRJGHMSJQEJAJ-IBGZPJMESA-N 1 2 443.613 3.420 40 0 IGABLO COc1ccc([C@H]2NC3=[NH+]CN(Cc4ccco4)CN3c3nc4ccccc4n32)c(OC)c1 ZINC000019960390 556955213 /nfs/dbraw/zinc/95/52/13/556955213.db2.gz BDJFEMGPDBBJNT-QFIPXVFZSA-N 1 2 444.495 3.390 40 0 IGABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000020150563 556991264 /nfs/dbraw/zinc/99/12/64/556991264.db2.gz VOLZWKVHVWQOJR-ORGXJRBJSA-N 1 2 430.501 3.439 40 0 IGABLO O=C(NCCc1cccs1)[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2c[nH+]cn21 ZINC000585096128 557033364 /nfs/dbraw/zinc/03/33/64/557033364.db2.gz STISDSUWTLUYOE-MHZGPWMTSA-N 1 2 438.597 3.403 40 0 IGABLO Cc1noc(C)c1C(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@@]2(C1)CCCN(CC1CC1)C2=O ZINC000585107333 557038346 /nfs/dbraw/zinc/03/83/46/557038346.db2.gz SZQHRBOKCKXVNH-CYFREDJKSA-N 1 2 439.560 3.327 40 0 IGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@@H+]1CCC[C@H](C)C1 ZINC000006149236 557146417 /nfs/dbraw/zinc/14/64/17/557146417.db2.gz CHGRYSUQIOMRRC-VBKZILBWSA-N 1 2 438.532 3.210 40 0 IGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@H+]1CCC[C@H](C)C1 ZINC000006149236 557146420 /nfs/dbraw/zinc/14/64/20/557146420.db2.gz CHGRYSUQIOMRRC-VBKZILBWSA-N 1 2 438.532 3.210 40 0 IGABLO Cc1ccccc1C(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251429 557188604 /nfs/dbraw/zinc/18/86/04/557188604.db2.gz FUXMGANTRLEJCG-LVXARBLLSA-N 1 2 432.568 3.275 40 0 IGABLO Cc1ccc(CC(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4cccc[nH+]4)C[C@@H]3C2)cc1 ZINC000096251426 557188648 /nfs/dbraw/zinc/18/86/48/557188648.db2.gz DDYXIFAPGMIDPU-HOFKKMOUSA-N 1 2 446.595 3.204 40 0 IGABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(O)CC3)cc2c1 ZINC000057589777 557250258 /nfs/dbraw/zinc/25/02/58/557250258.db2.gz FJWKGPHYZUYVAP-JOCHJYFZSA-N 1 2 436.560 3.183 40 0 IGABLO c1ccc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022928603 557271990 /nfs/dbraw/zinc/27/19/90/557271990.db2.gz VOXYVLVXSNXUBE-DEOSSOPVSA-N 1 2 446.555 3.424 40 0 IGABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495983 557326202 /nfs/dbraw/zinc/32/62/02/557326202.db2.gz SAJKHNCQDCOOBP-JOCHJYFZSA-N 1 2 446.555 3.207 40 0 IGABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495983 557326204 /nfs/dbraw/zinc/32/62/04/557326204.db2.gz SAJKHNCQDCOOBP-JOCHJYFZSA-N 1 2 446.555 3.207 40 0 IGABLO COc1ccc(Cn2nnnc2C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000013561641 557352061 /nfs/dbraw/zinc/35/20/61/557352061.db2.gz VTIQDNIOPCGDNG-UHFFFAOYSA-N 1 2 447.461 3.232 40 0 IGABLO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000033887416 557375527 /nfs/dbraw/zinc/37/55/27/557375527.db2.gz POZCJRCEFZTKLD-NWFVXXGESA-N 1 2 439.874 3.219 40 0 IGABLO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000033887416 557375530 /nfs/dbraw/zinc/37/55/30/557375530.db2.gz POZCJRCEFZTKLD-NWFVXXGESA-N 1 2 439.874 3.219 40 0 IGABLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2nc(N)nc(Nc3ccc(Cl)c(Cl)c3)n2)C1 ZINC000014163550 557424743 /nfs/dbraw/zinc/42/47/43/557424743.db2.gz AUSJDFQOIYOXAD-LLVKDONJSA-N 1 2 425.320 3.279 40 0 IGABLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2nc(N)nc(Nc3ccc(Cl)c(Cl)c3)n2)C1 ZINC000014163550 557424744 /nfs/dbraw/zinc/42/47/44/557424744.db2.gz AUSJDFQOIYOXAD-LLVKDONJSA-N 1 2 425.320 3.279 40 0 IGABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1CC[NH+]1CCOCC1 ZINC000223150173 557439277 /nfs/dbraw/zinc/43/92/77/557439277.db2.gz MHRMBGWCYOUILD-DHIUTWEWSA-N 1 2 433.581 3.177 40 0 IGABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1CC[NH+]1CCOCC1 ZINC000223162751 557440245 /nfs/dbraw/zinc/44/02/45/557440245.db2.gz ZOKZKKGPGHWKFM-VXKWHMMOSA-N 1 2 425.602 3.303 40 0 IGABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1CC[NH+]1CCOCC1 ZINC000223163244 557440540 /nfs/dbraw/zinc/44/05/40/557440540.db2.gz YFUXRVPWEKHOFK-DHIUTWEWSA-N 1 2 433.581 3.177 40 0 IGABLO COc1cc(CN2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000019973411 557511625 /nfs/dbraw/zinc/51/16/25/557511625.db2.gz LHZNFEOMGCEVDY-UHFFFAOYSA-N 1 2 446.544 3.056 40 0 IGABLO c1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000019372841 563022706 /nfs/dbraw/zinc/02/27/06/563022706.db2.gz IRXWUTZQXNNIHS-XMMPIXPASA-N 1 2 425.540 3.024 40 0 IGABLO Cn1nc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)cc1CCOc1ccc(C(F)(F)F)cc1 ZINC000257208768 568668990 /nfs/dbraw/zinc/66/89/90/568668990.db2.gz BNNPJVOZMQLFSR-IBGZPJMESA-N 1 2 435.450 3.357 40 0 IGABLO Cc1nc(C(=O)N2CCC[C@H](CC(=O)NCCn3cc[nH+]c3)C2)c(-c2ccccc2)s1 ZINC000257258761 568692721 /nfs/dbraw/zinc/69/27/21/568692721.db2.gz KVKWZYYNWJWBKG-GOSISDBHSA-N 1 2 437.569 3.374 40 0 IGABLO O=C(N1CC[NH+](CCO)CC1)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 ZINC000257287878 568705644 /nfs/dbraw/zinc/70/56/44/568705644.db2.gz PRVPLBZRDHRYDG-UHFFFAOYSA-N 1 2 444.522 3.108 40 0 IGABLO Cn1nc([C@@H]2CN(c3cc(N)nc[nH+]3)CCO2)cc1CCOc1cccc(C(F)(F)F)c1 ZINC000257343158 568729887 /nfs/dbraw/zinc/72/98/87/568729887.db2.gz ZRSLJWNYSIYYLH-SFHVURJKSA-N 1 2 448.449 3.011 40 0 IGABLO CCn1cc(CN2Cc3c([nH+]c(C)n3CC3CC3)C3(CCN(c4ncccn4)CC3)C2)cn1 ZINC000306123777 568762986 /nfs/dbraw/zinc/76/29/86/568762986.db2.gz AWLIEVKQPFLHDT-UHFFFAOYSA-N 1 2 446.603 3.162 40 0 IGABLO CCn1cc(C[N@@H+]2Cc3c(nc(C)n3CC3CC3)C3(CCN(c4ncccn4)CC3)C2)cn1 ZINC000306123777 568762987 /nfs/dbraw/zinc/76/29/87/568762987.db2.gz AWLIEVKQPFLHDT-UHFFFAOYSA-N 1 2 446.603 3.162 40 0 IGABLO CCn1cc(C[N@H+]2Cc3c(nc(C)n3CC3CC3)C3(CCN(c4ncccn4)CC3)C2)cn1 ZINC000306123777 568762988 /nfs/dbraw/zinc/76/29/88/568762988.db2.gz AWLIEVKQPFLHDT-UHFFFAOYSA-N 1 2 446.603 3.162 40 0 IGABLO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@H]2C(=O)c1ccc(F)cc1 ZINC000101347267 568782132 /nfs/dbraw/zinc/78/21/32/568782132.db2.gz HTVROKSUZNDXQZ-XLNTUCKNSA-N 1 2 442.874 3.323 40 0 IGABLO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@H]2C(=O)c1ccc(F)cc1 ZINC000101347267 568782133 /nfs/dbraw/zinc/78/21/33/568782133.db2.gz HTVROKSUZNDXQZ-XLNTUCKNSA-N 1 2 442.874 3.323 40 0 IGABLO COC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000231643276 569186032 /nfs/dbraw/zinc/18/60/32/569186032.db2.gz XRDFBFRVSINNEM-BZLDKRAPSA-N 1 2 448.541 3.002 40 0 IGABLO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C1)CCC2 ZINC000019692704 569228181 /nfs/dbraw/zinc/22/81/81/569228181.db2.gz NFMYMIKLTYTBKB-HSZRJFAPSA-N 1 2 446.555 3.070 40 0 IGABLO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C1)CCC2 ZINC000019692704 569228182 /nfs/dbraw/zinc/22/81/82/569228182.db2.gz NFMYMIKLTYTBKB-HSZRJFAPSA-N 1 2 446.555 3.070 40 0 IGABLO COCc1cc(C[N@@H+]2CCO[C@H](c3ncncc3-c3noc(C)n3)C2)ccc1OC(C)C ZINC000019693765 569229085 /nfs/dbraw/zinc/22/90/85/569229085.db2.gz IBAPDFLGXZEGMR-NRFANRHFSA-N 1 2 439.516 3.342 40 0 IGABLO COCc1cc(C[N@H+]2CCO[C@H](c3ncncc3-c3noc(C)n3)C2)ccc1OC(C)C ZINC000019693765 569229086 /nfs/dbraw/zinc/22/90/86/569229086.db2.gz IBAPDFLGXZEGMR-NRFANRHFSA-N 1 2 439.516 3.342 40 0 IGABLO Cc1nc([C@@H]2CC[N@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019738785 569236039 /nfs/dbraw/zinc/23/60/39/569236039.db2.gz SRDFGVIFYYINFU-HXUWFJFHSA-N 1 2 430.556 3.410 40 0 IGABLO Cc1nc([C@@H]2CC[N@@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019738785 569236040 /nfs/dbraw/zinc/23/60/40/569236040.db2.gz SRDFGVIFYYINFU-HXUWFJFHSA-N 1 2 430.556 3.410 40 0 IGABLO COc1cccc(C[N@@H+]2CCO[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)c1 ZINC000019759672 569328744 /nfs/dbraw/zinc/32/87/44/569328744.db2.gz MAWGZCULHJOPSS-RUZDIDTESA-N 1 2 447.535 3.289 40 0 IGABLO COc1cccc(C[N@H+]2CCO[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)c1 ZINC000019759672 569328745 /nfs/dbraw/zinc/32/87/45/569328745.db2.gz MAWGZCULHJOPSS-RUZDIDTESA-N 1 2 447.535 3.289 40 0 IGABLO CCCOc1ccc(C(=O)[C@@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000022861979 520337122 /nfs/dbraw/zinc/33/71/22/520337122.db2.gz RAMJYYGIGMBUCY-JWQCQUIFSA-N 1 2 438.568 3.432 40 0 IGABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccc(F)cc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464404 524011803 /nfs/dbraw/zinc/01/18/03/524011803.db2.gz GOUCVHIETXCBKD-HOTGVXAUSA-N 1 2 425.420 3.171 40 0 biogenic,in-vitro IGABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccc(F)cc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464404 524011805 /nfs/dbraw/zinc/01/18/05/524011805.db2.gz GOUCVHIETXCBKD-HOTGVXAUSA-N 1 2 425.420 3.171 40 0 biogenic,in-vitro IGABLO COc1ccccc1C[NH+]1CCN([C@@H](c2nnnn2C(C)(C)C)c2ccccc2F)CC1 ZINC000035290721 524452423 /nfs/dbraw/zinc/45/24/23/524452423.db2.gz NKNJERGFHVFJAR-JOCHJYFZSA-N 1 2 438.551 3.483 40 0 IGABLO Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C[C@@H]4C(=O)NCC[N@H+]4C)C3)c(-c3ccncc3)c2c1 ZINC000036719073 526105800 /nfs/dbraw/zinc/10/58/00/526105800.db2.gz YTARWYJTBISADJ-SIKLNZKXSA-N 1 2 445.567 3.065 40 0 IGABLO Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C[C@@H]4C(=O)NCC[N@@H+]4C)C3)c(-c3ccncc3)c2c1 ZINC000036719073 526105810 /nfs/dbraw/zinc/10/58/10/526105810.db2.gz YTARWYJTBISADJ-SIKLNZKXSA-N 1 2 445.567 3.065 40 0 IGABLO Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCCCn3cc[nH+]c3)cc2)cc1 ZINC000408598419 555956796 /nfs/dbraw/zinc/95/67/96/555956796.db2.gz ZYFHHBCPUBSXMR-UHFFFAOYSA-N 1 2 426.542 3.131 40 0 IGABLO Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1C ZINC000006442307 556087668 /nfs/dbraw/zinc/08/76/68/556087668.db2.gz OLLOJOVZGDEESM-OHEPNIRZSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1C ZINC000006442307 556087671 /nfs/dbraw/zinc/08/76/71/556087671.db2.gz OLLOJOVZGDEESM-OHEPNIRZSA-N 1 2 436.560 3.132 40 0 IGABLO CCOc1cc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)[NH+]=C3N=CNN32)ccc1OC ZINC000408704528 556110006 /nfs/dbraw/zinc/11/00/06/556110006.db2.gz PAHHAXNLHFOLHV-OAQYLSRUSA-N 1 2 435.484 3.274 40 0 IGABLO O=C(Cn1cccnc1=O)N1CCC[C@@H](c2[nH+]c(Nc3ccccc3)n3ccsc23)C1 ZINC000019373379 556750494 /nfs/dbraw/zinc/75/04/94/556750494.db2.gz XFCCMKKQPQIFOP-MRXNPFEDSA-N 1 2 434.525 3.102 40 0 IGABLO CC(C)[N@@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)c5ccccc5F)C4)[nH]n3c(=O)c2C1 ZINC000019448089 556756911 /nfs/dbraw/zinc/75/69/11/556756911.db2.gz OEUNWDXNQQKSOG-MRXNPFEDSA-N 1 2 437.519 3.360 40 0 IGABLO CC(C)[N@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)c5ccccc5F)C4)[nH]n3c(=O)c2C1 ZINC000019448089 556756914 /nfs/dbraw/zinc/75/69/14/556756914.db2.gz OEUNWDXNQQKSOG-MRXNPFEDSA-N 1 2 437.519 3.360 40 0 IGABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)CC5CCCC5)CC4)[nH]n3c(=O)c2C1 ZINC000019448133 556757058 /nfs/dbraw/zinc/75/70/58/556757058.db2.gz OQVPURLQJFRZPY-UHFFFAOYSA-N 1 2 425.577 3.488 40 0 IGABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)CC5CCCC5)CC4)[nH]n3c(=O)c2C1 ZINC000019448133 556757061 /nfs/dbraw/zinc/75/70/61/556757061.db2.gz OQVPURLQJFRZPY-UHFFFAOYSA-N 1 2 425.577 3.488 40 0 IGABLO CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC000019448975 556759115 /nfs/dbraw/zinc/75/91/15/556759115.db2.gz JWSPHFHMHZXCIE-RXFWQSSRSA-N 1 2 445.567 3.492 40 0 IGABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)C5CCCC5)C4)nc3C2)cc1 ZINC000019555627 556798550 /nfs/dbraw/zinc/79/85/50/556798550.db2.gz GDBSNBPSTHLCGR-IBGZPJMESA-N 1 2 436.556 3.255 40 0 IGABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)C5CCCC5)C4)nc3C2)cc1 ZINC000019555627 556798553 /nfs/dbraw/zinc/79/85/53/556798553.db2.gz GDBSNBPSTHLCGR-IBGZPJMESA-N 1 2 436.556 3.255 40 0 IGABLO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)c(C)c3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006442379 556835672 /nfs/dbraw/zinc/83/56/72/556835672.db2.gz BFJZKLUKXXZLBC-QHCPKHFHSA-N 1 2 444.539 3.374 40 0 IGABLO Cc1[nH]c2ccccc2c1C(=O)N1CCC(c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000019705869 556863253 /nfs/dbraw/zinc/86/32/53/556863253.db2.gz GSRRSLABWCGAGP-UHFFFAOYSA-N 1 2 445.567 3.279 40 0 IGABLO CNc1nc([C@@H]2CCCCN2C(=O)CCOc2cccc(F)c2)nc2c1C[N@H+](C)CC2 ZINC000019710393 556872642 /nfs/dbraw/zinc/87/26/42/556872642.db2.gz QTZWXSBGIWHIKK-FQEVSTJZSA-N 1 2 427.524 3.168 40 0 IGABLO CNc1nc([C@@H]2CCCCN2C(=O)CCOc2cccc(F)c2)nc2c1C[N@@H+](C)CC2 ZINC000019710393 556872645 /nfs/dbraw/zinc/87/26/45/556872645.db2.gz QTZWXSBGIWHIKK-FQEVSTJZSA-N 1 2 427.524 3.168 40 0 IGABLO CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000072352596 556924755 /nfs/dbraw/zinc/92/47/55/556924755.db2.gz KHRJGHMSJQEJAJ-LJQANCHMSA-N 1 2 443.613 3.420 40 0 IGABLO O=C(c1cc([C@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000072352709 556925157 /nfs/dbraw/zinc/92/51/57/556925157.db2.gz OAYBGYACGVYPIC-XMMPIXPASA-N 1 2 435.499 3.420 40 0 IGABLO O=C(c1cc([C@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000072352709 556925161 /nfs/dbraw/zinc/92/51/61/556925161.db2.gz OAYBGYACGVYPIC-XMMPIXPASA-N 1 2 435.499 3.420 40 0 IGABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1C[N@H+](Cc1cn(C)c3ccc(F)cc13)CC2 ZINC000072372388 556942509 /nfs/dbraw/zinc/94/25/09/556942509.db2.gz WIOHYUDEQZLCSY-JOCHJYFZSA-N 1 2 436.535 3.391 40 0 IGABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1C[N@@H+](Cc1cn(C)c3ccc(F)cc13)CC2 ZINC000072372388 556942512 /nfs/dbraw/zinc/94/25/12/556942512.db2.gz WIOHYUDEQZLCSY-JOCHJYFZSA-N 1 2 436.535 3.391 40 0 IGABLO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3c4cccnc4[nH]c3C(C)C)CC2)cc1 ZINC000072393719 556965056 /nfs/dbraw/zinc/96/50/56/556965056.db2.gz IBLWATIHGFZREY-UHFFFAOYSA-N 1 2 428.558 3.201 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006148935 557146048 /nfs/dbraw/zinc/14/60/48/557146048.db2.gz ZEDHLMMMNKAJOZ-QHCPKHFHSA-N 1 2 444.539 3.393 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCCC3)cc2c1 ZINC000006198026 557149789 /nfs/dbraw/zinc/14/97/89/557149789.db2.gz HHRSXTWDWSKPNM-UGKGYDQZSA-N 1 2 436.560 3.221 40 0 IGABLO Cn1cc(C[NH+]2CCN(C(=O)c3ccccc3COc3ccc(F)cc3F)CC2)cn1 ZINC000017094811 557226918 /nfs/dbraw/zinc/22/69/18/557226918.db2.gz SBRYHFQGHXOWQB-UHFFFAOYSA-N 1 2 426.467 3.235 40 0 IGABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 ZINC000026100266 557234281 /nfs/dbraw/zinc/23/42/81/557234281.db2.gz JICROXSRVUOLRV-UHFFFAOYSA-N 1 2 436.581 3.368 40 0 IGABLO CCC(=O)N1CCc2nc3cc([C@@H]4CCC[N@H+](Cc5cccc(F)c5)C4)[nH]n3c(=O)c2C1 ZINC000100233714 557251127 /nfs/dbraw/zinc/25/11/27/557251127.db2.gz BMJNOZMPNJYYAK-QGZVFWFLSA-N 1 2 437.519 3.248 40 0 IGABLO CCC(=O)N1CCc2nc3cc([C@@H]4CCC[N@@H+](Cc5cccc(F)c5)C4)[nH]n3c(=O)c2C1 ZINC000100233714 557251130 /nfs/dbraw/zinc/25/11/30/557251130.db2.gz BMJNOZMPNJYYAK-QGZVFWFLSA-N 1 2 437.519 3.248 40 0 IGABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057643937 557256355 /nfs/dbraw/zinc/25/63/55/557256355.db2.gz ZRLUMJBAUTXLBQ-LJQANCHMSA-N 1 2 426.565 3.222 40 0 IGABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057643937 557256357 /nfs/dbraw/zinc/25/63/57/557256357.db2.gz ZRLUMJBAUTXLBQ-LJQANCHMSA-N 1 2 426.565 3.222 40 0 IGABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000057671055 557256940 /nfs/dbraw/zinc/25/69/40/557256940.db2.gz NZHOHWSINPTXPQ-QHCPKHFHSA-N 1 2 436.560 3.258 40 0 IGABLO COc1ccc(Cn2nnnc2[C@@H](c2ccccc2OC)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000057671101 557256951 /nfs/dbraw/zinc/25/69/51/557256951.db2.gz UMSGRGKOKJXRRL-OAQYLSRUSA-N 1 2 436.516 3.075 40 0 IGABLO CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000057671012 557256997 /nfs/dbraw/zinc/25/69/97/557256997.db2.gz FDQPXONIZUKKOP-JOCHJYFZSA-N 1 2 436.560 3.402 40 0 IGABLO CS(=O)(=O)N(CCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(F)c1 ZINC000222601678 557359885 /nfs/dbraw/zinc/35/98/85/557359885.db2.gz ZYDAHKVGCCPECE-UHFFFAOYSA-N 1 2 448.495 3.013 40 0 IGABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1CCOC)c1cc2cc(C)ccc2[nH]c1=O ZINC000019972815 557511392 /nfs/dbraw/zinc/51/13/92/557511392.db2.gz KVQTVFZSHHOLIK-JOCHJYFZSA-N 1 2 432.528 3.081 40 0 IGABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1CCOC)c1cc2cc(C)ccc2[nH]c1=O ZINC000019972815 557511396 /nfs/dbraw/zinc/51/13/96/557511396.db2.gz KVQTVFZSHHOLIK-JOCHJYFZSA-N 1 2 432.528 3.081 40 0 IGABLO Clc1ccccc1[C@@H](c1nnnn1Cc1ccco1)N1CC[NH+](Cc2ccco2)CC1 ZINC000020141662 557515940 /nfs/dbraw/zinc/51/59/40/557515940.db2.gz GXTQAAKFDCZZOW-NRFANRHFSA-N 1 2 438.919 3.468 40 0 IGABLO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4nnc(C)s4)n3)C2)cc1CO ZINC000257237684 568682818 /nfs/dbraw/zinc/68/28/18/568682818.db2.gz HHPSPRDAJHDCOR-HXUWFJFHSA-N 1 2 441.557 3.450 40 0 IGABLO CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(Nc4nnc(C)s4)n3)C2)cc1CO ZINC000257237684 568682819 /nfs/dbraw/zinc/68/28/19/568682819.db2.gz HHPSPRDAJHDCOR-HXUWFJFHSA-N 1 2 441.557 3.450 40 0 IGABLO CNC(=O)c1cccc([C@H]2CN(C(C)=O)CC[N@@H+]2Cc2ccccc2N2CCCCC2)c1 ZINC000257259086 568692723 /nfs/dbraw/zinc/69/27/23/568692723.db2.gz KWTRONYSPNMFPV-RUZDIDTESA-N 1 2 434.584 3.442 40 0 IGABLO CNC(=O)c1cccc([C@H]2CN(C(C)=O)CC[N@H+]2Cc2ccccc2N2CCCCC2)c1 ZINC000257259086 568692724 /nfs/dbraw/zinc/69/27/24/568692724.db2.gz KWTRONYSPNMFPV-RUZDIDTESA-N 1 2 434.584 3.442 40 0 IGABLO Cc1nc(C(=O)N2CCC[C@@H](CC(=O)NCCn3cc[nH+]c3)C2)c(-c2ccccc2)s1 ZINC000257258762 568692736 /nfs/dbraw/zinc/69/27/36/568692736.db2.gz KVKWZYYNWJWBKG-SFHVURJKSA-N 1 2 437.569 3.374 40 0 IGABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1cn(C)c3ccc(F)cc13)CC2 ZINC000257298994 568710972 /nfs/dbraw/zinc/71/09/72/568710972.db2.gz ROFSBWXJHRSYJM-INIZCTEOSA-N 1 2 436.535 3.043 40 0 IGABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1cn(C)c3ccc(F)cc13)CC2 ZINC000257298994 568710973 /nfs/dbraw/zinc/71/09/73/568710973.db2.gz ROFSBWXJHRSYJM-INIZCTEOSA-N 1 2 436.535 3.043 40 0 IGABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@@H](c3cccc(Nc4cnccn4)n3)C1)CO2 ZINC000257325892 568722803 /nfs/dbraw/zinc/72/28/03/568722803.db2.gz WUXKBCYXJORZNZ-JOCHJYFZSA-N 1 2 431.496 3.473 40 0 IGABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@@H](c3cccc(Nc4cnccn4)n3)C1)CO2 ZINC000257325892 568722806 /nfs/dbraw/zinc/72/28/06/568722806.db2.gz WUXKBCYXJORZNZ-JOCHJYFZSA-N 1 2 431.496 3.473 40 0 IGABLO Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCC[C@H](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000257329067 568723872 /nfs/dbraw/zinc/72/38/72/568723872.db2.gz XIGFJGYXGQBKTF-QGZVFWFLSA-N 1 2 441.963 3.314 40 0 IGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC(C)=O)cc1 ZINC000261364449 568733464 /nfs/dbraw/zinc/73/34/64/568733464.db2.gz LOTAFAGZERDBCX-OAQYLSRUSA-O 1 2 437.501 3.087 40 0 IGABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4ccccc4F)CC2)C[N@@H+](C)C3)cc1 ZINC000306137655 568770078 /nfs/dbraw/zinc/77/00/78/568770078.db2.gz RCLKXEXGORUNGQ-UHFFFAOYSA-N 1 2 435.503 3.170 40 0 IGABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4ccccc4F)CC2)C[N@H+](C)C3)cc1 ZINC000306137655 568770080 /nfs/dbraw/zinc/77/00/80/568770080.db2.gz RCLKXEXGORUNGQ-UHFFFAOYSA-N 1 2 435.503 3.170 40 0 IGABLO Cc1[nH+]c2ccccc2n1CC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000036708831 568926808 /nfs/dbraw/zinc/92/68/08/568926808.db2.gz CUNYDKZTRHWTOZ-UHFFFAOYSA-N 1 2 427.526 3.217 40 0 IGABLO Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2cc1C ZINC000231450650 569185942 /nfs/dbraw/zinc/18/59/42/569185942.db2.gz DGRKTYCQXQIGKH-YIFZBPKDSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2cc1C ZINC000231450650 569185944 /nfs/dbraw/zinc/18/59/44/569185944.db2.gz DGRKTYCQXQIGKH-YIFZBPKDSA-N 1 2 436.560 3.132 40 0 IGABLO O=C(NCCO)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000019696410 569229767 /nfs/dbraw/zinc/22/97/67/569229767.db2.gz ZVHUHZWAQINVDS-IBGZPJMESA-N 1 2 436.537 3.073 40 0 IGABLO O=C(NCCO)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000019696410 569229768 /nfs/dbraw/zinc/22/97/68/569229768.db2.gz ZVHUHZWAQINVDS-IBGZPJMESA-N 1 2 436.537 3.073 40 0 IGABLO O=C(NCCO)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000019702997 569232614 /nfs/dbraw/zinc/23/26/14/569232614.db2.gz UDGJVMQWAQGJQX-FQEVSTJZSA-N 1 2 448.548 3.140 40 0 IGABLO O=C(NCCO)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000019702997 569232616 /nfs/dbraw/zinc/23/26/16/569232616.db2.gz UDGJVMQWAQGJQX-FQEVSTJZSA-N 1 2 448.548 3.140 40 0 IGABLO CC(C)[C@@H](CO)Nc1nc(NC[C@@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329070004 569583208 /nfs/dbraw/zinc/58/32/08/569583208.db2.gz ZCMOTVOLWNGQDE-FUHWJXTLSA-N 1 2 440.466 4.062 40 0 IGABLO CC(C)[C@@H](CO)Nc1nc(NC[C@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329070005 569583244 /nfs/dbraw/zinc/58/32/44/569583244.db2.gz ZCMOTVOLWNGQDE-SJLPKXTDSA-N 1 2 440.466 4.062 40 0 IGABLO CC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000022524929 523786227 /nfs/dbraw/zinc/78/62/27/523786227.db2.gz QDBOGZQFBJYCKM-LJQANCHMSA-N 1 2 446.960 3.387 40 0 IGABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000012496933 524014194 /nfs/dbraw/zinc/01/41/94/524014194.db2.gz KSHIPPBAPXPXOS-UGCAPWQASA-N 1 2 446.528 3.353 40 0 IGABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc2ccccc21 ZINC000022511659 525152304 /nfs/dbraw/zinc/15/23/04/525152304.db2.gz HUEQPMXVBOZLQZ-UHFFFAOYSA-N 1 2 434.521 3.108 40 0 IGABLO COc1ccc2c(c1)[nH]cc2C(=O)C[N@H+]1CC=C(c2nc(C)cc(N3CCOCC3)n2)CC1 ZINC000012186443 525597437 /nfs/dbraw/zinc/59/74/37/525597437.db2.gz PLGBVTXANBWMOT-UHFFFAOYSA-N 1 2 447.539 3.084 40 0 IGABLO COc1ccc2c(c1)[nH]cc2C(=O)C[N@@H+]1CC=C(c2nc(C)cc(N3CCOCC3)n2)CC1 ZINC000012186443 525597447 /nfs/dbraw/zinc/59/74/47/525597447.db2.gz PLGBVTXANBWMOT-UHFFFAOYSA-N 1 2 447.539 3.084 40 0 IGABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000408627228 555998141 /nfs/dbraw/zinc/99/81/41/555998141.db2.gz YMPXXWKVKLFSGW-UHFFFAOYSA-N 1 2 440.569 3.210 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006198053 556080328 /nfs/dbraw/zinc/08/03/28/556080328.db2.gz NNVBDNAILXJBKX-NBCNXNJRSA-N 1 2 436.560 3.077 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006198053 556080332 /nfs/dbraw/zinc/08/03/32/556080332.db2.gz NNVBDNAILXJBKX-NBCNXNJRSA-N 1 2 436.560 3.077 40 0 IGABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@@H]1CC[C@H](C3)[N@@H+]1Cc1ccc(Oc2ncccn2)cc1 ZINC000019130165 556704112 /nfs/dbraw/zinc/70/41/12/556704112.db2.gz BZVOFOLHDNFRBB-ZWKOTPCHSA-N 1 2 428.496 3.457 40 0 IGABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@@H]1CC[C@H](C3)[N@H+]1Cc1ccc(Oc2ncccn2)cc1 ZINC000019130165 556704114 /nfs/dbraw/zinc/70/41/14/556704114.db2.gz BZVOFOLHDNFRBB-ZWKOTPCHSA-N 1 2 428.496 3.457 40 0 IGABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257331136 556705971 /nfs/dbraw/zinc/70/59/71/556705971.db2.gz XROCKROQEFNDTA-JOCHJYFZSA-N 1 2 445.563 3.398 40 0 IGABLO O=C(c1ccccc1OCC[NH+]1CCOCC1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000257248264 556711497 /nfs/dbraw/zinc/71/14/97/556711497.db2.gz JCWPPWBKJIBFJB-WXFUMESZSA-N 1 2 436.552 3.042 40 0 IGABLO Cn1c(C[N@@H+]2CCNC(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)nc2ccccc21 ZINC000019289952 556729697 /nfs/dbraw/zinc/72/96/97/556729697.db2.gz IARKIIKZDHTCRP-QFIPXVFZSA-N 1 2 425.536 3.426 40 0 IGABLO Cn1c(C[N@H+]2CCNC(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)nc2ccccc21 ZINC000019289952 556729700 /nfs/dbraw/zinc/72/97/00/556729700.db2.gz IARKIIKZDHTCRP-QFIPXVFZSA-N 1 2 425.536 3.426 40 0 IGABLO O=C(c1ccncc1)N1CCc2c(=O)[nH]c([C@@H]3CCCC[N@@H+]3Cc3cccs3)nc2C1 ZINC000019343491 556741329 /nfs/dbraw/zinc/74/13/29/556741329.db2.gz QTFGTHSQAJPNAX-FQEVSTJZSA-N 1 2 435.553 3.152 40 0 IGABLO O=C(c1ccncc1)N1CCc2c(=O)[nH]c([C@@H]3CCCC[N@H+]3Cc3cccs3)nc2C1 ZINC000019343491 556741332 /nfs/dbraw/zinc/74/13/32/556741332.db2.gz QTFGTHSQAJPNAX-FQEVSTJZSA-N 1 2 435.553 3.152 40 0 IGABLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccsc1)CN2C(=O)c1ccccc1F ZINC000019347707 556743425 /nfs/dbraw/zinc/74/34/25/556743425.db2.gz BOCMCLAEZXXMRN-SFHLNBCPSA-N 1 2 438.528 3.241 40 0 IGABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000019592442 556828596 /nfs/dbraw/zinc/82/85/96/556828596.db2.gz KSHIPPBAPXPXOS-AIFLQVKLSA-N 1 2 446.528 3.353 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)cc2c1 ZINC000006282649 556831135 /nfs/dbraw/zinc/83/11/35/556831135.db2.gz CYMWMWXSCNTBNQ-QFIPXVFZSA-N 1 2 430.512 3.147 40 0 IGABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)ccc3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006408873 556834814 /nfs/dbraw/zinc/83/48/14/556834814.db2.gz MWORSYGKLHTGSS-QFIPXVFZSA-N 1 2 430.512 3.065 40 0 IGABLO Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCCC3)c(=O)[nH]c2c1C ZINC000006442494 556835866 /nfs/dbraw/zinc/83/58/66/556835866.db2.gz XAVIXCXCJKNCIR-SIKLNZKXSA-N 1 2 436.560 3.276 40 0 IGABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(C)c(C)c3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006442570 556835910 /nfs/dbraw/zinc/83/59/10/556835910.db2.gz BFJZKLUKXXZLBC-HSZRJFAPSA-N 1 2 444.539 3.374 40 0 IGABLO Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1C ZINC000006442529 556835971 /nfs/dbraw/zinc/83/59/71/556835971.db2.gz OLLOJOVZGDEESM-VQPPSCEASA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1C ZINC000006442529 556835974 /nfs/dbraw/zinc/83/59/74/556835974.db2.gz OLLOJOVZGDEESM-VQPPSCEASA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc2oc(=O)n(CC(=O)N3CCC[C@H](c4ccc(-c5ccc(N)[nH+]c5)cn4)C3)c2c1 ZINC000019689213 556844013 /nfs/dbraw/zinc/84/40/13/556844013.db2.gz WOOUEEHJHBTDJP-IBGZPJMESA-N 1 2 443.507 3.348 40 0 IGABLO CCC(CC)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)c5cccnc5)CC4)[nH]n3c(=O)c2C1 ZINC000072389795 556959888 /nfs/dbraw/zinc/95/98/88/556959888.db2.gz SLTUDYYLCDKHJX-UHFFFAOYSA-N 1 2 448.571 3.396 40 0 IGABLO CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)c5cccnc5)CC4)[nH]n3c(=O)c2C1 ZINC000072389795 556959892 /nfs/dbraw/zinc/95/98/92/556959892.db2.gz SLTUDYYLCDKHJX-UHFFFAOYSA-N 1 2 448.571 3.396 40 0 IGABLO Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1)S(C)(=O)=O ZINC000020045856 556973370 /nfs/dbraw/zinc/97/33/70/556973370.db2.gz HVBZBGUVLOJERG-MRXNPFEDSA-N 1 2 446.960 3.305 40 0 IGABLO COc1ccc([C@@H]2[NH+]=C(NCc3ccc(Cl)cc3)Nc3nc(C)cc(=O)n32)cc1OC ZINC000009287564 557183253 /nfs/dbraw/zinc/18/32/53/557183253.db2.gz HKKNIEJNWPUHDR-HXUWFJFHSA-N 1 2 439.903 3.341 40 0 IGABLO Cc1ccc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4cccc[nH+]4)C[C@@H]3C2)cc1 ZINC000096251412 557188509 /nfs/dbraw/zinc/18/85/09/557188509.db2.gz FRJVCGIVICAIBR-NVQXNPDNSA-N 1 2 432.568 3.275 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(O)CC3)cc12 ZINC000057589859 557253776 /nfs/dbraw/zinc/25/37/76/557253776.db2.gz DFJZRFGDDWKEAG-QFIPXVFZSA-N 1 2 436.560 3.183 40 0 IGABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057643930 557256218 /nfs/dbraw/zinc/25/62/18/557256218.db2.gz ZRLUMJBAUTXLBQ-IBGZPJMESA-N 1 2 426.565 3.222 40 0 IGABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057643930 557256221 /nfs/dbraw/zinc/25/62/21/557256221.db2.gz ZRLUMJBAUTXLBQ-IBGZPJMESA-N 1 2 426.565 3.222 40 0 IGABLO CCOC(=O)[C@H]1CCC[N@H+](Cc2nc(N)nc(Nc3ccc(Cl)c(Cl)c3)n2)C1 ZINC000014163554 557424751 /nfs/dbraw/zinc/42/47/51/557424751.db2.gz AUSJDFQOIYOXAD-NSHDSACASA-N 1 2 425.320 3.279 40 0 IGABLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2nc(N)nc(Nc3ccc(Cl)c(Cl)c3)n2)C1 ZINC000014163554 557424755 /nfs/dbraw/zinc/42/47/55/557424755.db2.gz AUSJDFQOIYOXAD-NSHDSACASA-N 1 2 425.320 3.279 40 0 IGABLO CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223179822 557442212 /nfs/dbraw/zinc/44/22/12/557442212.db2.gz UIMOZZUDVXMQEV-VXKWHMMOSA-N 1 2 427.618 3.215 40 0 IGABLO CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223483782 557477556 /nfs/dbraw/zinc/47/75/56/557477556.db2.gz AQHWJCQOPMWRCJ-XMMPIXPASA-N 1 2 441.547 3.144 40 0 IGABLO CCn1cc(C[NH+]2CCN(C(=O)CCn3nc(C(F)(F)F)c(Cl)c3C)CC2)c(C)n1 ZINC000019645389 557522425 /nfs/dbraw/zinc/52/24/25/557522425.db2.gz SHFJAKLVNLZDCJ-UHFFFAOYSA-N 1 2 446.905 3.123 40 0 IGABLO COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1N1C(=O)CCC1=O ZINC000224979350 557674088 /nfs/dbraw/zinc/67/40/88/557674088.db2.gz PWNYKLMZKJXUDA-UHFFFAOYSA-N 1 2 443.525 3.140 40 0 IGABLO Cc1c(C(=O)N2CCC[C@H](CC(=O)NCCn3cc[nH+]c3)C2)cccc1N1CCCCC1 ZINC000257261418 568693870 /nfs/dbraw/zinc/69/38/70/568693870.db2.gz LHFDESQFIVKQFS-OAQYLSRUSA-N 1 2 437.588 3.241 40 0 IGABLO CCc1cc(CNC(=O)[C@@]2(C)CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)on1 ZINC000257276079 568700232 /nfs/dbraw/zinc/70/02/32/568700232.db2.gz NSGOOJQTEWZUAX-DEOSSOPVSA-N 1 2 435.528 3.041 40 0 IGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc2c(cc1Cl)OCO2 ZINC000261363979 568733563 /nfs/dbraw/zinc/73/35/63/568733563.db2.gz IVRUOUSAUPTODW-LJQANCHMSA-O 1 2 443.892 3.154 40 0 IGABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)Cc4cccs4)CC2)C[N@@H+](C)C3)cc1 ZINC000306123103 568762513 /nfs/dbraw/zinc/76/25/13/568762513.db2.gz AEJLPYCKPRCQIA-UHFFFAOYSA-N 1 2 437.569 3.021 40 0 IGABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)Cc4cccs4)CC2)C[N@H+](C)C3)cc1 ZINC000306123103 568762514 /nfs/dbraw/zinc/76/25/14/568762514.db2.gz AEJLPYCKPRCQIA-UHFFFAOYSA-N 1 2 437.569 3.021 40 0 IGABLO COc1ccc(-c2cnc3c(N4CC[NH+](Cc5cccnc5OC)CC4)nccn23)cc1 ZINC000306126986 568764510 /nfs/dbraw/zinc/76/45/10/568764510.db2.gz FKWPKVRBKXQPRN-UHFFFAOYSA-N 1 2 430.512 3.131 40 0 IGABLO Cc1nc2c(n1CC1CC1)C[N@H+](Cc1ccccn1)CC21CCN(c2ncccn2)CC1 ZINC000306133018 568767609 /nfs/dbraw/zinc/76/76/09/568767609.db2.gz LZBVPIWLLSLYTI-UHFFFAOYSA-N 1 2 429.572 3.341 40 0 IGABLO Cc1nc2c(n1CC1CC1)C[N@@H+](Cc1ccccn1)CC21CCN(c2ncccn2)CC1 ZINC000306133018 568767612 /nfs/dbraw/zinc/76/76/12/568767612.db2.gz LZBVPIWLLSLYTI-UHFFFAOYSA-N 1 2 429.572 3.341 40 0 IGABLO Cc1[nH+]c2c(n1CC1CC1)CN(Cc1ccccn1)CC21CCN(c2ncccn2)CC1 ZINC000306133018 568767614 /nfs/dbraw/zinc/76/76/14/568767614.db2.gz LZBVPIWLLSLYTI-UHFFFAOYSA-N 1 2 429.572 3.341 40 0 IGABLO Cc1nc(CN2CC[C@]3(CN(C(=O)C4CCC4)C[C@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306144304 568773628 /nfs/dbraw/zinc/77/36/28/568773628.db2.gz ZBVWLXMPFHNHGK-WMZHIEFXSA-N 1 2 441.601 3.374 40 0 IGABLO COc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@H](C)CO)n1 ZINC000329032227 568809963 /nfs/dbraw/zinc/80/99/63/568809963.db2.gz QNDVKIVWQJRAAJ-CQSZACIVSA-N 1 2 448.445 3.299 40 0 IGABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)cc(C)c3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006300846 568904688 /nfs/dbraw/zinc/90/46/88/568904688.db2.gz WLWKHZKRDXZAKM-QHCPKHFHSA-N 1 2 444.539 3.374 40 0 IGABLO O[C@H](COc1c(F)cc(Br)cc1F)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000001462681 569211160 /nfs/dbraw/zinc/21/11/60/569211160.db2.gz HLTGQAIZUALIRQ-KRWDZBQOSA-N 1 2 441.316 3.285 40 0 IGABLO COc1cccc(-c2nccnc2[C@H]2C[N@H+](Cc3cnn4c3nc(C)cc4C)CCO2)c1 ZINC000019693265 569228687 /nfs/dbraw/zinc/22/86/87/569228687.db2.gz ZJPIFWAPSDJERU-OAQYLSRUSA-N 1 2 430.512 3.385 40 0 IGABLO COc1cccc(-c2nccnc2[C@H]2C[N@@H+](Cc3cnn4c3nc(C)cc4C)CCO2)c1 ZINC000019693265 569228688 /nfs/dbraw/zinc/22/86/88/569228688.db2.gz ZJPIFWAPSDJERU-OAQYLSRUSA-N 1 2 430.512 3.385 40 0 IGABLO O=C(NCCO)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000019696411 569229790 /nfs/dbraw/zinc/22/97/90/569229790.db2.gz ZVHUHZWAQINVDS-LJQANCHMSA-N 1 2 436.537 3.073 40 0 IGABLO O=C(NCCO)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000019696411 569229791 /nfs/dbraw/zinc/22/97/91/569229791.db2.gz ZVHUHZWAQINVDS-LJQANCHMSA-N 1 2 436.537 3.073 40 0 IGABLO O=C(NCCO)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2cccc3ncccc23)CCO1 ZINC000019703318 569233023 /nfs/dbraw/zinc/23/30/23/569233023.db2.gz GJDDEPVKZNZWQE-FQEVSTJZSA-N 1 2 448.548 3.140 40 0 IGABLO O=C(NCCO)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2cccc3ncccc23)CCO1 ZINC000019703318 569233024 /nfs/dbraw/zinc/23/30/24/569233024.db2.gz GJDDEPVKZNZWQE-FQEVSTJZSA-N 1 2 448.548 3.140 40 0 IGABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(N)=O ZINC000026744679 569242624 /nfs/dbraw/zinc/24/26/24/569242624.db2.gz LAWSDGKYXZZHOR-UHFFFAOYSA-N 1 2 449.576 3.190 40 0 IGABLO COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4CNCc3ccccn3)n(C)n2)cc1OC ZINC000095252494 123391104 /nfs/dbraw/zinc/39/11/04/123391104.db2.gz PBOFHRFMHANGQL-BWAGFHJFSA-N 1 2 447.583 3.467 40 0 biogenic,in-vitro IGABLO O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030758711 556505489 /nfs/dbraw/zinc/50/54/89/556505489.db2.gz SPPCXXSPCFIKGA-UHFFFAOYSA-N 1 2 430.508 3.096 40 0 IGABLO Cn1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2cccs2)cn1 ZINC000514290236 556626053 /nfs/dbraw/zinc/62/60/53/556626053.db2.gz WJFBBMDXSMFDNH-JAXLGGSGSA-N 1 2 428.533 3.117 40 0 biogenic,in-vitro IGABLO Cn1cc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2cccs2)cn1 ZINC000514290236 556626056 /nfs/dbraw/zinc/62/60/56/556626056.db2.gz WJFBBMDXSMFDNH-JAXLGGSGSA-N 1 2 428.533 3.117 40 0 biogenic,in-vitro IGABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000044904300 556679201 /nfs/dbraw/zinc/67/92/01/556679201.db2.gz WXSVWZWHOFXTCG-UHFFFAOYSA-N 1 2 444.944 3.240 40 0 IGABLO Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCC[N@H+](CC(=O)Nc3ccccn3)C2)on1 ZINC000019124196 556702559 /nfs/dbraw/zinc/70/25/59/556702559.db2.gz DMFFDFMBIIAKSL-QGZVFWFLSA-N 1 2 431.500 3.214 40 0 IGABLO Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCC[N@@H+](CC(=O)Nc3ccccn3)C2)on1 ZINC000019124196 556702561 /nfs/dbraw/zinc/70/25/61/556702561.db2.gz DMFFDFMBIIAKSL-QGZVFWFLSA-N 1 2 431.500 3.214 40 0 IGABLO Cc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccccc3)cc2c1 ZINC000000883292 556734071 /nfs/dbraw/zinc/73/40/71/556734071.db2.gz YFDYEONWRGVBFX-UHFFFAOYSA-N 1 2 436.581 3.368 40 0 IGABLO CCOc1cc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)ccc1OC ZINC000019532105 556792542 /nfs/dbraw/zinc/79/25/42/556792542.db2.gz BZZQOAYKYVHAEM-UHFFFAOYSA-N 1 2 426.561 3.402 40 0 IGABLO CCOc1cc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)ccc1OC ZINC000019532105 556792544 /nfs/dbraw/zinc/79/25/44/556792544.db2.gz BZZQOAYKYVHAEM-UHFFFAOYSA-N 1 2 426.561 3.402 40 0 IGABLO COc1ccc(-c2cnc(CCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)o2)cc1 ZINC000064022537 556822533 /nfs/dbraw/zinc/82/25/33/556822533.db2.gz XRPFGEQQGPQDKY-UHFFFAOYSA-N 1 2 449.507 3.356 40 0 IGABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004848177 556824072 /nfs/dbraw/zinc/82/40/72/556824072.db2.gz FTBMKABFFUKRHN-HXUWFJFHSA-N 1 2 426.565 3.304 40 0 IGABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004848177 556824075 /nfs/dbraw/zinc/82/40/75/556824075.db2.gz FTBMKABFFUKRHN-HXUWFJFHSA-N 1 2 426.565 3.304 40 0 IGABLO Cc1cccc2cc(C[N@@H+](CCCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000004848162 556824092 /nfs/dbraw/zinc/82/40/92/556824092.db2.gz JYAHURAOKIOGAK-HXUWFJFHSA-N 1 2 426.565 3.160 40 0 IGABLO Cc1cccc2cc(C[N@H+](CCCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000004848162 556824096 /nfs/dbraw/zinc/82/40/96/556824096.db2.gz JYAHURAOKIOGAK-HXUWFJFHSA-N 1 2 426.565 3.160 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006283264 556831672 /nfs/dbraw/zinc/83/16/72/556831672.db2.gz CCVRAWPWGXLBRB-SBUREZEXSA-N 1 2 444.539 3.393 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006283264 556831674 /nfs/dbraw/zinc/83/16/74/556831674.db2.gz CCVRAWPWGXLBRB-SBUREZEXSA-N 1 2 444.539 3.393 40 0 IGABLO Cc1nnc2n1C[C@H](c1cccc(C(=O)N3CC[NH+](Cc4cccc(F)c4)CC3)c1)CC2 ZINC000019698199 556856318 /nfs/dbraw/zinc/85/63/18/556856318.db2.gz CVTMWXHSGWTWRB-JOCHJYFZSA-N 1 2 433.531 3.414 40 0 IGABLO CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCC[N@@H+]2Cc2cccc(OC)c2OC)n1 ZINC000019709787 556871113 /nfs/dbraw/zinc/87/11/13/556871113.db2.gz PEALUSMSYROJHD-IBGZPJMESA-N 1 2 427.549 3.241 40 0 IGABLO CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCC[N@H+]2Cc2cccc(OC)c2OC)n1 ZINC000019709787 556871115 /nfs/dbraw/zinc/87/11/15/556871115.db2.gz PEALUSMSYROJHD-IBGZPJMESA-N 1 2 427.549 3.241 40 0 IGABLO Cc1nn(CC(=O)N2CC[N@@H+](Cc3ccccc3F)C[C@@H]2C(C)C)c(=O)c2ccccc12 ZINC000072324123 556902411 /nfs/dbraw/zinc/90/24/11/556902411.db2.gz VYAOTXXWHIVAOO-HSZRJFAPSA-N 1 2 436.531 3.213 40 0 IGABLO Cc1nn(CC(=O)N2CC[N@H+](Cc3ccccc3F)C[C@@H]2C(C)C)c(=O)c2ccccc12 ZINC000072324123 556902413 /nfs/dbraw/zinc/90/24/13/556902413.db2.gz VYAOTXXWHIVAOO-HSZRJFAPSA-N 1 2 436.531 3.213 40 0 IGABLO COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)C[NH+]4Cc5ccccc5C4)C3)[nH]n2)cc1 ZINC000072371503 556938978 /nfs/dbraw/zinc/93/89/78/556938978.db2.gz GUXNSIDVMBOJLU-OAQYLSRUSA-N 1 2 446.551 3.372 40 0 IGABLO Cc1ccc[nH+]c1Nc1ccc(C2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)nc1 ZINC000072374252 556947384 /nfs/dbraw/zinc/94/73/84/556947384.db2.gz VJEOBQAPWDWWBB-UHFFFAOYSA-N 1 2 432.528 3.177 40 0 IGABLO COc1ccc(CN2[C@@]3(CC[N@H+](Cc4nccs4)C3)c3ccccc3S2(=O)=O)cc1 ZINC000096143241 557170131 /nfs/dbraw/zinc/17/01/31/557170131.db2.gz MFTNUBZKLMYBNG-JOCHJYFZSA-N 1 2 441.578 3.457 40 0 IGABLO COc1ccc(CN2[C@@]3(CC[N@@H+](Cc4nccs4)C3)c3ccccc3S2(=O)=O)cc1 ZINC000096143241 557170135 /nfs/dbraw/zinc/17/01/35/557170135.db2.gz MFTNUBZKLMYBNG-JOCHJYFZSA-N 1 2 441.578 3.457 40 0 IGABLO O=C(Nc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1F)c1ccccc1Cl ZINC000008810469 557172797 /nfs/dbraw/zinc/17/27/97/557172797.db2.gz YHSVDWGGXURXPU-UHFFFAOYSA-N 1 2 436.896 3.297 40 0 IGABLO O=C(Nc1ccccc1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251421 557188627 /nfs/dbraw/zinc/18/86/27/557188627.db2.gz KTLQMUFGFPMKHF-CPJSRVTESA-N 1 2 433.556 3.358 40 0 IGABLO COc1cccc(-c2nc(-c3noc4ccc(C(=O)NCC[NH+]5CCOCC5)cc43)co2)c1 ZINC000096266495 557192432 /nfs/dbraw/zinc/19/24/32/557192432.db2.gz PVQRVIVVLFVHTK-UHFFFAOYSA-N 1 2 448.479 3.220 40 0 IGABLO CC(C)C[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057670483 557256665 /nfs/dbraw/zinc/25/66/65/557256665.db2.gz RWLAXZHITDBUIU-PKOBYXMFSA-N 1 2 441.605 3.371 40 0 IGABLO Cc1ccc([NH+]2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1 ZINC000219861699 557270653 /nfs/dbraw/zinc/27/06/53/557270653.db2.gz SEFSGGCMJJZLQF-UHFFFAOYSA-N 1 2 441.597 3.053 40 0 IGABLO COC(=O)[C@]1(CCSC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000020150625 557516180 /nfs/dbraw/zinc/51/61/80/557516180.db2.gz FFKNXVBTRJYGAF-UECWXEIQSA-N 1 2 438.549 3.110 40 0 IGABLO COC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000020150582 557516227 /nfs/dbraw/zinc/51/62/27/557516227.db2.gz XRDFBFRVSINNEM-IAGYGMIVSA-N 1 2 448.541 3.002 40 0 IGABLO CCCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000020150655 557516288 /nfs/dbraw/zinc/51/62/88/557516288.db2.gz OXZUZPBRMZLICA-SMTRIPRVSA-N 1 2 436.508 3.253 40 0 IGABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CN(C(=O)CCc3[nH]nc4c3CCCC4)CCO2)n1 ZINC000257210798 568669995 /nfs/dbraw/zinc/66/99/95/568669995.db2.gz BWFRAVJQVPQECB-HSZRJFAPSA-N 1 2 446.555 3.169 40 0 IGABLO CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000257274099 568699420 /nfs/dbraw/zinc/69/94/20/568699420.db2.gz NJOAYTBLZSGNEP-UHFFFAOYSA-N 1 2 445.567 3.321 40 0 IGABLO COc1ccc2c(c1)C=C(C(=O)N1CCO[C@H](c3cccc(-c4ccc(N)[nH+]c4)n3)C1)CO2 ZINC000257299978 568711453 /nfs/dbraw/zinc/71/14/53/568711453.db2.gz RSJJCLFWLOGJME-QHCPKHFHSA-N 1 2 444.491 3.110 40 0 IGABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccccc1N1CCCCC1)CC2 ZINC000257312436 568716680 /nfs/dbraw/zinc/71/66/80/568716680.db2.gz UNYGZCGLYCBAOZ-OAQYLSRUSA-N 1 2 448.615 3.403 40 0 IGABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccccc1N1CCCCC1)CC2 ZINC000257312436 568716681 /nfs/dbraw/zinc/71/66/81/568716681.db2.gz UNYGZCGLYCBAOZ-OAQYLSRUSA-N 1 2 448.615 3.403 40 0 IGABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccoc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306127241 568764678 /nfs/dbraw/zinc/76/46/78/568764678.db2.gz FSWQHKQMRPNBIA-RDPSFJRHSA-N 1 2 433.512 3.111 40 0 IGABLO O=C(NCCCn1cc[nH+]c1)c1nc(-c2ccn(Cc3ccccn3)c2)n2ccccc12 ZINC000306135053 568769024 /nfs/dbraw/zinc/76/90/24/568769024.db2.gz OGDRIKXVEMNLFF-UHFFFAOYSA-N 1 2 425.496 3.263 40 0 IGABLO OCCCNc1nc(NCCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329013613 568809297 /nfs/dbraw/zinc/80/92/97/568809297.db2.gz MRKNQFYGJRHTDS-UHFFFAOYSA-N 1 2 432.446 3.335 40 0 IGABLO CNc1nc(Nc2ccc(C(=O)OC)c(OC)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329058519 568810723 /nfs/dbraw/zinc/81/07/23/568810723.db2.gz WDPDEEOQKMESLE-UHFFFAOYSA-N 1 2 448.401 3.467 40 0 IGABLO OCCCNc1nc(NCc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329070948 568811129 /nfs/dbraw/zinc/81/11/29/568811129.db2.gz ZLZWOKJSXYLGEP-UHFFFAOYSA-N 1 2 436.409 3.432 40 0 IGABLO COCc1cc(C[N@@H+]2CCO[C@@H](c3ncncc3-c3noc(C)n3)C2)ccc1OC(C)C ZINC000019693764 569229164 /nfs/dbraw/zinc/22/91/64/569229164.db2.gz IBAPDFLGXZEGMR-OAQYLSRUSA-N 1 2 439.516 3.342 40 0 IGABLO COCc1cc(C[N@H+]2CCO[C@@H](c3ncncc3-c3noc(C)n3)C2)ccc1OC(C)C ZINC000019693764 569229166 /nfs/dbraw/zinc/22/91/66/569229166.db2.gz IBAPDFLGXZEGMR-OAQYLSRUSA-N 1 2 439.516 3.342 40 0 IGABLO O=C(NCCO)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000019702897 569232458 /nfs/dbraw/zinc/23/24/58/569232458.db2.gz XXGWHCSYWDVNDA-FQEVSTJZSA-N 1 2 448.548 3.140 40 0 IGABLO O=C(NCCO)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000019702897 569232460 /nfs/dbraw/zinc/23/24/60/569232460.db2.gz XXGWHCSYWDVNDA-FQEVSTJZSA-N 1 2 448.548 3.140 40 0 IGABLO COc1cccc(CNC(=O)c2cc3c(nc2N)CC[N@H+](Cc2cccc(C)c2OC)C3)c1 ZINC000019700868 569327384 /nfs/dbraw/zinc/32/73/84/569327384.db2.gz YLGAFGXJYCSPBL-UHFFFAOYSA-N 1 2 446.551 3.478 40 0 IGABLO COc1cccc(CNC(=O)c2cc3c(nc2N)CC[N@@H+](Cc2cccc(C)c2OC)C3)c1 ZINC000019700868 569327385 /nfs/dbraw/zinc/32/73/85/569327385.db2.gz YLGAFGXJYCSPBL-UHFFFAOYSA-N 1 2 446.551 3.478 40 0 IGABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000245230633 521306056 /nfs/dbraw/zinc/30/60/56/521306056.db2.gz VOLZWKVHVWQOJR-AYMMHLMVSA-N 1 2 430.501 3.439 40 0 IGABLO CC[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000022528344 521850967 /nfs/dbraw/zinc/85/09/67/521850967.db2.gz FDWFWPIEVPCONL-NRFANRHFSA-N 1 2 440.569 3.350 40 0 IGABLO CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000022523273 523784202 /nfs/dbraw/zinc/78/42/02/523784202.db2.gz JMCXPPYLIWRNCQ-HXUWFJFHSA-N 1 2 446.960 3.387 40 0 IGABLO COc1ccccc1C[NH+]1CCN([C@H](c2nnnn2C(C)(C)C)c2ccc(F)cc2)CC1 ZINC000035290719 524453269 /nfs/dbraw/zinc/45/32/69/524453269.db2.gz FQVDJEWQAFDLKJ-QFIPXVFZSA-N 1 2 438.551 3.483 40 0 IGABLO C[C@H]1Cn2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)c3c(Cl)ccc(c32)O1 ZINC000020926245 524999768 /nfs/dbraw/zinc/99/97/68/524999768.db2.gz SXTAPQNGVAWBGK-INIZCTEOSA-N 1 2 437.927 3.394 40 0 IGABLO CC(C)[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000013505145 535169570 /nfs/dbraw/zinc/16/95/70/535169570.db2.gz GGVLBKOWBFPEPL-JOCHJYFZSA-N 1 2 438.507 3.109 40 0 IGABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2cc(C)ccc2C)cc1 ZINC000408613795 555984081 /nfs/dbraw/zinc/98/40/81/555984081.db2.gz YFPHUBGQYIAEAP-UHFFFAOYSA-N 1 2 440.569 3.210 40 0 IGABLO Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)C2CCCCC2)c(C)c1 ZINC000408623507 555992358 /nfs/dbraw/zinc/99/23/58/555992358.db2.gz RSJAZTSSEJUEIQ-UHFFFAOYSA-N 1 2 446.617 3.338 40 0 IGABLO COc1ccc([C@H]2[C@@H]3CCC[C@H]([C@@H](c4ccc(OC)cc4)[N@H+]2C)C32NC(=O)NC2=O)cc1 ZINC000005618544 556060655 /nfs/dbraw/zinc/06/06/55/556060655.db2.gz VTJKPXDJRWVZTI-BWIXQKSYSA-N 1 2 435.524 3.426 40 0 IGABLO COCCN1c2ccc(Br)cc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635194 556540825 /nfs/dbraw/zinc/54/08/25/556540825.db2.gz XFNNOMBMIPEBQG-NRFANRHFSA-N 1 2 426.314 3.313 40 0 IGABLO CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000044883117 556674356 /nfs/dbraw/zinc/67/43/56/556674356.db2.gz HLXXWSAFPILANZ-JOCHJYFZSA-N 1 2 440.569 3.350 40 0 IGABLO COc1ccccc1-c1cccc(CC2(C(=O)NCC[NH+]3CCOCC3)CCOCC2)c1 ZINC000257255223 556712105 /nfs/dbraw/zinc/71/21/05/556712105.db2.gz KGPZMENGIYJSQU-UHFFFAOYSA-N 1 2 438.568 3.150 40 0 IGABLO Cc1cc(C)nc(SCc2nnc(SCC[NH+]3CCOCC3)n2-c2ccccc2)n1 ZINC000000925119 556752590 /nfs/dbraw/zinc/75/25/90/556752590.db2.gz BPKIPHAWNWTMAY-UHFFFAOYSA-N 1 2 442.614 3.391 40 0 IGABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](Cc1nnnn1C1CCCC1)C1CCCC1)OCO3 ZINC000001375772 556793339 /nfs/dbraw/zinc/79/33/39/556793339.db2.gz QXADNEGUPUIWAE-UHFFFAOYSA-N 1 2 436.516 3.303 40 0 IGABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](Cc1nnnn1C1CCCC1)C1CCCC1)OCO3 ZINC000001375772 556793343 /nfs/dbraw/zinc/79/33/43/556793343.db2.gz QXADNEGUPUIWAE-UHFFFAOYSA-N 1 2 436.516 3.303 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)[NH+]3CCCCC3)cc2c1 ZINC000001382153 556797261 /nfs/dbraw/zinc/79/72/61/556797261.db2.gz HBHRLDMVGNPNJP-HSZRJFAPSA-N 1 2 444.539 3.341 40 0 IGABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004848166 556824081 /nfs/dbraw/zinc/82/40/81/556824081.db2.gz QJHNPNSJRCFMRO-HXUWFJFHSA-N 1 2 426.565 3.160 40 0 IGABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004848166 556824085 /nfs/dbraw/zinc/82/40/85/556824085.db2.gz QJHNPNSJRCFMRO-HXUWFJFHSA-N 1 2 426.565 3.160 40 0 IGABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000006283173 556831690 /nfs/dbraw/zinc/83/16/90/556831690.db2.gz KPBYVXIWNNHZBC-HXOBKFHXSA-N 1 2 444.539 3.393 40 0 IGABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000006283173 556831692 /nfs/dbraw/zinc/83/16/92/556831692.db2.gz KPBYVXIWNNHZBC-HXOBKFHXSA-N 1 2 444.539 3.393 40 0 IGABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)c(C)cc3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006321386 556832933 /nfs/dbraw/zinc/83/29/33/556832933.db2.gz PYIZRAIEPIDBHD-HSZRJFAPSA-N 1 2 444.539 3.374 40 0 IGABLO Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCCC3)c(=O)[nH]c2c1C ZINC000006442305 556835693 /nfs/dbraw/zinc/83/56/93/556835693.db2.gz XAVIXCXCJKNCIR-UGKGYDQZSA-N 1 2 436.560 3.276 40 0 IGABLO C[NH+]1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)C(C)(C)c3ccccc3F)nc2)CC1 ZINC000019708759 556870255 /nfs/dbraw/zinc/87/02/55/556870255.db2.gz VARWVVXKAMLIME-JOCHJYFZSA-N 1 2 438.547 3.250 40 0 IGABLO Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000408959864 556899730 /nfs/dbraw/zinc/89/97/30/556899730.db2.gz HDOXYOAJLMUNAB-JCMHNJIXSA-N 1 2 443.507 3.383 40 0 IGABLO COc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)ncc3S(C)(=O)=O)CC2)cc1 ZINC000072335861 556908747 /nfs/dbraw/zinc/90/87/47/556908747.db2.gz LECBPNDREMLHCI-UHFFFAOYSA-N 1 2 438.553 3.330 40 0 IGABLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000072353472 556926838 /nfs/dbraw/zinc/92/68/38/556926838.db2.gz QGIQVVNYVUVGPN-QGZVFWFLSA-N 1 2 426.546 3.437 40 0 IGABLO COc1ccc2c(C[N@@H+]3CCO[C@@H](c4c5cccnc5sc4C(N)=O)C3)cn(C)c2c1 ZINC000072370226 556934027 /nfs/dbraw/zinc/93/40/27/556934027.db2.gz KVGJKUDVBUCRSW-LJQANCHMSA-N 1 2 436.537 3.469 40 0 IGABLO COc1ccc2c(C[N@H+]3CCO[C@@H](c4c5cccnc5sc4C(N)=O)C3)cn(C)c2c1 ZINC000072370226 556934029 /nfs/dbraw/zinc/93/40/29/556934029.db2.gz KVGJKUDVBUCRSW-LJQANCHMSA-N 1 2 436.537 3.469 40 0 IGABLO CC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000020104835 556981640 /nfs/dbraw/zinc/98/16/40/556981640.db2.gz HDGZTCZPWSDUCE-LJQANCHMSA-N 1 2 446.960 3.387 40 0 IGABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)cc2c1 ZINC000006197035 557149415 /nfs/dbraw/zinc/14/94/15/557149415.db2.gz TUOFOWQMMOPBLI-JOCHJYFZSA-N 1 2 430.512 3.147 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006198311 557149633 /nfs/dbraw/zinc/14/96/33/557149633.db2.gz NNVBDNAILXJBKX-DKZVUGQWSA-N 1 2 436.560 3.077 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006198311 557149637 /nfs/dbraw/zinc/14/96/37/557149637.db2.gz NNVBDNAILXJBKX-DKZVUGQWSA-N 1 2 436.560 3.077 40 0 IGABLO CCCCn1nc(C)c2c1nc(C)cc2C(=O)N1CC[NH+](Cc2cn(CC)nc2C)CC1 ZINC000017101629 557226910 /nfs/dbraw/zinc/22/69/10/557226910.db2.gz WQKKIQVJSMPFQF-UHFFFAOYSA-N 1 2 437.592 3.331 40 0 IGABLO CCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000012498124 557245353 /nfs/dbraw/zinc/24/53/53/557245353.db2.gz OKOQWIQBVSTCSX-QPXQOZNCSA-N 1 2 440.521 3.113 40 0 IGABLO CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057670482 557256545 /nfs/dbraw/zinc/25/65/45/557256545.db2.gz RWLAXZHITDBUIU-HKUYNNGSSA-N 1 2 441.605 3.371 40 0 IGABLO CC(C)C[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057670485 557256670 /nfs/dbraw/zinc/25/66/70/557256670.db2.gz RWLAXZHITDBUIU-IEBWSBKVSA-N 1 2 441.605 3.371 40 0 IGABLO COC(=O)[C@@]1(CCSC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000100421456 557260479 /nfs/dbraw/zinc/26/04/79/557260479.db2.gz FFKNXVBTRJYGAF-KTIHBUSBSA-N 1 2 438.549 3.110 40 0 IGABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1CC[NH+]1CCOCC1 ZINC000223163297 557440585 /nfs/dbraw/zinc/44/05/85/557440585.db2.gz YFUXRVPWEKHOFK-GOTSBHOMSA-N 1 2 433.581 3.177 40 0 IGABLO O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015345073 557461373 /nfs/dbraw/zinc/46/13/73/557461373.db2.gz WWCNGPZJFAZQEA-UHFFFAOYSA-N 1 2 447.988 3.083 40 0 IGABLO Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224319741 557590825 /nfs/dbraw/zinc/59/08/25/557590825.db2.gz XUOAOHUEOWXJAV-UHFFFAOYSA-N 1 2 446.960 3.490 40 0 IGABLO O=C(Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1(c2ccccc2F)CCOCC1 ZINC000225571336 557744706 /nfs/dbraw/zinc/74/47/06/557744706.db2.gz PCUMQNFLMQOOJH-UHFFFAOYSA-N 1 2 428.504 3.224 40 0 IGABLO COc1ccccc1[C@@H]1CN(C(=O)C2(C)CCN(C(=O)c3ccccc3)CC2)CC[N@@H+]1C ZINC000257221193 568674920 /nfs/dbraw/zinc/67/49/20/568674920.db2.gz DNXFJHPQRORLFS-QFIPXVFZSA-N 1 2 435.568 3.453 40 0 IGABLO COc1ccccc1[C@@H]1CN(C(=O)C2(C)CCN(C(=O)c3ccccc3)CC2)CC[N@H+]1C ZINC000257221193 568674922 /nfs/dbraw/zinc/67/49/22/568674922.db2.gz DNXFJHPQRORLFS-QFIPXVFZSA-N 1 2 435.568 3.453 40 0 IGABLO Cc1n[nH]cc1C[N@@H+]1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000257267850 568696610 /nfs/dbraw/zinc/69/66/10/568696610.db2.gz MJADYDNRAOSIFL-HSZRJFAPSA-N 1 2 446.979 3.424 40 0 IGABLO Cc1n[nH]cc1C[N@H+]1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000257267850 568696613 /nfs/dbraw/zinc/69/66/13/568696613.db2.gz MJADYDNRAOSIFL-HSZRJFAPSA-N 1 2 446.979 3.424 40 0 IGABLO COc1cccc(CC(=O)N2CCO[C@H](c3cc(Nc4nnc(C)s4)cc(C)[nH+]3)C2)c1 ZINC000257268186 568696712 /nfs/dbraw/zinc/69/67/12/568696712.db2.gz MKPXSMGQGIQEJP-FQEVSTJZSA-N 1 2 439.541 3.445 40 0 IGABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1cn(C)c3ccc(F)cc13)CC2 ZINC000257298995 568710750 /nfs/dbraw/zinc/71/07/50/568710750.db2.gz ROFSBWXJHRSYJM-MRXNPFEDSA-N 1 2 436.535 3.043 40 0 IGABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1cn(C)c3ccc(F)cc13)CC2 ZINC000257298995 568710752 /nfs/dbraw/zinc/71/07/52/568710752.db2.gz ROFSBWXJHRSYJM-MRXNPFEDSA-N 1 2 436.535 3.043 40 0 IGABLO Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCC[C@@H](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000257329066 568723961 /nfs/dbraw/zinc/72/39/61/568723961.db2.gz XIGFJGYXGQBKTF-KRWDZBQOSA-N 1 2 441.963 3.314 40 0 IGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000261365443 568733410 /nfs/dbraw/zinc/73/34/10/568733410.db2.gz SILJHBSDHYEVEF-NRFANRHFSA-O 1 2 439.517 3.179 40 0 IGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC(C)=O)cc1 ZINC000261364448 568733520 /nfs/dbraw/zinc/73/35/20/568733520.db2.gz LOTAFAGZERDBCX-NRFANRHFSA-O 1 2 437.501 3.087 40 0 IGABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(OC)c(O)c(OC)c1 ZINC000261366348 568733885 /nfs/dbraw/zinc/73/38/85/568733885.db2.gz ZADXHNXZUMXHCA-IBGZPJMESA-O 1 2 427.506 3.334 40 0 IGABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccco3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306123614 568762711 /nfs/dbraw/zinc/76/27/11/568762711.db2.gz ARZXHQOYBZWYIE-CYFREDJKSA-N 1 2 433.512 3.111 40 0 IGABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@H+](Cc3cnn(C(C)C)c3)C[C@@H]1S2(=O)=O ZINC000306123542 568762844 /nfs/dbraw/zinc/76/28/44/568762844.db2.gz APRQZJZQZZIACW-UNMCSNQZSA-N 1 2 438.553 3.290 40 0 IGABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3cnn(C(C)C)c3)C[C@@H]1S2(=O)=O ZINC000306123542 568762845 /nfs/dbraw/zinc/76/28/45/568762845.db2.gz APRQZJZQZZIACW-UNMCSNQZSA-N 1 2 438.553 3.290 40 0 IGABLO COc1ncccc1C[N@@H+]1CCN(C)[C@H](c2nnn3cc(-c4cccc(F)c4)ccc23)C1 ZINC000306144645 568773861 /nfs/dbraw/zinc/77/38/61/568773861.db2.gz ZKWBSWPJTCGRLG-QFIPXVFZSA-N 1 2 432.503 3.428 40 0 IGABLO COc1ncccc1C[N@H+]1CCN(C)[C@H](c2nnn3cc(-c4cccc(F)c4)ccc23)C1 ZINC000306144645 568773863 /nfs/dbraw/zinc/77/38/63/568773863.db2.gz ZKWBSWPJTCGRLG-QFIPXVFZSA-N 1 2 432.503 3.428 40 0 IGABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)[C@@H]5CC=CCC5)C4)nc3C2)cc1 ZINC000247908513 569206405 /nfs/dbraw/zinc/20/64/05/569206405.db2.gz TXCSJADYHKULRI-UXHICEINSA-N 1 2 448.567 3.421 40 0 IGABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)[C@@H]5CC=CCC5)C4)nc3C2)cc1 ZINC000247908513 569206406 /nfs/dbraw/zinc/20/64/06/569206406.db2.gz TXCSJADYHKULRI-UXHICEINSA-N 1 2 448.567 3.421 40 0 IGABLO COc1cccc2cc(C[N@@H+]3CCO[C@@H](c4nc(N(C)C)ncc4-c4cncnc4)C3)oc21 ZINC000019692970 569228506 /nfs/dbraw/zinc/22/85/06/569228506.db2.gz DPHUYLBHLXTETE-OAQYLSRUSA-N 1 2 446.511 3.328 40 0 IGABLO COc1cccc2cc(C[N@H+]3CCO[C@@H](c4nc(N(C)C)ncc4-c4cncnc4)C3)oc21 ZINC000019692970 569228507 /nfs/dbraw/zinc/22/85/07/569228507.db2.gz DPHUYLBHLXTETE-OAQYLSRUSA-N 1 2 446.511 3.328 40 0 IGABLO Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCC[N@@H+]2CC(=O)NC2CCCCC2)n1 ZINC000019766697 569239611 /nfs/dbraw/zinc/23/96/11/569239611.db2.gz JIRFATUVZSDNOU-NRFANRHFSA-N 1 2 427.593 3.433 40 0 IGABLO Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCC[N@H+]2CC(=O)NC2CCCCC2)n1 ZINC000019766697 569239612 /nfs/dbraw/zinc/23/96/12/569239612.db2.gz JIRFATUVZSDNOU-NRFANRHFSA-N 1 2 427.593 3.433 40 0 IGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1ccc2c(c1)OCO2 ZINC000261362501 569315629 /nfs/dbraw/zinc/31/56/29/569315629.db2.gz DMDCCKHVSOGTJO-NRFANRHFSA-O 1 2 437.501 3.281 40 0 IGABLO COc1ccccc1C[N@@H+]1CCO[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019759357 569328771 /nfs/dbraw/zinc/32/87/71/569328771.db2.gz XZVKIGBFLMBOCS-VWLOTQADSA-N 1 2 447.535 3.289 40 0 IGABLO COc1ccccc1C[N@H+]1CCO[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019759357 569328772 /nfs/dbraw/zinc/32/87/72/569328772.db2.gz XZVKIGBFLMBOCS-VWLOTQADSA-N 1 2 447.535 3.289 40 0 IGABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1OCC ZINC000095534517 569374645 /nfs/dbraw/zinc/37/46/45/569374645.db2.gz SFHKYYPWWFOVRX-LJQANCHMSA-N 1 2 428.489 3.343 40 0 IGABLO CC[C@@H](c1nnnn1CCc1ccc(OC)c(OC)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013505536 132348863 /nfs/dbraw/zinc/34/88/63/132348863.db2.gz QICHMQBYILQHAV-NRFANRHFSA-N 1 2 436.560 3.206 40 0 IGABLO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000012496930 523838209 /nfs/dbraw/zinc/83/82/09/523838209.db2.gz KSHIPPBAPXPXOS-PDFGSZSQSA-N 1 2 446.528 3.353 40 0 IGABLO C[C@H]1CCC[N@@H+]([C@@H](c2nnnn2C2CCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000012713265 524105083 /nfs/dbraw/zinc/10/50/83/524105083.db2.gz BGTJHNVUOGMCFK-LHSJRXKWSA-N 1 2 436.516 3.180 40 0 IGABLO C[C@H]1CCC[N@H+]([C@@H](c2nnnn2C2CCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000012713265 524105091 /nfs/dbraw/zinc/10/50/91/524105091.db2.gz BGTJHNVUOGMCFK-LHSJRXKWSA-N 1 2 436.516 3.180 40 0 IGABLO Cc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2cc1C ZINC000012469989 525648701 /nfs/dbraw/zinc/64/87/01/525648701.db2.gz DGRKTYCQXQIGKH-QOEFQVSFSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2cc1C ZINC000012469989 525648713 /nfs/dbraw/zinc/64/87/13/525648713.db2.gz DGRKTYCQXQIGKH-QOEFQVSFSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1nc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)ncc1C(=O)N1CCCCC1 ZINC000072345578 527076163 /nfs/dbraw/zinc/07/61/63/527076163.db2.gz XVMIRHUELDNZPJ-SFHVURJKSA-N 1 2 439.535 3.368 40 0 IGABLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)ncc1C(=O)N1CCCCC1 ZINC000072345578 527076168 /nfs/dbraw/zinc/07/61/68/527076168.db2.gz XVMIRHUELDNZPJ-SFHVURJKSA-N 1 2 439.535 3.368 40 0 IGABLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)[C@@H](O)[C@H]1O[C@@H](c2ccccc2)OC[C@H]1O ZINC000005496241 556056539 /nfs/dbraw/zinc/05/65/39/556056539.db2.gz XMZAIGUGIRWAQM-XDZXDJIYSA-N 1 2 447.531 3.094 40 0 IGABLO Cc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000006321116 556084937 /nfs/dbraw/zinc/08/49/37/556084937.db2.gz DGRKTYCQXQIGKH-LYLBAIIYSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000006321116 556084938 /nfs/dbraw/zinc/08/49/38/556084938.db2.gz DGRKTYCQXQIGKH-LYLBAIIYSA-N 1 2 436.560 3.132 40 0 IGABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)[NH+]1CCCCC1)OCO3 ZINC000006445222 556088197 /nfs/dbraw/zinc/08/81/97/556088197.db2.gz FTBGUOMOHJCDHQ-OAQYLSRUSA-N 1 2 436.516 3.324 40 0 IGABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000030847970 556507886 /nfs/dbraw/zinc/50/78/86/556507886.db2.gz FKFJXCYWYOPVCR-UHFFFAOYSA-N 1 2 444.944 3.240 40 0 IGABLO O=C(C1CC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C[C@@H]2CC=CCC2)CC4)CC1 ZINC000019292158 556732227 /nfs/dbraw/zinc/73/22/27/556732227.db2.gz VVWKQFSZXHIKHM-QGZVFWFLSA-N 1 2 435.572 3.265 40 0 IGABLO O=C(C1CC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C[C@@H]2CC=CCC2)CC4)CC1 ZINC000019292158 556732229 /nfs/dbraw/zinc/73/22/29/556732229.db2.gz VVWKQFSZXHIKHM-QGZVFWFLSA-N 1 2 435.572 3.265 40 0 IGABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)c5ccccc5F)CC4)[nH]n3c(=O)c2C1 ZINC000019448151 556757383 /nfs/dbraw/zinc/75/73/83/556757383.db2.gz YOTNXAUMZCGDLP-UHFFFAOYSA-N 1 2 437.519 3.360 40 0 IGABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)c5ccccc5F)CC4)[nH]n3c(=O)c2C1 ZINC000019448151 556757386 /nfs/dbraw/zinc/75/73/86/556757386.db2.gz YOTNXAUMZCGDLP-UHFFFAOYSA-N 1 2 437.519 3.360 40 0 IGABLO CC(C)NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC000019448977 556758947 /nfs/dbraw/zinc/75/89/47/556758947.db2.gz JWSPHFHMHZXCIE-FNZWTVRRSA-N 1 2 445.567 3.492 40 0 IGABLO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)cc3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006409915 556835224 /nfs/dbraw/zinc/83/52/24/556835224.db2.gz WHGKUFCSCVJNNX-QFIPXVFZSA-N 1 2 430.512 3.065 40 0 IGABLO CCn1nc(C)c(C[N@@H+]2CCO[C@H](c3c4ccccc4sc3C(=O)NCCO)C2)c1C ZINC000019697625 556855114 /nfs/dbraw/zinc/85/51/14/556855114.db2.gz NDEDPWRTTUQTSH-IBGZPJMESA-N 1 2 442.585 3.030 40 0 IGABLO CCn1nc(C)c(C[N@H+]2CCO[C@H](c3c4ccccc4sc3C(=O)NCCO)C2)c1C ZINC000019697625 556855116 /nfs/dbraw/zinc/85/51/16/556855116.db2.gz NDEDPWRTTUQTSH-IBGZPJMESA-N 1 2 442.585 3.030 40 0 IGABLO Cc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)cc1 ZINC000019708776 556870176 /nfs/dbraw/zinc/87/01/76/556870176.db2.gz FZROAMQZCCCGND-QHCPKHFHSA-N 1 2 434.584 3.419 40 0 IGABLO COc1ccc(CCC(=O)N2CCCC[C@H]2c2nc3c(c(N(C)C)n2)C[N@H+](C)CC3)cc1 ZINC000019710426 556873128 /nfs/dbraw/zinc/87/31/28/556873128.db2.gz UKQXWKGZADGGNB-QFIPXVFZSA-N 1 2 437.588 3.226 40 0 IGABLO COc1ccc(CCC(=O)N2CCCC[C@H]2c2nc3c(c(N(C)C)n2)C[N@@H+](C)CC3)cc1 ZINC000019710426 556873132 /nfs/dbraw/zinc/87/31/32/556873132.db2.gz UKQXWKGZADGGNB-QFIPXVFZSA-N 1 2 437.588 3.226 40 0 IGABLO COc1ccccc1CNc1[nH]nc2nc([C@@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)ccc21 ZINC000019742881 556886746 /nfs/dbraw/zinc/88/67/46/556886746.db2.gz FTQGWAOUGWSCAL-LJQANCHMSA-N 1 2 448.571 3.380 40 0 IGABLO COc1ccccc1CNc1[nH]nc2nc([C@@H]3CCC[N@@H+](CC(=O)N4CCCC4)C3)ccc21 ZINC000019742881 556886748 /nfs/dbraw/zinc/88/67/48/556886748.db2.gz FTQGWAOUGWSCAL-LJQANCHMSA-N 1 2 448.571 3.380 40 0 IGABLO CCn1c(C)[nH+]c2cc(NC(=O)c3ccc(=O)n(CC(=O)NCc4ccccc4)c3)ccc21 ZINC000019750904 556894856 /nfs/dbraw/zinc/89/48/56/556894856.db2.gz OWTCSTMUVPZYCW-UHFFFAOYSA-N 1 2 443.507 3.095 40 0 IGABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1c1ncc(C(=O)N2CCCCC2)c(C)n1 ZINC000019756194 556899691 /nfs/dbraw/zinc/89/96/91/556899691.db2.gz CLMNFZRTSGBNFL-QFIPXVFZSA-N 1 2 446.555 3.433 40 0 IGABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 ZINC000408962605 556901633 /nfs/dbraw/zinc/90/16/33/556901633.db2.gz ZRKSGNYXZNJWES-STZFKDTASA-N 1 2 447.470 3.214 40 0 IGABLO CC(C)NC(=O)c1cc([C@H]2C[N@H+](Cc3cccnc3N(C)C)CCO2)nc2ccccc21 ZINC000019762413 556906950 /nfs/dbraw/zinc/90/69/50/556906950.db2.gz BIRBRJOETRDCFP-HSZRJFAPSA-N 1 2 433.556 3.408 40 0 IGABLO CC(C)NC(=O)c1cc([C@H]2C[N@@H+](Cc3cccnc3N(C)C)CCO2)nc2ccccc21 ZINC000019762413 556906952 /nfs/dbraw/zinc/90/69/52/556906952.db2.gz BIRBRJOETRDCFP-HSZRJFAPSA-N 1 2 433.556 3.408 40 0 IGABLO CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000072335854 556908845 /nfs/dbraw/zinc/90/88/45/556908845.db2.gz UTEKDGFTYSVPIR-UHFFFAOYSA-N 1 2 426.517 3.461 40 0 IGABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000020110906 556985588 /nfs/dbraw/zinc/98/55/88/556985588.db2.gz AZNQVQSUKQQXOV-UHFFFAOYSA-N 1 2 444.944 3.240 40 0 IGABLO Cc1noc(C)c1C(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000585107345 557038352 /nfs/dbraw/zinc/03/83/52/557038352.db2.gz SZQHRBOKCKXVNH-YADARESESA-N 1 2 439.560 3.327 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006148972 557146430 /nfs/dbraw/zinc/14/64/30/557146430.db2.gz ZEDHLMMMNKAJOZ-HSZRJFAPSA-N 1 2 444.539 3.393 40 0 IGABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1CC[NH+]1CCOCC1 ZINC000223162644 557440390 /nfs/dbraw/zinc/44/03/90/557440390.db2.gz ZOKZKKGPGHWKFM-FCHUYYIVSA-N 1 2 425.602 3.303 40 0 IGABLO Cc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000223287650 557456094 /nfs/dbraw/zinc/45/60/94/557456094.db2.gz DYDWAVOTKSRZOB-UHFFFAOYSA-N 1 2 441.597 3.382 40 0 IGABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2N2CC[NH+](C)CC2)cc1 ZINC000223423230 557470479 /nfs/dbraw/zinc/47/04/79/557470479.db2.gz JVVODYQKETYTCD-UHFFFAOYSA-N 1 2 431.558 3.113 40 0 IGABLO COC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000020150585 557516295 /nfs/dbraw/zinc/51/62/95/557516295.db2.gz XRDFBFRVSINNEM-BIZBXSGISA-N 1 2 448.541 3.002 40 0 IGABLO CN(c1ccc(C(=O)N2CC[NH+](C)CC2)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224246339 557580932 /nfs/dbraw/zinc/58/09/32/557580932.db2.gz HSAKCSYMHPLHSG-UHFFFAOYSA-N 1 2 442.368 3.206 40 0 IGABLO CN(Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224434935 557605998 /nfs/dbraw/zinc/60/59/98/557605998.db2.gz CTCVXEQTPXJCRB-UHFFFAOYSA-N 1 2 446.960 3.177 40 0 IGABLO CCOCc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1OCC ZINC000224699409 557641768 /nfs/dbraw/zinc/64/17/68/557641768.db2.gz GUXIFJHWEPHFRK-UHFFFAOYSA-N 1 2 426.513 3.309 40 0 IGABLO COc1cc(C[NH+]2CCN(C(=S)Nc3ccc(C(C)=O)cc3)CC2)cc(OC)c1OC ZINC000225224217 557702249 /nfs/dbraw/zinc/70/22/49/557702249.db2.gz QJOMDFZGGQXRTC-UHFFFAOYSA-N 1 2 443.569 3.430 40 0 IGABLO O=C(Cn1ccc(=O)c2cc(Br)ccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225730114 557770066 /nfs/dbraw/zinc/77/00/66/557770066.db2.gz VQLZPCDVSDTUSE-UHFFFAOYSA-N 1 2 440.341 3.108 40 0 IGABLO COc1ccc2c(c1)[C@H]1OCC3(CCN(C(=O)Cn4cc[nH+]c4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257209512 568669473 /nfs/dbraw/zinc/66/94/73/568669473.db2.gz BQSKTEVEJVPDAY-SIKLNZKXSA-N 1 2 425.529 3.449 40 0 IGABLO Cc1nc(N)cc(C2(C)CCN(C(=O)C3(Cc4ccccc4F)CCOCC3)CC2)[nH+]1 ZINC000257239586 568683405 /nfs/dbraw/zinc/68/34/05/568683405.db2.gz HPZXEGQGLXVCRC-UHFFFAOYSA-N 1 2 426.536 3.426 40 0 IGABLO CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2cccc(Nc3cc(C)[nH+]c(C)n3)c2)C1 ZINC000257243252 568685257 /nfs/dbraw/zinc/68/52/57/568685257.db2.gz IGBDTQHLZORSQS-VWLOTQADSA-N 1 2 444.539 3.152 40 0 IGABLO Cc1nc(CC(=O)N2CCO[C@@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)[nH+]3)C2)cs1 ZINC000257263011 568694776 /nfs/dbraw/zinc/69/47/76/568694776.db2.gz LNZLLETVKUTDFX-HXUWFJFHSA-N 1 2 438.557 3.448 40 0 IGABLO C[N@H+](CC(=O)N1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1)Cc1ccccc1F ZINC000257277933 568700925 /nfs/dbraw/zinc/70/09/25/568700925.db2.gz OABSIIIRFSTHTQ-NRFANRHFSA-N 1 2 435.503 3.391 40 0 IGABLO C[N@@H+](CC(=O)N1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1)Cc1ccccc1F ZINC000257277933 568700929 /nfs/dbraw/zinc/70/09/29/568700929.db2.gz OABSIIIRFSTHTQ-NRFANRHFSA-N 1 2 435.503 3.391 40 0 IGABLO O=C(c1cccc(Oc2ncccn2)c1)N1CCOC[C@@H](Cc2ccc3[nH+]ccn3c2)C1 ZINC000257302640 568712523 /nfs/dbraw/zinc/71/25/23/568712523.db2.gz SDRFSHDVVCDZES-IBGZPJMESA-N 1 2 429.480 3.248 40 0 IGABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CN(CC(=O)N3CCCc4ccccc43)CCO2)n1 ZINC000257322611 568721052 /nfs/dbraw/zinc/72/10/52/568721052.db2.gz WGRQZVVNULAOLK-XMMPIXPASA-N 1 2 443.551 3.387 40 0 IGABLO CC1(C)C=C(CC(=O)N2CCO[C@H](c3cccc(Nc4nncs4)n3)C2)CC(C)(C)[NH2+]1 ZINC000257344717 568730411 /nfs/dbraw/zinc/73/04/11/568730411.db2.gz ZYKDOBNTVULCJU-KRWDZBQOSA-N 1 2 442.589 3.444 40 0 IGABLO CCOc1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1OC ZINC000261366196 568733757 /nfs/dbraw/zinc/73/37/57/568733757.db2.gz XWIYKCZPGZMZCF-NRFANRHFSA-O 1 2 439.517 3.179 40 0 IGABLO CCOc1ccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1OC ZINC000261366197 568733878 /nfs/dbraw/zinc/73/38/78/568733878.db2.gz XWIYKCZPGZMZCF-OAQYLSRUSA-O 1 2 439.517 3.179 40 0 IGABLO CNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000019700392 568740512 /nfs/dbraw/zinc/74/05/12/568740512.db2.gz WMLSCYWYPZUYJL-UHFFFAOYSA-N 1 2 430.552 3.456 40 0 IGABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@H+](Cc3scnc3C)C[C@H]1S2(=O)=O ZINC000306128430 568765124 /nfs/dbraw/zinc/76/51/24/568765124.db2.gz HADVFUMKJWEVKY-FXAWDEMLSA-N 1 2 427.551 3.277 40 0 IGABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3scnc3C)C[C@H]1S2(=O)=O ZINC000306128430 568765125 /nfs/dbraw/zinc/76/51/25/568765125.db2.gz HADVFUMKJWEVKY-FXAWDEMLSA-N 1 2 427.551 3.277 40 0 IGABLO COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000022928558 569217569 /nfs/dbraw/zinc/21/75/69/569217569.db2.gz RQFFDXWFTNEDLK-DEOSSOPVSA-N 1 2 447.587 3.489 40 0 IGABLO O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349394 569226434 /nfs/dbraw/zinc/22/64/34/569226434.db2.gz XEKNCUAECOATKY-VGOFRKELSA-N 1 2 436.531 3.487 40 0 IGABLO O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019349394 569226435 /nfs/dbraw/zinc/22/64/35/569226435.db2.gz XEKNCUAECOATKY-VGOFRKELSA-N 1 2 436.531 3.487 40 0 IGABLO CC(C)Oc1cccc(C[N@@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1 ZINC000019692731 569228326 /nfs/dbraw/zinc/22/83/26/569228326.db2.gz CUIXHZRSEIWKJI-QFIPXVFZSA-N 1 2 434.544 3.360 40 0 IGABLO CC(C)Oc1cccc(C[N@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1 ZINC000019692731 569228327 /nfs/dbraw/zinc/22/83/27/569228327.db2.gz CUIXHZRSEIWKJI-QFIPXVFZSA-N 1 2 434.544 3.360 40 0 IGABLO CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2C[N@H+](Cc3cccnc3N(C)C)CCO2)n1 ZINC000019692957 569228482 /nfs/dbraw/zinc/22/84/82/569228482.db2.gz YARHSPKMIBDTSK-OAQYLSRUSA-N 1 2 436.535 3.383 40 0 IGABLO CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2C[N@@H+](Cc3cccnc3N(C)C)CCO2)n1 ZINC000019692957 569228483 /nfs/dbraw/zinc/22/84/83/569228483.db2.gz YARHSPKMIBDTSK-OAQYLSRUSA-N 1 2 436.535 3.383 40 0 IGABLO O=C(NCCO)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000019702898 569232446 /nfs/dbraw/zinc/23/24/46/569232446.db2.gz XXGWHCSYWDVNDA-HXUWFJFHSA-N 1 2 448.548 3.140 40 0 IGABLO O=C(NCCO)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000019702898 569232448 /nfs/dbraw/zinc/23/24/48/569232448.db2.gz XXGWHCSYWDVNDA-HXUWFJFHSA-N 1 2 448.548 3.140 40 0 IGABLO Cc1nn2c(nccc2[C@H]2CCN(C(=O)CCC3CCCC3)C2)c1C[NH+]1CCOCC1 ZINC000019707603 569234444 /nfs/dbraw/zinc/23/44/44/569234444.db2.gz TZELWTWPNNBMKD-FQEVSTJZSA-N 1 2 425.577 3.156 40 0 IGABLO COc1ccccc1C[N@@H+]1CCO[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019759355 569328737 /nfs/dbraw/zinc/32/87/37/569328737.db2.gz XZVKIGBFLMBOCS-RUZDIDTESA-N 1 2 447.535 3.289 40 0 IGABLO COc1ccccc1C[N@H+]1CCO[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019759355 569328738 /nfs/dbraw/zinc/32/87/38/569328738.db2.gz XZVKIGBFLMBOCS-RUZDIDTESA-N 1 2 447.535 3.289 40 0 IGABLO COc1c(C)cccc1C[N@@H+]1CCO[C@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 ZINC000019762368 569328900 /nfs/dbraw/zinc/32/89/00/569328900.db2.gz NJPOAEOOAASDNX-DEOSSOPVSA-N 1 2 449.551 3.190 40 0 IGABLO COc1c(C)cccc1C[N@H+]1CCO[C@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 ZINC000019762368 569328901 /nfs/dbraw/zinc/32/89/01/569328901.db2.gz NJPOAEOOAASDNX-DEOSSOPVSA-N 1 2 449.551 3.190 40 0 IGABLO CC1=C[C@@H](CNC(=O)CC(C)(C)C)[C@H](C(C)C)C[C@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000030880035 291354679 /nfs/dbraw/zinc/35/46/79/291354679.db2.gz FUEVHGALABADQL-FKBYEOEOSA-N 1 2 435.653 3.232 40 0 biogenic,in-vitro IGABLO COc1cc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(F)ccc4[nH]3)C2)cc(OC)c1OC ZINC000096112229 291357386 /nfs/dbraw/zinc/35/73/86/291357386.db2.gz MNNOVQHKSJIVMZ-QRWLVFNGSA-N 1 2 433.455 3.467 40 0 biogenic,in-vitro IGABLO COc1cc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(F)ccc4[nH]3)C2)cc(OC)c1OC ZINC000096112229 291357391 /nfs/dbraw/zinc/35/73/91/291357391.db2.gz MNNOVQHKSJIVMZ-QRWLVFNGSA-N 1 2 433.455 3.467 40 0 biogenic,in-vitro IGABLO CC[C@H](c1nnnn1CCc1ccc(OC)c(OC)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013505535 132348889 /nfs/dbraw/zinc/34/88/89/132348889.db2.gz QICHMQBYILQHAV-OAQYLSRUSA-N 1 2 436.560 3.206 40 0 IGABLO COc1cc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCC[C@H](O)C4)cc3)cc2c(OC)c1OC ZINC000013563083 132350042 /nfs/dbraw/zinc/35/00/42/132350042.db2.gz ZIOWCWXEAWIBON-SFHVURJKSA-N 1 2 439.512 3.127 40 0 IGABLO CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022928751 521373720 /nfs/dbraw/zinc/37/37/20/521373720.db2.gz USQPWOUGGKLDOU-HSZRJFAPSA-N 1 2 448.571 3.454 40 0 IGABLO COc1ccccc1C[NH+]1CCN([C@H](c2nnnn2C(C)(C)C)c2ccccc2F)CC1 ZINC000035290722 524452389 /nfs/dbraw/zinc/45/23/89/524452389.db2.gz NKNJERGFHVFJAR-QFIPXVFZSA-N 1 2 438.551 3.483 40 0 IGABLO COc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)[N@H+](C)C2)cc1 ZINC000020464411 524576515 /nfs/dbraw/zinc/57/65/15/524576515.db2.gz HXBRUQPKYVGPSC-RDJZCZTQSA-N 1 2 437.456 3.041 40 0 biogenic,in-vitro IGABLO COc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)[N@@H+](C)C2)cc1 ZINC000020464411 524576520 /nfs/dbraw/zinc/57/65/20/524576520.db2.gz HXBRUQPKYVGPSC-RDJZCZTQSA-N 1 2 437.456 3.041 40 0 biogenic,in-vitro IGABLO O=C(c1ccc(Cn2cc(Cl)cn2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020528472 526684886 /nfs/dbraw/zinc/68/48/86/526684886.db2.gz ARFLOXLSAPJALA-UHFFFAOYSA-N 1 2 438.915 3.272 40 0 IGABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cccc(C)c3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006443825 556087575 /nfs/dbraw/zinc/08/75/75/556087575.db2.gz MIIYUTPKHSREEQ-QFIPXVFZSA-N 1 2 430.512 3.065 40 0 IGABLO CCOc1cc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)[NH+]=C3N=CNN32)ccc1OC ZINC000408704527 556109919 /nfs/dbraw/zinc/10/99/19/556109919.db2.gz PAHHAXNLHFOLHV-NRFANRHFSA-N 1 2 435.484 3.274 40 0 IGABLO CCn1nc(C)c2c1nc(C)cc2C(=O)N1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000036612125 556506153 /nfs/dbraw/zinc/50/61/53/556506153.db2.gz CTSQBQACLJEDFA-UHFFFAOYSA-N 1 2 437.544 3.043 40 0 IGABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000030870355 556513488 /nfs/dbraw/zinc/51/34/88/556513488.db2.gz UPJTYQZPWVYXEG-UHFFFAOYSA-N 1 2 444.944 3.240 40 0 IGABLO CCn1ncc(C[NH+]2CCN(C(=O)c3ccccc3OCc3c(C)noc3C)CC2)c1C ZINC000036617850 556522642 /nfs/dbraw/zinc/52/26/42/556522642.db2.gz ZJZIZQLYYMLUAP-UHFFFAOYSA-N 1 2 437.544 3.353 40 0 IGABLO Cc1cccc(CC(=O)N2CCC(c3cc4nc5c(c(=O)n4[nH]3)C[N@H+](C(C)C)CC5)CC2)c1 ZINC000019234646 556718799 /nfs/dbraw/zinc/71/87/99/556718799.db2.gz CWXOMOXNFHCPQT-UHFFFAOYSA-N 1 2 447.583 3.459 40 0 IGABLO Cc1cccc(CC(=O)N2CCC(c3cc4nc5c(c(=O)n4[nH]3)C[N@@H+](C(C)C)CC5)CC2)c1 ZINC000019234646 556718802 /nfs/dbraw/zinc/71/88/02/556718802.db2.gz CWXOMOXNFHCPQT-UHFFFAOYSA-N 1 2 447.583 3.459 40 0 IGABLO COc1cccc([C@@H]2NC3=[NH+]CN(Cc4ccccn4)CN3c3nc4ccccc4n32)c1 ZINC000054123577 556728934 /nfs/dbraw/zinc/72/89/34/556728934.db2.gz GLMRCMQKQGFAAW-JOCHJYFZSA-N 1 2 425.496 3.183 40 0 IGABLO COc1cc(CNC(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)cc(OC)c1OC ZINC000019289980 556729827 /nfs/dbraw/zinc/72/98/27/556729827.db2.gz VJIRGWGZYAGNSK-QGZVFWFLSA-N 1 2 438.528 3.132 40 0 IGABLO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCC(c2[nH]ncc2C(=O)N2CCCCCC2)CC1 ZINC000019375367 556751299 /nfs/dbraw/zinc/75/12/99/556751299.db2.gz VAEMEYSZTPXSLI-UHFFFAOYSA-N 1 2 449.599 3.190 40 0 IGABLO O=C(C[N@H+]1CCc2ccccc2C1)N1CCC(c2[nH]ncc2C(=O)N2CCCCCC2)CC1 ZINC000019375367 556751301 /nfs/dbraw/zinc/75/13/01/556751301.db2.gz VAEMEYSZTPXSLI-UHFFFAOYSA-N 1 2 449.599 3.190 40 0 IGABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000001346624 556779953 /nfs/dbraw/zinc/77/99/53/556779953.db2.gz JBSZRIZVVWEGSA-UHFFFAOYSA-N 1 2 449.492 3.326 40 0 IGABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000006282880 556831315 /nfs/dbraw/zinc/83/13/15/556831315.db2.gz KTZUBIJWQRGCBQ-QFIPXVFZSA-N 1 2 430.512 3.147 40 0 IGABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)ccc3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000006409326 556834781 /nfs/dbraw/zinc/83/47/81/556834781.db2.gz PSYUKLMMJOVIJZ-HSZRJFAPSA-N 1 2 444.539 3.455 40 0 IGABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(C)cc3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000006410103 556835057 /nfs/dbraw/zinc/83/50/57/556835057.db2.gz PASNCZKXGOTYPW-HSZRJFAPSA-N 1 2 444.539 3.455 40 0 IGABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cccc(C)c3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000006443829 556836670 /nfs/dbraw/zinc/83/66/70/556836670.db2.gz DLZGGZVTDPMCTR-QHCPKHFHSA-N 1 2 444.539 3.455 40 0 IGABLO Cc1ccc2oc(=O)n(CC(=O)N3CCC[C@@H](c4ccc(-c5ccc(N)[nH+]c5)cn4)C3)c2c1 ZINC000019689211 556843961 /nfs/dbraw/zinc/84/39/61/556843961.db2.gz WOOUEEHJHBTDJP-LJQANCHMSA-N 1 2 443.507 3.348 40 0 IGABLO NC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000408843240 556869521 /nfs/dbraw/zinc/86/95/21/556869521.db2.gz SEGJLIRKWRALBU-UHFFFAOYSA-N 1 2 428.536 3.356 40 0 IGABLO CC(=O)N1CCC(c2nc3c(c(NCCOc4cccc(C)c4C)n2)C[N@H+](C)CC3)CC1 ZINC000019710512 556873815 /nfs/dbraw/zinc/87/38/15/556873815.db2.gz RWRCHYMUJMKUHA-UHFFFAOYSA-N 1 2 437.588 3.298 40 0 IGABLO CC(=O)N1CCC(c2nc3c(c(NCCOc4cccc(C)c4C)n2)C[N@@H+](C)CC3)CC1 ZINC000019710512 556873818 /nfs/dbraw/zinc/87/38/18/556873818.db2.gz RWRCHYMUJMKUHA-UHFFFAOYSA-N 1 2 437.588 3.298 40 0 IGABLO Cc1nc(N2CCCC2)cc(CC2CCN(C(=O)CCc3[nH]nc4c3CCCC4)CC2)[nH+]1 ZINC000019758801 556902500 /nfs/dbraw/zinc/90/25/00/556902500.db2.gz HWGVFVXZBQRCON-UHFFFAOYSA-N 1 2 436.604 3.401 40 0 IGABLO COc1ccc(OCCc2cc([C@H]3CCN(C(=O)C[NH+]4Cc5ccccc5C4)C3)[nH]n2)cc1 ZINC000072371504 556938932 /nfs/dbraw/zinc/93/89/32/556938932.db2.gz GUXNSIDVMBOJLU-NRFANRHFSA-N 1 2 446.551 3.372 40 0 IGABLO COc1ccccc1CNc1[nH]nc2nc([C@H]3CCCN(C(=O)C[NH+]4CCCC4)C3)ccc21 ZINC000072374476 556948070 /nfs/dbraw/zinc/94/80/70/556948070.db2.gz TWJHCAFHRLTUDW-IBGZPJMESA-N 1 2 448.571 3.380 40 0 IGABLO CC[N@@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)Nc1cccc(OC)c1)CC2 ZINC000096144975 557174083 /nfs/dbraw/zinc/17/40/83/557174083.db2.gz SZWDWAVJQGYVTH-UHFFFAOYSA-N 1 2 449.559 3.151 40 0 IGABLO CC[N@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)Nc1cccc(OC)c1)CC2 ZINC000096144975 557174085 /nfs/dbraw/zinc/17/40/85/557174085.db2.gz SZWDWAVJQGYVTH-UHFFFAOYSA-N 1 2 449.559 3.151 40 0 IGABLO CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000219249122 557232960 /nfs/dbraw/zinc/23/29/60/557232960.db2.gz HRQCPKKQPWADGC-UHFFFAOYSA-N 1 2 426.904 3.494 40 0 IGABLO COc1cccc(C[N@@H+]2Cc3ccccc3[C@@]23CO[C@H](C(=O)NCCc2ccncc2)C3)c1 ZINC000107181376 557336053 /nfs/dbraw/zinc/33/60/53/557336053.db2.gz XBLDZVJOJPZHBO-AHKZPQOWSA-N 1 2 443.547 3.449 40 0 IGABLO COc1cccc(C[N@H+]2Cc3ccccc3[C@@]23CO[C@H](C(=O)NCCc2ccncc2)C3)c1 ZINC000107181376 557336056 /nfs/dbraw/zinc/33/60/56/557336056.db2.gz XBLDZVJOJPZHBO-AHKZPQOWSA-N 1 2 443.547 3.449 40 0 IGABLO CC[N@H+](CCCNC(=O)CCn1cnc2c3cc(F)ccc3[nH]c2c1=O)c1ccccc1 ZINC000014001236 557417589 /nfs/dbraw/zinc/41/75/89/557417589.db2.gz QHZGELCWMQFGAQ-UHFFFAOYSA-N 1 2 435.503 3.440 40 0 IGABLO CC[N@@H+](CCCNC(=O)CCn1cnc2c3cc(F)ccc3[nH]c2c1=O)c1ccccc1 ZINC000014001236 557417593 /nfs/dbraw/zinc/41/75/93/557417593.db2.gz QHZGELCWMQFGAQ-UHFFFAOYSA-N 1 2 435.503 3.440 40 0 IGABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1CC[NH+]1CCOCC1 ZINC000223135082 557437123 /nfs/dbraw/zinc/43/71/23/557437123.db2.gz UZNSZGWXKWGSTK-FGZHOGPDSA-N 1 2 425.602 3.303 40 0 IGABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1CC[NH+]1CCOCC1 ZINC000223163176 557440360 /nfs/dbraw/zinc/44/03/60/557440360.db2.gz YFUXRVPWEKHOFK-XZOQPEGZSA-N 1 2 433.581 3.177 40 0 IGABLO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)c(Cl)c1Cl ZINC000223695719 557503317 /nfs/dbraw/zinc/50/33/17/557503317.db2.gz JVSZFHTVOOEUIP-UHFFFAOYSA-N 1 2 445.368 3.313 40 0 IGABLO O=C(c1ccc(F)cc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000015707335 560096723 /nfs/dbraw/zinc/09/67/23/560096723.db2.gz UQQAWIIAIWZGFW-KRWDZBQOSA-N 1 2 433.399 3.267 40 0 biogenic,in-vitro IGABLO O=C(c1ccc(F)cc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000015707335 560096724 /nfs/dbraw/zinc/09/67/24/560096724.db2.gz UQQAWIIAIWZGFW-KRWDZBQOSA-N 1 2 433.399 3.267 40 0 biogenic,in-vitro IGABLO CC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000010013877 562978205 /nfs/dbraw/zinc/97/82/05/562978205.db2.gz JFFUEURZPBXQEG-QFIPXVFZSA-N 1 2 447.539 3.096 40 0 IGABLO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000257200408 568665051 /nfs/dbraw/zinc/66/50/51/568665051.db2.gz ADEMKVHAGKTYLY-HSZRJFAPSA-N 1 2 440.931 3.256 40 0 IGABLO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000257200408 568665053 /nfs/dbraw/zinc/66/50/53/568665053.db2.gz ADEMKVHAGKTYLY-HSZRJFAPSA-N 1 2 440.931 3.256 40 0 IGABLO COc1cc(C)ccc1OCC(=O)N1CCO[C@H](c2cccc(-c3ccc(N)[nH+]c3)n2)C1 ZINC000257215435 568672237 /nfs/dbraw/zinc/67/22/37/568672237.db2.gz CQCLAJMCHSMJAI-QFIPXVFZSA-N 1 2 434.496 3.022 40 0 IGABLO COc1cccc(CC(=O)N2CCO[C@@H](c3cc(Nc4nnc(C)s4)cc(C)[nH+]3)C2)c1 ZINC000257268187 568696788 /nfs/dbraw/zinc/69/67/88/568696788.db2.gz MKPXSMGQGIQEJP-HXUWFJFHSA-N 1 2 439.541 3.445 40 0 IGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccccc3Cl)n(C)n2)C1 ZINC000257270987 568698042 /nfs/dbraw/zinc/69/80/42/568698042.db2.gz MWKORDDCYQRSIL-JOCHJYFZSA-N 1 2 429.952 3.310 40 0 IGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(CCOc3ccccc3Cl)n(C)n2)C1 ZINC000257270987 568698046 /nfs/dbraw/zinc/69/80/46/568698046.db2.gz MWKORDDCYQRSIL-JOCHJYFZSA-N 1 2 429.952 3.310 40 0 IGABLO CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)cc1CO ZINC000257280615 568702586 /nfs/dbraw/zinc/70/25/86/568702586.db2.gz OLOLMROIUMVBTK-QFIPXVFZSA-N 1 2 437.544 3.332 40 0 IGABLO CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)cc1CO ZINC000257280615 568702587 /nfs/dbraw/zinc/70/25/87/568702587.db2.gz OLOLMROIUMVBTK-QFIPXVFZSA-N 1 2 437.544 3.332 40 0 IGABLO Cc1nc2cc([C@H]3CC[N@H+](Cc4cccc(F)c4)C3)[nH]n2c(=O)c1CCC(=O)NC1CC1 ZINC000257282509 568703298 /nfs/dbraw/zinc/70/32/98/568703298.db2.gz OTZUKKQFOTYRDW-KRWDZBQOSA-N 1 2 437.519 3.083 40 0 IGABLO Cc1nc2cc([C@H]3CC[N@@H+](Cc4cccc(F)c4)C3)[nH]n2c(=O)c1CCC(=O)NC1CC1 ZINC000257282509 568703300 /nfs/dbraw/zinc/70/33/00/568703300.db2.gz OTZUKKQFOTYRDW-KRWDZBQOSA-N 1 2 437.519 3.083 40 0 IGABLO O=C(Nc1ccc2nccnc2c1)[C@@H]1C[N@H+](Cc2cccc(Oc3ncccn3)c2)CCO1 ZINC000257296216 568709565 /nfs/dbraw/zinc/70/95/65/568709565.db2.gz RBTBTSAOCSDPQK-QFIPXVFZSA-N 1 2 442.479 3.052 40 0 IGABLO O=C(Nc1ccc2nccnc2c1)[C@@H]1C[N@@H+](Cc2cccc(Oc3ncccn3)c2)CCO1 ZINC000257296216 568709567 /nfs/dbraw/zinc/70/95/67/568709567.db2.gz RBTBTSAOCSDPQK-QFIPXVFZSA-N 1 2 442.479 3.052 40 0 IGABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCOC[C@@H](Cc2cccc3cccnc32)C1 ZINC000257327390 568723169 /nfs/dbraw/zinc/72/31/69/568723169.db2.gz XBDNPNGHCOBJOD-NRFANRHFSA-N 1 2 445.563 3.398 40 0 IGABLO CCC(CC)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5C[C@H]5C)CC4)[nH]n3c(=O)c2C1 ZINC000253592333 569208949 /nfs/dbraw/zinc/20/89/49/569208949.db2.gz VBSFJYDJMRYICQ-CRAIPNDOSA-N 1 2 425.577 3.344 40 0 IGABLO CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5C[C@H]5C)CC4)[nH]n3c(=O)c2C1 ZINC000253592333 569208950 /nfs/dbraw/zinc/20/89/50/569208950.db2.gz VBSFJYDJMRYICQ-CRAIPNDOSA-N 1 2 425.577 3.344 40 0 IGABLO O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349410 569226591 /nfs/dbraw/zinc/22/65/91/569226591.db2.gz XPXDUMFHFALQQF-VGOFRKELSA-N 1 2 436.531 3.487 40 0 IGABLO O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019349410 569226593 /nfs/dbraw/zinc/22/65/93/569226593.db2.gz XPXDUMFHFALQQF-VGOFRKELSA-N 1 2 436.531 3.487 40 0 IGABLO CCN(CC)S(=O)(=O)N1CC[C@@H](c2nc3c(c(C)[nH+]2)CCCN3Cc2ccccc2)C1 ZINC000019707551 569234285 /nfs/dbraw/zinc/23/42/85/569234285.db2.gz FVNTTYVZTLYWOO-HXUWFJFHSA-N 1 2 443.617 3.114 40 0 IGABLO Cc1nn2c(nccc2[C@@H]2CCN(C(=O)CCC3CCCC3)C2)c1C[NH+]1CCOCC1 ZINC000019707602 569234419 /nfs/dbraw/zinc/23/44/19/569234419.db2.gz TZELWTWPNNBMKD-HXUWFJFHSA-N 1 2 425.577 3.156 40 0 IGABLO O=C1C[C@@H]([NH+]2CCN(c3ccccn3)CC2)C(=O)N1CC(c1ccccc1)c1ccccc1 ZINC000008830202 132295458 /nfs/dbraw/zinc/29/54/58/132295458.db2.gz XMXCPAZDXYLPCP-XMMPIXPASA-N 1 2 440.547 3.163 40 0 IGABLO CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000020456518 523784625 /nfs/dbraw/zinc/78/46/25/523784625.db2.gz HNDINMOLIGJAIB-OAQYLSRUSA-N 1 2 426.542 3.042 40 0 IGABLO CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000408679181 556073903 /nfs/dbraw/zinc/07/39/03/556073903.db2.gz VFXHERPEPNRSFL-UHFFFAOYSA-N 1 2 435.524 3.026 40 0 IGABLO Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1C ZINC000006442333 556087682 /nfs/dbraw/zinc/08/76/82/556087682.db2.gz OLLOJOVZGDEESM-LYLBAIIYSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1C ZINC000006442333 556087684 /nfs/dbraw/zinc/08/76/84/556087684.db2.gz OLLOJOVZGDEESM-LYLBAIIYSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@H]1CC[C@@H](C3)[N@@H+]1Cc1ccc(Oc2ncccn2)cc1 ZINC000019130168 556704132 /nfs/dbraw/zinc/70/41/32/556704132.db2.gz BZVOFOLHDNFRBB-MSOLQXFVSA-N 1 2 428.496 3.457 40 0 IGABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@H]1CC[C@@H](C3)[N@H+]1Cc1ccc(Oc2ncccn2)cc1 ZINC000019130168 556704135 /nfs/dbraw/zinc/70/41/35/556704135.db2.gz BZVOFOLHDNFRBB-MSOLQXFVSA-N 1 2 428.496 3.457 40 0 IGABLO O=C(c1ccncc1)N1CCc2c(=O)[nH]c([C@H]3CCCC[N@@H+]3Cc3cccs3)nc2C1 ZINC000019343494 556741434 /nfs/dbraw/zinc/74/14/34/556741434.db2.gz QTFGTHSQAJPNAX-HXUWFJFHSA-N 1 2 435.553 3.152 40 0 IGABLO O=C(c1ccncc1)N1CCc2c(=O)[nH]c([C@H]3CCCC[N@H+]3Cc3cccs3)nc2C1 ZINC000019343494 556741437 /nfs/dbraw/zinc/74/14/37/556741437.db2.gz QTFGTHSQAJPNAX-HXUWFJFHSA-N 1 2 435.553 3.152 40 0 IGABLO O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349404 556744294 /nfs/dbraw/zinc/74/42/94/556744294.db2.gz XPXDUMFHFALQQF-JTSKRJEESA-N 1 2 436.531 3.487 40 0 IGABLO O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019349404 556744296 /nfs/dbraw/zinc/74/42/96/556744296.db2.gz XPXDUMFHFALQQF-JTSKRJEESA-N 1 2 436.531 3.487 40 0 IGABLO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000096402889 556760384 /nfs/dbraw/zinc/76/03/84/556760384.db2.gz POZCJRCEFZTKLD-YTSMVRMISA-N 1 2 439.874 3.219 40 0 IGABLO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000096402889 556760388 /nfs/dbraw/zinc/76/03/88/556760388.db2.gz POZCJRCEFZTKLD-YTSMVRMISA-N 1 2 439.874 3.219 40 0 IGABLO CCC(CC)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5C[C@@H]5C)CC4)[nH]n3c(=O)c2C1 ZINC000019500286 556772359 /nfs/dbraw/zinc/77/23/59/556772359.db2.gz VBSFJYDJMRYICQ-MAUKXSAKSA-N 1 2 425.577 3.344 40 0 IGABLO CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5C[C@@H]5C)CC4)[nH]n3c(=O)c2C1 ZINC000019500286 556772363 /nfs/dbraw/zinc/77/23/63/556772363.db2.gz VBSFJYDJMRYICQ-MAUKXSAKSA-N 1 2 425.577 3.344 40 0 IGABLO COc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCN(c5ncccn5)CC4)cc3)cc2c1 ZINC000019563557 556804320 /nfs/dbraw/zinc/80/43/20/556804320.db2.gz PCYNOISPVZNQKG-UHFFFAOYSA-N 1 2 442.523 3.265 40 0 IGABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004847489 556823692 /nfs/dbraw/zinc/82/36/92/556823692.db2.gz UHGBCHUVTJLIQW-HXUWFJFHSA-N 1 2 426.565 3.222 40 0 IGABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004847489 556823693 /nfs/dbraw/zinc/82/36/93/556823693.db2.gz UHGBCHUVTJLIQW-HXUWFJFHSA-N 1 2 426.565 3.222 40 0 IGABLO Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000006321349 556833030 /nfs/dbraw/zinc/83/30/30/556833030.db2.gz DGRKTYCQXQIGKH-VQPPSCEASA-N 1 2 436.560 3.132 40 0 IGABLO Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000006321349 556833033 /nfs/dbraw/zinc/83/30/33/556833033.db2.gz DGRKTYCQXQIGKH-VQPPSCEASA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(C)CC3)cc12 ZINC000006322163 556833142 /nfs/dbraw/zinc/83/31/42/556833142.db2.gz UUNPDEUOGZKVQG-GCJKJVERSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)cc12 ZINC000006405710 556834249 /nfs/dbraw/zinc/83/42/49/556834249.db2.gz ZTJJKIRYHVYXKJ-LZFQIVBZSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)cc12 ZINC000006405710 556834253 /nfs/dbraw/zinc/83/42/53/556834253.db2.gz ZTJJKIRYHVYXKJ-LZFQIVBZSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCCC3)c(=O)[nH]c2c1C ZINC000006442330 556835611 /nfs/dbraw/zinc/83/56/11/556835611.db2.gz XAVIXCXCJKNCIR-KNQAVFIVSA-N 1 2 436.560 3.276 40 0 IGABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1CCOC)c1cc2ccc(C)cc2[nH]c1=O ZINC000008828577 556849590 /nfs/dbraw/zinc/84/95/90/556849590.db2.gz MTRXAYRJYDQNFN-JOCHJYFZSA-N 1 2 432.528 3.493 40 0 IGABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1CCOC)c1cc2ccc(C)cc2[nH]c1=O ZINC000008828577 556849592 /nfs/dbraw/zinc/84/95/92/556849592.db2.gz MTRXAYRJYDQNFN-JOCHJYFZSA-N 1 2 432.528 3.493 40 0 IGABLO CNC(=O)c1ccc(-c2ccc(CNC(=O)[C@@H]3CCCN(c4cccc[nH+]4)C3)cc2)nc1C ZINC000019700584 556859970 /nfs/dbraw/zinc/85/99/70/556859970.db2.gz UJYHUAGBHLBRGH-OAQYLSRUSA-N 1 2 443.551 3.344 40 0 IGABLO COc1ccccc1/C=C/C[N@@H+]1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 ZINC000019701132 556861170 /nfs/dbraw/zinc/86/11/70/556861170.db2.gz FOVOVVXMFXBNKF-SOFGYWHQSA-N 1 2 429.524 3.069 40 0 IGABLO COc1ccccc1/C=C/C[N@H+]1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 ZINC000019701132 556861173 /nfs/dbraw/zinc/86/11/73/556861173.db2.gz FOVOVVXMFXBNKF-SOFGYWHQSA-N 1 2 429.524 3.069 40 0 IGABLO CC(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000069711754 556867724 /nfs/dbraw/zinc/86/77/24/556867724.db2.gz FPALJIKDFFLSAT-JOCHJYFZSA-N 1 2 429.586 3.140 40 0 IGABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1c1ncc(C(=O)N2CCCCC2)c(C)n1 ZINC000019756196 556899718 /nfs/dbraw/zinc/89/97/18/556899718.db2.gz CLMNFZRTSGBNFL-JOCHJYFZSA-N 1 2 446.555 3.433 40 0 IGABLO CC(C)NC(=O)c1cc([C@@H]2C[N@H+](Cc3cccnc3N(C)C)CCO2)nc2ccccc21 ZINC000019762410 556906931 /nfs/dbraw/zinc/90/69/31/556906931.db2.gz BIRBRJOETRDCFP-QHCPKHFHSA-N 1 2 433.556 3.408 40 0 IGABLO CC(C)NC(=O)c1cc([C@@H]2C[N@@H+](Cc3cccnc3N(C)C)CCO2)nc2ccccc21 ZINC000019762410 556906933 /nfs/dbraw/zinc/90/69/33/556906933.db2.gz BIRBRJOETRDCFP-QHCPKHFHSA-N 1 2 433.556 3.408 40 0 IGABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCC3)cc2c1 ZINC000006196858 557149452 /nfs/dbraw/zinc/14/94/52/557149452.db2.gz PNJFASZKSIXPQP-QFIPXVFZSA-N 1 2 448.502 3.286 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006198286 557149771 /nfs/dbraw/zinc/14/97/71/557149771.db2.gz NNVBDNAILXJBKX-XWFZLUIHSA-N 1 2 436.560 3.077 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006198286 557149774 /nfs/dbraw/zinc/14/97/74/557149774.db2.gz NNVBDNAILXJBKX-XWFZLUIHSA-N 1 2 436.560 3.077 40 0 IGABLO O=C(Nc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1F)c1cccc(Cl)c1 ZINC000008810310 557172007 /nfs/dbraw/zinc/17/20/07/557172007.db2.gz UBSNIZIWRFRNBZ-UHFFFAOYSA-N 1 2 436.896 3.297 40 0 IGABLO O=C(NCC1CC1)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)c1ccccc1F)CCC2 ZINC000096251431 557188564 /nfs/dbraw/zinc/18/85/64/557188564.db2.gz NLLWWTMFHVLSTQ-DFBJGRDBSA-N 1 2 436.531 3.106 40 0 IGABLO CC(C)(C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](Cc2ccncc2)CC4)C1 ZINC000100233666 557250425 /nfs/dbraw/zinc/25/04/25/557250425.db2.gz KHXCCTFBBMWWTE-SFHVURJKSA-N 1 2 448.571 3.140 40 0 IGABLO CC(C)(C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](Cc2ccncc2)CC4)C1 ZINC000100233666 557250427 /nfs/dbraw/zinc/25/04/27/557250427.db2.gz KHXCCTFBBMWWTE-SFHVURJKSA-N 1 2 448.571 3.140 40 0 IGABLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@H](c4nnc(SC)n4C)C3)sc2c1 ZINC000013565145 557342132 /nfs/dbraw/zinc/34/21/32/557342132.db2.gz PAXQPPFFQQCAGE-ZDUSSCGKSA-N 1 2 446.602 3.364 40 0 IGABLO CCOc1ccc2nc(NC(=O)C[N@H+]3CCC[C@H](c4nnc(SC)n4C)C3)sc2c1 ZINC000013565145 557342134 /nfs/dbraw/zinc/34/21/34/557342134.db2.gz PAXQPPFFQQCAGE-ZDUSSCGKSA-N 1 2 446.602 3.364 40 0 IGABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1CC[NH+]1CCOCC1 ZINC000223135142 557437217 /nfs/dbraw/zinc/43/72/17/557437217.db2.gz UZNSZGWXKWGSTK-VXKWHMMOSA-N 1 2 425.602 3.303 40 0 IGABLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1C(C)C ZINC000223136633 557437600 /nfs/dbraw/zinc/43/76/00/557437600.db2.gz WCPOLSFLRFWWTG-FCHUYYIVSA-N 1 2 427.618 3.386 40 0 IGABLO Cc1cc(C)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C ZINC000223477201 557476486 /nfs/dbraw/zinc/47/64/86/557476486.db2.gz SHDZUJIXZKVSEA-LJQANCHMSA-N 1 2 429.586 3.039 40 0 IGABLO CC(C)(C)n1nnnc1[C@H](c1cccs1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020098622 557515234 /nfs/dbraw/zinc/51/52/34/557515234.db2.gz NDDKMGWHTKAROP-FQEVSTJZSA-N 1 2 440.573 3.126 40 0 IGABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COC(C)C ZINC000224429771 557605453 /nfs/dbraw/zinc/60/54/53/557605453.db2.gz LHEDIBSOZPYPRT-UHFFFAOYSA-N 1 2 426.513 3.307 40 0 IGABLO CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4OCC[NH+]4CCOCC4)OCC[C@@]31C2 ZINC000257224053 568676162 /nfs/dbraw/zinc/67/61/62/568676162.db2.gz FACSSCBMVQANSY-VSCLMIGZSA-N 1 2 442.600 3.416 40 0 IGABLO COc1cccc(CC(=O)N2CCO[C@H](c3cc(Nc4nncs4)cc(C)[nH+]3)C2)c1 ZINC000257229851 568678673 /nfs/dbraw/zinc/67/86/73/568678673.db2.gz FZSJUMKKIHGOLQ-IBGZPJMESA-N 1 2 425.514 3.136 40 0 IGABLO O=C(CCn1cc[nH+]c1)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257229905 568678872 /nfs/dbraw/zinc/67/88/72/568678872.db2.gz FZYKYQWPMZXOPR-UGKGYDQZSA-N 1 2 442.535 3.111 40 0 IGABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000257245946 568686439 /nfs/dbraw/zinc/68/64/39/568686439.db2.gz IRUXYXMJAJJMJU-SFHVURJKSA-N 1 2 426.542 3.167 40 0 IGABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000257245946 568686440 /nfs/dbraw/zinc/68/64/40/568686440.db2.gz IRUXYXMJAJJMJU-SFHVURJKSA-N 1 2 426.542 3.167 40 0 IGABLO CC(=O)N1CCC(Cc2ccccc2)(C(=O)N2CCC[C@@](C)(c3cc(N)nc(C)[nH+]3)C2)CC1 ZINC000257267186 568696508 /nfs/dbraw/zinc/69/65/08/568696508.db2.gz MGGYDJHVGDCXNG-RUZDIDTESA-N 1 2 449.599 3.119 40 0 IGABLO COCCC(=O)N[C@@H]1C[C@H](c2ccc(OC)c(Cn3cc[nH+]c3)c2)O[C@@H]2CCCC[C@@H]12 ZINC000257286984 568705370 /nfs/dbraw/zinc/70/53/70/568705370.db2.gz PNYDQGLIIFXPMK-KKSHJYNMSA-N 1 2 427.545 3.482 40 0 IGABLO CNc1nc([C@@H]2CCN(C(=O)CCCc3ccc(F)c(C)c3)C2)nc2c1C[N@H+](C)CC2 ZINC000257307956 568714580 /nfs/dbraw/zinc/71/45/80/568714580.db2.gz TUWHBRVHUFTWOW-GOSISDBHSA-N 1 2 425.552 3.293 40 0 IGABLO CNc1nc([C@@H]2CCN(C(=O)CCCc3ccc(F)c(C)c3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257307956 568714582 /nfs/dbraw/zinc/71/45/82/568714582.db2.gz TUWHBRVHUFTWOW-GOSISDBHSA-N 1 2 425.552 3.293 40 0 IGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC)cc1OC ZINC000261362686 568733272 /nfs/dbraw/zinc/73/32/72/568733272.db2.gz DTQXRBQXEBIUFV-OAQYLSRUSA-O 1 2 439.517 3.179 40 0 IGABLO CCOc1cc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)ccc1OC ZINC000261364423 568733578 /nfs/dbraw/zinc/73/35/78/568733578.db2.gz LJVGMSLXUSIEHK-OAQYLSRUSA-O 1 2 439.517 3.179 40 0 IGABLO Cc1ccc(C[N@@H+]2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@H]3C2)s1 ZINC000306124798 568763411 /nfs/dbraw/zinc/76/34/11/568763411.db2.gz BZUJJXVDKUIKCS-VQTJNVASSA-N 1 2 441.578 3.288 40 0 IGABLO Cc1ccc(C[N@H+]2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@H]3C2)s1 ZINC000306124798 568763412 /nfs/dbraw/zinc/76/34/12/568763412.db2.gz BZUJJXVDKUIKCS-VQTJNVASSA-N 1 2 441.578 3.288 40 0 IGABLO COc1ccccc1-c1ccc2c([C@H]3C[N@H+](Cc4cccnc4OC)CCN3C)nnn2c1 ZINC000306128440 568765247 /nfs/dbraw/zinc/76/52/47/568765247.db2.gz HAJRHFIAZBPPSQ-JOCHJYFZSA-N 1 2 444.539 3.297 40 0 IGABLO COc1ccccc1-c1ccc2c([C@H]3C[N@@H+](Cc4cccnc4OC)CCN3C)nnn2c1 ZINC000306128440 568765249 /nfs/dbraw/zinc/76/52/49/568765249.db2.gz HAJRHFIAZBPPSQ-JOCHJYFZSA-N 1 2 444.539 3.297 40 0 IGABLO Brc1csc(C[N@@H+]2CCOC[C@]3(CC[C@H](CNc4ncccn4)O3)C2)c1 ZINC000306131346 568766669 /nfs/dbraw/zinc/76/66/69/568766669.db2.gz KCFFOUKUIFWPPP-QAPCUYQASA-N 1 2 439.379 3.163 40 0 IGABLO Brc1csc(C[N@H+]2CCOC[C@]3(CC[C@H](CNc4ncccn4)O3)C2)c1 ZINC000306131346 568766670 /nfs/dbraw/zinc/76/66/70/568766670.db2.gz KCFFOUKUIFWPPP-QAPCUYQASA-N 1 2 439.379 3.163 40 0 IGABLO COc1ncccc1CN1Cc2c([nH+]c(C)n2C(C)C)C2(CCN(C(=O)N(C)C)CC2)C1 ZINC000306133743 568767987 /nfs/dbraw/zinc/76/79/87/568767987.db2.gz MUBXWXBKRCMQBN-UHFFFAOYSA-N 1 2 440.592 3.207 40 0 IGABLO COc1ccc2c(n1)-n1c(C)[nH+]cc1C1(CCN(C(=O)c3ccc(N(C)C)cc3)CC1)N2 ZINC000306144207 568773764 /nfs/dbraw/zinc/77/37/64/568773764.db2.gz YZDNUDHVGXGMLO-UHFFFAOYSA-N 1 2 432.528 3.207 40 0 IGABLO Cn1cccc1C(=O)N1CC[N@H+](CC2CC2)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306144574 568773953 /nfs/dbraw/zinc/77/39/53/568773953.db2.gz ZJFRZTPFBVGJAM-QFIPXVFZSA-N 1 2 432.572 3.182 40 0 IGABLO Cn1cccc1C(=O)N1CC[N@@H+](CC2CC2)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306144574 568773955 /nfs/dbraw/zinc/77/39/55/568773955.db2.gz ZJFRZTPFBVGJAM-QFIPXVFZSA-N 1 2 432.572 3.182 40 0 IGABLO OCCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329002794 568808880 /nfs/dbraw/zinc/80/88/80/568808880.db2.gz KJCOJSPPSXBUSP-UHFFFAOYSA-N 1 2 440.372 3.181 40 0 IGABLO C[C@H](CO)Nc1nc(NCc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329029754 568809629 /nfs/dbraw/zinc/80/96/29/568809629.db2.gz QAXLNZBZMIXIDM-CYBMUJFWSA-N 1 2 436.409 3.430 40 0 IGABLO C[C@H](CO)Nc1nc(NCc2ccccc2F)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329047887 568810364 /nfs/dbraw/zinc/81/03/64/568810364.db2.gz UIBKYOKUYAVHMC-CYBMUJFWSA-N 1 2 436.409 3.430 40 0 IGABLO OCCCNc1nc(NCc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329069767 568811120 /nfs/dbraw/zinc/81/11/20/568811120.db2.gz ZARPYPNDXCXGTI-UHFFFAOYSA-N 1 2 436.409 3.432 40 0 IGABLO [NH3+][C@@H](Cc1ccc(F)cc1)C(=O)NCC1CCC(c2ccnc(Nc3ncccn3)n2)CC1 ZINC000072380011 569250147 /nfs/dbraw/zinc/25/01/47/569250147.db2.gz UIISZAIDRRIPFH-QLOJAFMTSA-N 1 2 449.534 3.109 40 0 IGABLO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](c3nnc(COc4ccc(F)cc4)o3)C2)cc1 ZINC000049170429 291359544 /nfs/dbraw/zinc/35/95/44/291359544.db2.gz DDGZOBCVNBDFIS-INIZCTEOSA-N 1 2 431.489 3.181 40 0 biogenic,in-vitro IGABLO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](c3nnc(COc4ccc(F)cc4)o3)C2)cc1 ZINC000049170429 291359548 /nfs/dbraw/zinc/35/95/48/291359548.db2.gz DDGZOBCVNBDFIS-INIZCTEOSA-N 1 2 431.489 3.181 40 0 biogenic,in-vitro IGABLO CC(C)[C@H](c1nnnn1CCc1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022929876 519824183 /nfs/dbraw/zinc/82/41/83/519824183.db2.gz ZSKLYSZFGUYNJS-XMMPIXPASA-N 1 2 448.571 3.159 40 0 IGABLO C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NCCCn2cc[nH+]c2)cc1)c1ccccc1 ZINC000408598337 555956880 /nfs/dbraw/zinc/95/68/80/555956880.db2.gz ZEJWPGKZYLZKJM-LJQANCHMSA-N 1 2 440.569 3.062 40 0 IGABLO CCc1ccc(NC(=O)C[NH+]2CCC(NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000004908621 556020238 /nfs/dbraw/zinc/02/02/38/556020238.db2.gz ZQHMOVGASPBFGR-UHFFFAOYSA-N 1 2 425.529 3.099 40 0 IGABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCCCC1)OCO3 ZINC000006445172 556087962 /nfs/dbraw/zinc/08/79/62/556087962.db2.gz FTBGUOMOHJCDHQ-NRFANRHFSA-N 1 2 436.516 3.324 40 0 IGABLO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000017877424 556680198 /nfs/dbraw/zinc/68/01/98/556680198.db2.gz UKUSCQRDSRAREY-SFHVURJKSA-N 1 2 437.393 3.178 40 0 IGABLO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000920713 556749781 /nfs/dbraw/zinc/74/97/81/556749781.db2.gz VGWVTKLZZDRWDJ-UHFFFAOYSA-N 1 2 427.570 3.294 40 0 IGABLO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000920713 556749784 /nfs/dbraw/zinc/74/97/84/556749784.db2.gz VGWVTKLZZDRWDJ-UHFFFAOYSA-N 1 2 427.570 3.294 40 0 IGABLO O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccsc1)CN2C(=O)C1CCCCC1 ZINC000019406592 556755138 /nfs/dbraw/zinc/75/51/38/556755138.db2.gz GXPMETSXTNIPBV-NJDAHSKKSA-N 1 2 426.586 3.368 40 0 IGABLO CC(C)NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC000019448973 556759111 /nfs/dbraw/zinc/75/91/11/556759111.db2.gz JWSPHFHMHZXCIE-IBVKSMDESA-N 1 2 445.567 3.492 40 0 IGABLO CC(C)c1nc(N2CCC(NC(=O)CCCn3cc[nH+]c3)CC2)ncc1-c1ccncc1 ZINC000019451611 556762245 /nfs/dbraw/zinc/76/22/45/556762245.db2.gz BLUJVAWCHHOLMA-UHFFFAOYSA-N 1 2 433.560 3.424 40 0 IGABLO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)C[N@H+](Cc2cnc(C(C)C)nc2)CCO1 ZINC000019454084 556764714 /nfs/dbraw/zinc/76/47/14/556764714.db2.gz RIDZKFKQIWOJKM-AREMUKBSSA-N 1 2 445.567 3.222 40 0 IGABLO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)C[N@@H+](Cc2cnc(C(C)C)nc2)CCO1 ZINC000019454084 556764717 /nfs/dbraw/zinc/76/47/17/556764717.db2.gz RIDZKFKQIWOJKM-AREMUKBSSA-N 1 2 445.567 3.222 40 0 IGABLO CCCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000019502183 556773218 /nfs/dbraw/zinc/77/32/18/556773218.db2.gz BZTWKTRXVDPWHM-AIFLQVKLSA-N 1 2 436.508 3.334 40 0 IGABLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccncc2)C3)cs1 ZINC000019572060 556812296 /nfs/dbraw/zinc/81/22/96/556812296.db2.gz YIQHINXWLRECTI-HXUWFJFHSA-N 1 2 435.553 3.070 40 0 IGABLO Cc1cc(C[N@H+]2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccncc2)C3)cs1 ZINC000019572060 556812299 /nfs/dbraw/zinc/81/22/99/556812299.db2.gz YIQHINXWLRECTI-HXUWFJFHSA-N 1 2 435.553 3.070 40 0 IGABLO Cc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(C)CC3)c(=O)[nH]c2cc1C ZINC000006321081 556832950 /nfs/dbraw/zinc/83/29/50/556832950.db2.gz KWMRSHASKDXDQL-UGKGYDQZSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)nc2c1CCCN2CC1CC1 ZINC000019707038 556866227 /nfs/dbraw/zinc/86/62/27/556866227.db2.gz PLICDNGSHOKRDR-QGZVFWFLSA-N 1 2 426.590 3.222 40 0 IGABLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)nc2c1CCCN2CC1CC1 ZINC000019707038 556866229 /nfs/dbraw/zinc/86/62/29/556866229.db2.gz PLICDNGSHOKRDR-QGZVFWFLSA-N 1 2 426.590 3.222 40 0 IGABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@H](c3cc(C(N)=O)c4ccccc4n3)C1)CO2 ZINC000019759765 556903670 /nfs/dbraw/zinc/90/36/70/556903670.db2.gz JZXLMVWLRKBAFM-DEOSSOPVSA-N 1 2 431.492 3.192 40 0 IGABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@H](c3cc(C(N)=O)c4ccccc4n3)C1)CO2 ZINC000019759765 556903674 /nfs/dbraw/zinc/90/36/74/556903674.db2.gz JZXLMVWLRKBAFM-DEOSSOPVSA-N 1 2 431.492 3.192 40 0 IGABLO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)C[N@H+](C)Cc1ccccn1 ZINC000072370259 556934170 /nfs/dbraw/zinc/93/41/70/556934170.db2.gz UMKOEWIYAMSXLE-SFHVURJKSA-N 1 2 436.581 3.321 40 0 IGABLO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000072370259 556934174 /nfs/dbraw/zinc/93/41/74/556934174.db2.gz UMKOEWIYAMSXLE-SFHVURJKSA-N 1 2 436.581 3.321 40 0 IGABLO Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1)S(C)(=O)=O ZINC000020045859 556973426 /nfs/dbraw/zinc/97/34/26/556973426.db2.gz HVBZBGUVLOJERG-INIZCTEOSA-N 1 2 446.960 3.305 40 0 IGABLO CC(C)c1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000216330912 557143388 /nfs/dbraw/zinc/14/33/88/557143388.db2.gz SQGGZYBORHVTOD-UHFFFAOYSA-N 1 2 426.542 3.078 40 0 IGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCC(C)CC1 ZINC000006149232 557146404 /nfs/dbraw/zinc/14/64/04/557146404.db2.gz JBTBBFNAVGIPQV-HXUWFJFHSA-N 1 2 438.532 3.210 40 0 IGABLO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1nc(-c2ccccc2)cs1 ZINC000022821994 557271045 /nfs/dbraw/zinc/27/10/45/557271045.db2.gz VOPQBLDDDYZKIM-UHFFFAOYSA-N 1 2 436.537 3.295 40 0 IGABLO CC(C)c1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000219974201 557273606 /nfs/dbraw/zinc/27/36/06/557273606.db2.gz BHHMLVKDOJJGIE-UHFFFAOYSA-N 1 2 443.613 3.109 40 0 IGABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3ccccc3C(F)(F)F)C1=O)CC2 ZINC000102332158 557301109 /nfs/dbraw/zinc/30/11/09/557301109.db2.gz HRIUSZHAZYOELQ-KRWDZBQOSA-N 1 2 434.414 3.413 40 0 IGABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3ccccc3C(F)(F)F)C1=O)CC2 ZINC000102332158 557301111 /nfs/dbraw/zinc/30/11/11/557301111.db2.gz HRIUSZHAZYOELQ-KRWDZBQOSA-N 1 2 434.414 3.413 40 0 IGABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCO)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495976 557326208 /nfs/dbraw/zinc/32/62/08/557326208.db2.gz HFMAFDIBASCKPP-FQEVSTJZSA-N 1 2 442.564 3.004 40 0 IGABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCO)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495976 557326210 /nfs/dbraw/zinc/32/62/10/557326210.db2.gz HFMAFDIBASCKPP-FQEVSTJZSA-N 1 2 442.564 3.004 40 0 IGABLO CCOc1ccc2nc(NC(=O)C[NH+]3CCC(c4nnc(SC)n4C)CC3)sc2c1 ZINC000013565095 557341772 /nfs/dbraw/zinc/34/17/72/557341772.db2.gz CSZAFCGYTGREEV-UHFFFAOYSA-N 1 2 446.602 3.364 40 0 IGABLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1C(C)C ZINC000223136699 557437617 /nfs/dbraw/zinc/43/76/17/557437617.db2.gz WCPOLSFLRFWWTG-VXKWHMMOSA-N 1 2 427.618 3.386 40 0 IGABLO CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223411798 557468684 /nfs/dbraw/zinc/46/86/84/557468684.db2.gz UUBRICOUQVRFGO-QHCPKHFHSA-N 1 2 443.975 3.268 40 0 IGABLO CCC(C)(C)n1nnnc1[C@@H](CC(C)C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020139900 557515763 /nfs/dbraw/zinc/51/57/63/557515763.db2.gz PWMRFOJBRDOWLU-LJQANCHMSA-N 1 2 428.581 3.452 40 0 IGABLO COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000225778351 557776749 /nfs/dbraw/zinc/77/67/49/557776749.db2.gz BWYTWUIBJDHAPA-UHFFFAOYSA-N 1 2 433.961 3.445 40 0 IGABLO CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2cccc(Nc3cc(C)[nH+]c(C)n3)c2)C1 ZINC000257243251 568685171 /nfs/dbraw/zinc/68/51/71/568685171.db2.gz IGBDTQHLZORSQS-RUZDIDTESA-N 1 2 444.539 3.152 40 0 IGABLO O=C(C[N@H+]1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCC(=O)N2)Nc1ccnn1C1CCCC1 ZINC000257313170 568716883 /nfs/dbraw/zinc/71/68/83/568716883.db2.gz URGOMJUYVKZAQJ-GBXCKJPGSA-N 1 2 439.535 3.214 40 0 IGABLO O=C(C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCC(=O)N2)Nc1ccnn1C1CCCC1 ZINC000257313170 568716884 /nfs/dbraw/zinc/71/68/84/568716884.db2.gz URGOMJUYVKZAQJ-GBXCKJPGSA-N 1 2 439.535 3.214 40 0 IGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(Br)o1 ZINC000261365159 568733396 /nfs/dbraw/zinc/73/33/96/568733396.db2.gz QLRCUNXIZWDVBT-MRXNPFEDSA-O 1 2 434.295 3.128 40 0 IGABLO Cc1ccc(C[N@@H+]2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@@H]3C2)s1 ZINC000306124799 568763502 /nfs/dbraw/zinc/76/35/02/568763502.db2.gz BZUJJXVDKUIKCS-WOJBJXKFSA-N 1 2 441.578 3.288 40 0 IGABLO Cc1ccc(C[N@H+]2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@@H]3C2)s1 ZINC000306124799 568763504 /nfs/dbraw/zinc/76/35/04/568763504.db2.gz BZUJJXVDKUIKCS-WOJBJXKFSA-N 1 2 441.578 3.288 40 0 IGABLO Cc1nc(CN2CC[C@@]3(CN(c4ncccn4)C[C@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306132142 568767127 /nfs/dbraw/zinc/76/71/27/568767127.db2.gz KZZVLXFZUHOPNF-AVRDEDQJSA-N 1 2 437.573 3.042 40 0 IGABLO Cc1nc(CN2CC[C@]3(CN(c4ncccn4)C[C@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306132144 568767203 /nfs/dbraw/zinc/76/72/03/568767203.db2.gz KZZVLXFZUHOPNF-PGRDOPGGSA-N 1 2 437.573 3.042 40 0 IGABLO CC(C)n1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306137437 568769997 /nfs/dbraw/zinc/76/99/97/568769997.db2.gz QWGKFMMAQOXXMG-PZJWPPBQSA-N 1 2 426.517 3.420 40 0 IGABLO CC(C)n1cc(C[N@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306137437 568769999 /nfs/dbraw/zinc/76/99/99/568769999.db2.gz QWGKFMMAQOXXMG-PZJWPPBQSA-N 1 2 426.517 3.420 40 0 IGABLO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[N@H+]3CCC[C@H]3[C@H]2C1=O ZINC000101347266 568782159 /nfs/dbraw/zinc/78/21/59/568782159.db2.gz HTVROKSUZNDXQZ-OBZTUIKSSA-N 1 2 442.874 3.323 40 0 IGABLO COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)[N@@H+]3CCC[C@H]3[C@H]2C1=O ZINC000101347266 568782160 /nfs/dbraw/zinc/78/21/60/568782160.db2.gz HTVROKSUZNDXQZ-OBZTUIKSSA-N 1 2 442.874 3.323 40 0 IGABLO CCOC(=O)C1C(C[NH2+]Cc2ccc(Cl)cc2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000013565845 568905100 /nfs/dbraw/zinc/90/51/00/568905100.db2.gz ARDWTABHJXTEDX-FQEVSTJZSA-N 1 2 429.904 3.310 40 0 IGABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000229925604 569184947 /nfs/dbraw/zinc/18/49/47/569184947.db2.gz KSHIPPBAPXPXOS-QTDDQOEGSA-N 1 2 446.528 3.353 40 0 IGABLO Cc1nn2c(nccc2[C@@H]2CCN(C(=O)CC3CCCCC3)C2)c1C[NH+]1CCOCC1 ZINC000019707968 569234613 /nfs/dbraw/zinc/23/46/13/569234613.db2.gz CTHKKNXJMSUDIH-HXUWFJFHSA-N 1 2 425.577 3.156 40 0 IGABLO COc1ccc([C@@H]2Nc3ccc(Br)cc3-c3c(=O)[nH]c(SC)n[n+]32)cc1O ZINC000261362338 569315599 /nfs/dbraw/zinc/31/55/99/569315599.db2.gz HYSVWNKGFFFRKF-MRXNPFEDSA-O 1 2 448.322 3.308 40 0 IGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccccn1 ZINC000261363740 569315816 /nfs/dbraw/zinc/31/58/16/569315816.db2.gz HYJFRTCWPQYBDE-OAQYLSRUSA-O 1 2 428.497 3.461 40 0 IGABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccc3c(c2)OCO3)Oc2ccccc2N1Cc1cccnc1 ZINC000096111833 291363546 /nfs/dbraw/zinc/36/35/46/291363546.db2.gz XCNVOAXNDHLMRK-FPOVZHCZSA-N 1 2 429.476 3.379 40 0 biogenic,in-vitro IGABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccc3c(c2)OCO3)Oc2ccccc2N1Cc1cccnc1 ZINC000096111833 291363548 /nfs/dbraw/zinc/36/35/48/291363548.db2.gz XCNVOAXNDHLMRK-FPOVZHCZSA-N 1 2 429.476 3.379 40 0 biogenic,in-vitro IGABLO CC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000035290802 522981627 /nfs/dbraw/zinc/98/16/27/522981627.db2.gz OZXYAXUEUXNAAD-LJQANCHMSA-N 1 2 440.935 3.377 40 0 IGABLO Cc1c(Br)c(C(F)F)nn1CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000020528443 525524682 /nfs/dbraw/zinc/52/46/82/525524682.db2.gz HDVKYMOGORPYBF-UHFFFAOYSA-N 1 2 443.292 3.363 40 0 IGABLO O=S(=O)(CCNc1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(F)cc2)n1)NC1CCCCC1 ZINC000012221822 527176459 /nfs/dbraw/zinc/17/64/59/527176459.db2.gz VXDUJQIAACBGHD-UHFFFAOYSA-N 1 2 444.536 3.337 40 0 IGABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCn3cc[nH+]c3)ccc2Cl)c1 ZINC000408605420 555966147 /nfs/dbraw/zinc/96/61/47/555966147.db2.gz ITXGKUZVFJZNAH-UHFFFAOYSA-N 1 2 432.933 3.466 40 0 IGABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2ccc(Cl)cc2)cc1 ZINC000408617108 555988040 /nfs/dbraw/zinc/98/80/40/555988040.db2.gz HPUQSEDSVRAGLW-UHFFFAOYSA-N 1 2 446.960 3.247 40 0 IGABLO CC[C@@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711735 556284445 /nfs/dbraw/zinc/28/44/45/556284445.db2.gz UBDFWKVXHXYALU-YYVWFHOOSA-N 1 2 441.597 3.089 40 0 IGABLO Cc1cccc(C[N@@H+]2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)c2ccc(F)cc2)CC3)n1 ZINC000019236238 556720758 /nfs/dbraw/zinc/72/07/58/556720758.db2.gz NIIQTYDECYMMMZ-QFIPXVFZSA-N 1 2 447.514 3.148 40 0 IGABLO Cc1cccc(C[N@H+]2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)c2ccc(F)cc2)CC3)n1 ZINC000019236238 556720761 /nfs/dbraw/zinc/72/07/61/556720761.db2.gz NIIQTYDECYMMMZ-QFIPXVFZSA-N 1 2 447.514 3.148 40 0 IGABLO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](Cn1nc(-c2cccs2)ccc1=O)C(C)C ZINC000019286705 556728010 /nfs/dbraw/zinc/72/80/10/556728010.db2.gz YSZYYPPRBCWWGW-LJQANCHMSA-N 1 2 435.553 3.471 40 0 IGABLO O=C(C1CC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000019292156 556732163 /nfs/dbraw/zinc/73/21/63/556732163.db2.gz VVWKQFSZXHIKHM-KRWDZBQOSA-N 1 2 435.572 3.265 40 0 IGABLO O=C(C1CC1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C[C@H]2CC=CCC2)CC4)CC1 ZINC000019292156 556732166 /nfs/dbraw/zinc/73/21/66/556732166.db2.gz VVWKQFSZXHIKHM-KRWDZBQOSA-N 1 2 435.572 3.265 40 0 IGABLO Cc1cccc2cc(CN(CC[NH+]3CCOCC3)C(=S)NC3CCCCC3)c(=O)[nH]c12 ZINC000001224315 556769508 /nfs/dbraw/zinc/76/95/08/556769508.db2.gz LZGOMMQEPPSURQ-UHFFFAOYSA-N 1 2 442.629 3.178 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)[NH+]3CCCCC3)cc2c1 ZINC000001382151 556797140 /nfs/dbraw/zinc/79/71/40/556797140.db2.gz HBHRLDMVGNPNJP-QHCPKHFHSA-N 1 2 444.539 3.341 40 0 IGABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)[C@H]5CC=CCC5)C4)nc3C2)cc1 ZINC000019555618 556798617 /nfs/dbraw/zinc/79/86/17/556798617.db2.gz TXCSJADYHKULRI-VQTJNVASSA-N 1 2 448.567 3.421 40 0 IGABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)[C@H]5CC=CCC5)C4)nc3C2)cc1 ZINC000019555618 556798618 /nfs/dbraw/zinc/79/86/18/556798618.db2.gz TXCSJADYHKULRI-VQTJNVASSA-N 1 2 448.567 3.421 40 0 IGABLO CCOc1ccc(OCC)c(NC(=O)C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)c1 ZINC000004374378 556821588 /nfs/dbraw/zinc/82/15/88/556821588.db2.gz JVMNOSIVRDMOOI-UHFFFAOYSA-N 1 2 443.519 3.456 40 0 IGABLO CN1C[C@@H](C(=O)N2CCC[C@H](c3[nH+]c(Nc4cccc(F)c4)n4ccsc34)C2)CC1=O ZINC000019587233 556823688 /nfs/dbraw/zinc/82/36/88/556823688.db2.gz XQHRZNLLMLIQTB-GJZGRUSLSA-N 1 2 441.532 3.463 40 0 IGABLO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)cc3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000006409916 556835121 /nfs/dbraw/zinc/83/51/21/556835121.db2.gz PASNCZKXGOTYPW-QHCPKHFHSA-N 1 2 444.539 3.455 40 0 IGABLO Cc1ccc2c(cc(C(=O)N3CCC[C@H]3c3ccc(C(=O)N4CC[NH+](C)CC4)cn3)n2C)c1 ZINC000019708186 556868431 /nfs/dbraw/zinc/86/84/31/556868431.db2.gz UMGUZCWOPHSQIN-QHCPKHFHSA-N 1 2 445.567 3.247 40 0 IGABLO C[NH+]1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)C(C)(C)c3ccc(F)cc3)nc2)CC1 ZINC000019708767 556870223 /nfs/dbraw/zinc/87/02/23/556870223.db2.gz SCFFHZUBUQCBKZ-JOCHJYFZSA-N 1 2 438.547 3.250 40 0 IGABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)s1 ZINC000019762271 556906683 /nfs/dbraw/zinc/90/66/83/556906683.db2.gz PZCXFYAPMLLCGD-JOCHJYFZSA-N 1 2 438.553 3.046 40 0 IGABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)s1 ZINC000019762271 556906686 /nfs/dbraw/zinc/90/66/86/556906686.db2.gz PZCXFYAPMLLCGD-JOCHJYFZSA-N 1 2 438.553 3.046 40 0 IGABLO CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000072355566 556930461 /nfs/dbraw/zinc/93/04/61/556930461.db2.gz MSMFTBDVBBLKGV-MRXNPFEDSA-N 1 2 429.521 3.493 40 0 IGABLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000019933172 556949643 /nfs/dbraw/zinc/94/96/43/556949643.db2.gz LQFZMRJIZXVFOO-UHFFFAOYSA-N 1 2 438.553 3.285 40 0 IGABLO CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)cc1 ZINC000020062868 556976827 /nfs/dbraw/zinc/97/68/27/556976827.db2.gz GCLJOXMHOUWTOE-UHFFFAOYSA-N 1 2 444.582 3.250 40 0 IGABLO C[C@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O ZINC000000602967 557028407 /nfs/dbraw/zinc/02/84/07/557028407.db2.gz XQYASZNUFDVMFH-AWEZNQCLSA-N 1 2 434.899 3.081 40 0 IGABLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O ZINC000000602967 557028410 /nfs/dbraw/zinc/02/84/10/557028410.db2.gz XQYASZNUFDVMFH-AWEZNQCLSA-N 1 2 434.899 3.081 40 0 IGABLO CCCOc1cc2c(cc1C[N@@H+]1[C@@H]3CC[C@H]1Cc1c(nc4cc(C)[nH]n4c1=O)C3)OCO2 ZINC000100219562 557248829 /nfs/dbraw/zinc/24/88/29/557248829.db2.gz KGABWRZRVSQRAO-DLBZAZTESA-N 1 2 436.512 3.393 40 0 IGABLO CCCOc1cc2c(cc1C[N@H+]1[C@@H]3CC[C@H]1Cc1c(nc4cc(C)[nH]n4c1=O)C3)OCO2 ZINC000100219562 557248833 /nfs/dbraw/zinc/24/88/33/557248833.db2.gz KGABWRZRVSQRAO-DLBZAZTESA-N 1 2 436.512 3.393 40 0 IGABLO CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000057671011 557256848 /nfs/dbraw/zinc/25/68/48/557256848.db2.gz FDQPXONIZUKKOP-QFIPXVFZSA-N 1 2 436.560 3.402 40 0 IGABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494602 557325770 /nfs/dbraw/zinc/32/57/70/557325770.db2.gz YXWRZAIJTUHKDR-FQEVSTJZSA-N 1 2 442.564 3.004 40 0 IGABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494602 557325773 /nfs/dbraw/zinc/32/57/73/557325773.db2.gz YXWRZAIJTUHKDR-FQEVSTJZSA-N 1 2 442.564 3.004 40 0 IGABLO O=C(C[NH+]1CCC(NC(=O)c2ccc(Br)cc2)CC1)NCc1cccs1 ZINC000013555746 557351369 /nfs/dbraw/zinc/35/13/69/557351369.db2.gz XJJNPUSHDFTDNR-UHFFFAOYSA-N 1 2 436.375 3.021 40 0 IGABLO Cc1nn2c(nnc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccccc1 ZINC000014164718 557425345 /nfs/dbraw/zinc/42/53/45/557425345.db2.gz DPCBAEJVDMUJFY-UHFFFAOYSA-N 1 2 426.524 3.366 40 0 IGABLO Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223150429 557439294 /nfs/dbraw/zinc/43/92/94/557439294.db2.gz KDCXVHNUOQKUKE-RPWUZVMVSA-N 1 2 447.608 3.485 40 0 IGABLO Cc1ccccc1N(CCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000223406107 557467543 /nfs/dbraw/zinc/46/75/43/557467543.db2.gz BFJDSNAMFMKPGW-UHFFFAOYSA-N 1 2 426.542 3.043 40 0 IGABLO CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223662267 557499075 /nfs/dbraw/zinc/49/90/75/557499075.db2.gz TUOOIGSRGYNUSF-XZOQPEGZSA-N 1 2 449.580 3.474 40 0 IGABLO Cc1cccc2cc(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccccc3)c(=O)[nH]c12 ZINC000019822698 557507961 /nfs/dbraw/zinc/50/79/61/557507961.db2.gz REQXOMDAOINSEQ-UHFFFAOYSA-N 1 2 436.581 3.368 40 0 IGABLO CN(c1ccc2sc(C(=O)N3CC[NH+](C)CC3)cc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000028209173 557652541 /nfs/dbraw/zinc/65/25/41/557652541.db2.gz QFKIHSXXVNWIDF-UHFFFAOYSA-N 1 2 447.557 3.253 40 0 IGABLO CCCn1c2ccc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2sc1=O ZINC000225728776 557769788 /nfs/dbraw/zinc/76/97/88/557769788.db2.gz VPOGRHSGIRYFPV-UHFFFAOYSA-N 1 2 428.539 3.137 40 0 IGABLO Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000225795920 557778503 /nfs/dbraw/zinc/77/85/03/557778503.db2.gz CUNYRCGXSLHAIR-UHFFFAOYSA-N 1 2 434.471 3.278 40 0 IGABLO O=C(N1CCOC[C@@H](Cc2ccc3[nH+]ccn3c2)C1)C1(c2ccccc2F)CCOCC1 ZINC000257257132 568691940 /nfs/dbraw/zinc/69/19/40/568691940.db2.gz KOEJLLQFBYSZMR-FQEVSTJZSA-N 1 2 437.515 3.239 40 0 IGABLO COc1cccc(OC)c1C(=O)N1CCO[C@@H](c2cc(-c3ccc(N)[nH+]c3)cc(C)n2)C1 ZINC000257338289 568728038 /nfs/dbraw/zinc/72/80/38/568728038.db2.gz YWTBOGHXEASCOX-OAQYLSRUSA-N 1 2 434.496 3.265 40 0 IGABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccco3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306125342 568763803 /nfs/dbraw/zinc/76/38/03/568763803.db2.gz CMYIVCUHXGOXDL-CYFREDJKSA-N 1 2 433.512 3.111 40 0 IGABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccco3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306125344 568763805 /nfs/dbraw/zinc/76/38/05/568763805.db2.gz CMYIVCUHXGOXDL-NTKDMRAZSA-N 1 2 433.512 3.111 40 0 IGABLO CC(C)n1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306137436 568769903 /nfs/dbraw/zinc/76/99/03/568769903.db2.gz QWGKFMMAQOXXMG-FPOVZHCZSA-N 1 2 426.517 3.420 40 0 IGABLO CC(C)n1cc(C[N@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306137436 568769906 /nfs/dbraw/zinc/76/99/06/568769906.db2.gz QWGKFMMAQOXXMG-FPOVZHCZSA-N 1 2 426.517 3.420 40 0 IGABLO OCCCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329067958 568811057 /nfs/dbraw/zinc/81/10/57/568811057.db2.gz YKWJRTNPEDGDKV-UHFFFAOYSA-N 1 2 448.401 3.153 40 0 IGABLO COC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000245230729 569205470 /nfs/dbraw/zinc/20/54/70/569205470.db2.gz XRDFBFRVSINNEM-KYFSNAEOSA-N 1 2 448.541 3.002 40 0 IGABLO O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCC[N@H+](C[C@@H]5CC=CCC5)C4)[nH]n3c(=O)c2C1 ZINC000247713757 569206057 /nfs/dbraw/zinc/20/60/57/569206057.db2.gz LXFHKHJZCOTKIG-IEBWSBKVSA-N 1 2 435.572 3.265 40 0 IGABLO O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCC[N@@H+](C[C@@H]5CC=CCC5)C4)[nH]n3c(=O)c2C1 ZINC000247713757 569206059 /nfs/dbraw/zinc/20/60/59/569206059.db2.gz LXFHKHJZCOTKIG-IEBWSBKVSA-N 1 2 435.572 3.265 40 0 IGABLO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702902 569232486 /nfs/dbraw/zinc/23/24/86/569232486.db2.gz KYQSEUJOZJKQOI-QMEWPPBRSA-N 1 2 437.565 3.495 40 0 IGABLO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702902 569232487 /nfs/dbraw/zinc/23/24/87/569232487.db2.gz KYQSEUJOZJKQOI-QMEWPPBRSA-N 1 2 437.565 3.495 40 0 IGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccccn1 ZINC000261363739 569315775 /nfs/dbraw/zinc/31/57/75/569315775.db2.gz HYJFRTCWPQYBDE-NRFANRHFSA-O 1 2 428.497 3.461 40 0 IGABLO CCCOc1ccc(C(=O)[C@@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000022861986 520338628 /nfs/dbraw/zinc/33/86/28/520338628.db2.gz RAMJYYGIGMBUCY-LOSJGSFVSA-N 1 2 438.568 3.432 40 0 IGABLO CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000020456519 521849032 /nfs/dbraw/zinc/84/90/32/521849032.db2.gz HNDINMOLIGJAIB-NRFANRHFSA-N 1 2 426.542 3.042 40 0 IGABLO COCCn1nnnc1[C@@H](CC(C)C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035290739 522153649 /nfs/dbraw/zinc/15/36/49/522153649.db2.gz DZMFNCWAVFCTQP-GOSISDBHSA-N 1 2 426.487 3.248 40 0 IGABLO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)on1 ZINC000012128189 526046760 /nfs/dbraw/zinc/04/67/60/526046760.db2.gz VUYLBBSQUXDKLK-INIZCTEOSA-N 1 2 435.484 3.295 40 0 IGABLO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)on1 ZINC000012128189 526046770 /nfs/dbraw/zinc/04/67/70/526046770.db2.gz VUYLBBSQUXDKLK-INIZCTEOSA-N 1 2 435.484 3.295 40 0 IGABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408590327 555947390 /nfs/dbraw/zinc/94/73/90/555947390.db2.gz FZUNUGJIACYNTL-UHFFFAOYSA-N 1 2 448.932 3.166 40 0 IGABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2cccc(C)c2C)cc1 ZINC000408625572 555996282 /nfs/dbraw/zinc/99/62/82/555996282.db2.gz VNKBSDDXGPSJCC-UHFFFAOYSA-N 1 2 440.569 3.210 40 0 IGABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006301711 556084531 /nfs/dbraw/zinc/08/45/31/556084531.db2.gz XBQMDOKQIJSMPD-REDKUUPNSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006301711 556084535 /nfs/dbraw/zinc/08/45/35/556084535.db2.gz XBQMDOKQIJSMPD-REDKUUPNSA-N 1 2 436.560 3.132 40 0 IGABLO CN(C)CN1c2ccc(Br)cc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635318 556540765 /nfs/dbraw/zinc/54/07/65/556540765.db2.gz QYQPPZIBGJEWJJ-OAQYLSRUSA-N 1 2 425.330 3.185 40 0 IGABLO O=C(C[NH+]1CCC(O)(CN2CC3(CC2=O)CCCCC3)CC1)c1c[nH]c2ccc(F)cc12 ZINC000019346063 556742607 /nfs/dbraw/zinc/74/26/07/556742607.db2.gz HCZQWXJPZRCRNW-UHFFFAOYSA-N 1 2 441.547 3.499 40 0 IGABLO CCC(=O)N1CCc2cc(C(=O)C[NH+]3CCC(NC(C)=O)(c4ccccc4)CC3)ccc21 ZINC000019499157 556771196 /nfs/dbraw/zinc/77/11/96/556771196.db2.gz HNRBYHZPORDOLN-UHFFFAOYSA-N 1 2 433.552 3.296 40 0 IGABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000004848165 556823996 /nfs/dbraw/zinc/82/39/96/556823996.db2.gz VJNGCGGFWNUGOD-FQEVSTJZSA-N 1 2 426.565 3.160 40 0 IGABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000004848165 556824000 /nfs/dbraw/zinc/82/40/00/556824000.db2.gz VJNGCGGFWNUGOD-FQEVSTJZSA-N 1 2 426.565 3.160 40 0 IGABLO Cc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(C)CC3)c(=O)[nH]c2cc1C ZINC000006321320 556832982 /nfs/dbraw/zinc/83/29/82/556832982.db2.gz KWMRSHASKDXDQL-SIKLNZKXSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1nc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C2)sc1C ZINC000019698989 556857928 /nfs/dbraw/zinc/85/79/28/556857928.db2.gz VSYRLQVTMPCAAO-INIZCTEOSA-N 1 2 438.557 3.067 40 0 IGABLO Cc1nc(NC(=O)C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C2)sc1C ZINC000019698989 556857932 /nfs/dbraw/zinc/85/79/32/556857932.db2.gz VSYRLQVTMPCAAO-INIZCTEOSA-N 1 2 438.557 3.067 40 0 IGABLO Cc1nonc1NC(=O)C[NH+]1CCC([C@@]2(C)CCCCN(Cc3ccccc3)C2=O)CC1 ZINC000019743972 556889442 /nfs/dbraw/zinc/88/94/42/556889442.db2.gz QFOZXNWZRUTEBX-XMMPIXPASA-N 1 2 439.560 3.248 40 0 IGABLO CNc1nc([C@@H]2CCCCN2C(=O)CCN(C)c2cccc(F)c2)nc2c1C[N@H+](C)CC2 ZINC000072372350 556942267 /nfs/dbraw/zinc/94/22/67/556942267.db2.gz JFQZFZVRVDFGBR-NRFANRHFSA-N 1 2 440.567 3.225 40 0 IGABLO CNc1nc([C@@H]2CCCCN2C(=O)CCN(C)c2cccc(F)c2)nc2c1C[N@@H+](C)CC2 ZINC000072372350 556942269 /nfs/dbraw/zinc/94/22/69/556942269.db2.gz JFQZFZVRVDFGBR-NRFANRHFSA-N 1 2 440.567 3.225 40 0 IGABLO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCCn3cc[nH+]c3)c2)cc1 ZINC000020040630 556971706 /nfs/dbraw/zinc/97/17/06/556971706.db2.gz IMKDKQBBJOEBSU-UHFFFAOYSA-N 1 2 432.933 3.466 40 0 IGABLO CC(C)CN1CC2(CC[NH+](Cc3nccs3)CC2)COc2ccccc2S1(=O)=O ZINC000096037154 557164151 /nfs/dbraw/zinc/16/41/51/557164151.db2.gz YBJUSSVIDKDTFQ-UHFFFAOYSA-N 1 2 435.615 3.465 40 0 IGABLO O=C(NCC[NH+]1CCOCC1)c1ccc2onc(-c3csc(-c4cccnc4)n3)c2c1 ZINC000096154404 557177933 /nfs/dbraw/zinc/17/79/33/557177933.db2.gz HCZPRNIRWMHRJN-UHFFFAOYSA-N 1 2 435.509 3.075 40 0 IGABLO CCCC(=O)N1CCc2nc3cc(C4CC[NH+](Cc5ccncc5C)CC4)[nH]n3c(=O)c2C1 ZINC000100232670 557249837 /nfs/dbraw/zinc/24/98/37/557249837.db2.gz MVMBFSMNSPQACM-UHFFFAOYSA-N 1 2 448.571 3.203 40 0 IGABLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCCc4ccccc43)c2)CC1 ZINC000220010628 557277050 /nfs/dbraw/zinc/27/70/50/557277050.db2.gz XMRUJXXNUDIXHE-OAQYLSRUSA-N 1 2 447.988 3.084 40 0 IGABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495994 557326130 /nfs/dbraw/zinc/32/61/30/557326130.db2.gz IMZZSAYTHNHWBU-QHCPKHFHSA-N 1 2 446.555 3.207 40 0 IGABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495994 557326132 /nfs/dbraw/zinc/32/61/32/557326132.db2.gz IMZZSAYTHNHWBU-QHCPKHFHSA-N 1 2 446.555 3.207 40 0 IGABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498930 557328082 /nfs/dbraw/zinc/32/80/82/557328082.db2.gz SBKMSPHNNKWITP-OAQYLSRUSA-N 1 2 440.592 3.468 40 0 IGABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498930 557328086 /nfs/dbraw/zinc/32/80/86/557328086.db2.gz SBKMSPHNNKWITP-OAQYLSRUSA-N 1 2 440.592 3.468 40 0 IGABLO CCSc1nnc(C2CC[NH+](CC(=O)Nc3nc4ccc(OC)cc4s3)CC2)n1C ZINC000013565094 557341704 /nfs/dbraw/zinc/34/17/04/557341704.db2.gz UPAMTAZZHMKOJT-UHFFFAOYSA-N 1 2 446.602 3.364 40 0 IGABLO COc1ccc(C(=O)N2CCC(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CC2)cc1 ZINC000223124021 557435056 /nfs/dbraw/zinc/43/50/56/557435056.db2.gz XKLRSFKWGTVGKO-VMPITWQZSA-N 1 2 447.579 3.405 40 0 IGABLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1C1CC1 ZINC000223131478 557436413 /nfs/dbraw/zinc/43/64/13/557436413.db2.gz OEBQLCNMPHWARX-FCHUYYIVSA-N 1 2 425.602 3.140 40 0 IGABLO O=C(NCc1ccccc1C[NH+]1CCOCC1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000225779089 557776968 /nfs/dbraw/zinc/77/69/68/557776968.db2.gz ZTNSODZMBIXEFP-ULJHMMPZSA-N 1 2 445.519 3.199 40 0 IGABLO O=C(C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1Oc1cccc(Cl)c1)N1CCCCC1 ZINC000257205494 568667547 /nfs/dbraw/zinc/66/75/47/568667547.db2.gz AZIOQTVFMNIXLO-RXVVDRJESA-N 1 2 444.963 3.235 40 0 IGABLO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CN(S(=O)(=O)c4ccccc4)CCO3)c2)n1 ZINC000257241199 568684416 /nfs/dbraw/zinc/68/44/16/568684416.db2.gz HXBXLUILXYOQAK-NRFANRHFSA-N 1 2 439.541 3.303 40 0 IGABLO Cc1nc2cc(NC(=O)C[N@@H+]3C[C@@H](c4cccc(F)c4)[C@]4(C3)CCCC(=O)N4)ccc2n1C ZINC000257257412 568692194 /nfs/dbraw/zinc/69/21/94/568692194.db2.gz KPMLKOQLNXVXEV-NBGIEHNGSA-N 1 2 449.530 3.098 40 0 IGABLO Cc1nc2cc(NC(=O)C[N@H+]3C[C@@H](c4cccc(F)c4)[C@]4(C3)CCCC(=O)N4)ccc2n1C ZINC000257257412 568692197 /nfs/dbraw/zinc/69/21/97/568692197.db2.gz KPMLKOQLNXVXEV-NBGIEHNGSA-N 1 2 449.530 3.098 40 0 IGABLO Cc1c(C(=O)N2CCC[C@@H](CC(=O)NCCn3cc[nH+]c3)C2)cccc1N1CCCCC1 ZINC000257261417 568693784 /nfs/dbraw/zinc/69/37/84/568693784.db2.gz LHFDESQFIVKQFS-NRFANRHFSA-N 1 2 437.588 3.241 40 0 IGABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000257272991 568698960 /nfs/dbraw/zinc/69/89/60/568698960.db2.gz NEVBZDFLBDZCMH-GOSISDBHSA-N 1 2 440.569 3.242 40 0 IGABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000257272991 568698961 /nfs/dbraw/zinc/69/89/61/568698961.db2.gz NEVBZDFLBDZCMH-GOSISDBHSA-N 1 2 440.569 3.242 40 0 IGABLO C[N@H+](CC(=O)N1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1)Cc1ccccc1F ZINC000257277934 568701155 /nfs/dbraw/zinc/70/11/55/568701155.db2.gz OABSIIIRFSTHTQ-OAQYLSRUSA-N 1 2 435.503 3.391 40 0 IGABLO C[N@@H+](CC(=O)N1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1)Cc1ccccc1F ZINC000257277934 568701159 /nfs/dbraw/zinc/70/11/59/568701159.db2.gz OABSIIIRFSTHTQ-OAQYLSRUSA-N 1 2 435.503 3.391 40 0 IGABLO O=C(C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000257309017 568715163 /nfs/dbraw/zinc/71/51/63/568715163.db2.gz TZEXBIGQBHTVMM-ZCYQVOJMSA-N 1 2 438.524 3.237 40 0 IGABLO O=C(C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000257309017 568715164 /nfs/dbraw/zinc/71/51/64/568715164.db2.gz TZEXBIGQBHTVMM-ZCYQVOJMSA-N 1 2 438.524 3.237 40 0 IGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)n(C)n2)C1 ZINC000257327161 568722922 /nfs/dbraw/zinc/72/29/22/568722922.db2.gz XAGFVTVRLFPUFU-QFIPXVFZSA-N 1 2 429.952 3.310 40 0 IGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)n(C)n2)C1 ZINC000257327161 568722926 /nfs/dbraw/zinc/72/29/26/568722926.db2.gz XAGFVTVRLFPUFU-QFIPXVFZSA-N 1 2 429.952 3.310 40 0 IGABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc2c(c1)OCO2 ZINC000261365327 568733384 /nfs/dbraw/zinc/73/33/84/568733384.db2.gz RKTAIHAFQDKXGO-OAQYLSRUSA-O 1 2 437.501 3.281 40 0 IGABLO Cc1ccc(C[N@@H+]2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@H]3C2)s1 ZINC000306124796 568763417 /nfs/dbraw/zinc/76/34/17/568763417.db2.gz BZUJJXVDKUIKCS-PMACEKPBSA-N 1 2 441.578 3.288 40 0 IGABLO Cc1ccc(C[N@H+]2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@H]3C2)s1 ZINC000306124796 568763418 /nfs/dbraw/zinc/76/34/18/568763418.db2.gz BZUJJXVDKUIKCS-PMACEKPBSA-N 1 2 441.578 3.288 40 0 IGABLO O=C(NCCCn1cc[nH+]c1)c1nc([C@H]2CCCN2Cc2ccccn2)n2ccccc12 ZINC000306139211 568771085 /nfs/dbraw/zinc/77/10/85/568771085.db2.gz SSDNOSWMBPMHBH-OAQYLSRUSA-N 1 2 429.528 3.083 40 0 IGABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245230042 569205403 /nfs/dbraw/zinc/20/54/03/569205403.db2.gz KSHIPPBAPXPXOS-FBROZUCGSA-N 1 2 446.528 3.353 40 0 IGABLO CCc1nc(-c2cncnc2[C@H]2C[N@H+](Cc3cn(C)c4cc(OC)ccc34)CCO2)no1 ZINC000019693775 569229264 /nfs/dbraw/zinc/22/92/64/569229264.db2.gz IFBXFAXGRZFQQJ-HXUWFJFHSA-N 1 2 434.500 3.163 40 0 IGABLO CCc1nc(-c2cncnc2[C@H]2C[N@@H+](Cc3cn(C)c4cc(OC)ccc34)CCO2)no1 ZINC000019693775 569229265 /nfs/dbraw/zinc/22/92/65/569229265.db2.gz IFBXFAXGRZFQQJ-HXUWFJFHSA-N 1 2 434.500 3.163 40 0 IGABLO C[N@H+](CC(=O)N1CCO[C@H](c2nccnc2-c2cccc(F)c2)C1)Cc1ccccc1F ZINC000019693327 569326652 /nfs/dbraw/zinc/32/66/52/569326652.db2.gz NULHIRTVDOFRBJ-NRFANRHFSA-N 1 2 438.478 3.454 40 0 IGABLO C[N@@H+](CC(=O)N1CCO[C@H](c2nccnc2-c2cccc(F)c2)C1)Cc1ccccc1F ZINC000019693327 569326654 /nfs/dbraw/zinc/32/66/54/569326654.db2.gz NULHIRTVDOFRBJ-NRFANRHFSA-N 1 2 438.478 3.454 40 0 IGABLO O=C(NCCn1ncc2c1nc[nH+]c2NCc1ccco1)c1ccccc1C(F)(F)F ZINC000038484193 569462750 /nfs/dbraw/zinc/46/27/50/569462750.db2.gz FIUGWXWJVOWRAD-UHFFFAOYSA-N 1 2 430.390 3.480 40 0 IGABLO CCNC(=O)N[C@H]1C[C@@H](Cc2cc(C[NH+]3CCN(c4ccccc4)CC3)on2)C1(C)C ZINC000067890169 291355204 /nfs/dbraw/zinc/35/52/04/291355204.db2.gz PLXJFKXILWDULN-GCJKJVERSA-N 1 2 425.577 3.273 40 0 biogenic,in-vitro IGABLO COCCOc1cc(C[N@@H+]2CC[C@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)ccc1OC ZINC000012255402 524040981 /nfs/dbraw/zinc/04/09/81/524040981.db2.gz SJMXERXNMMIZQQ-SFHVURJKSA-N 1 2 426.517 3.075 40 0 IGABLO COCCOc1cc(C[N@H+]2CC[C@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)ccc1OC ZINC000012255402 524040985 /nfs/dbraw/zinc/04/09/85/524040985.db2.gz SJMXERXNMMIZQQ-SFHVURJKSA-N 1 2 426.517 3.075 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=O)NC3CCCCC3)cc12 ZINC000000880481 555577129 /nfs/dbraw/zinc/57/71/29/555577129.db2.gz GKCDJEWYRUCNMW-UHFFFAOYSA-N 1 2 440.588 3.321 40 0 IGABLO COC(=O)c1c(NC(=O)CN2c3cccc4cccc(c34)C2=O)sc2c1CC[N@H+](C)C2 ZINC000408616196 555986988 /nfs/dbraw/zinc/98/69/88/555986988.db2.gz XCZQKIHJQNGXCM-UHFFFAOYSA-N 1 2 435.505 3.275 40 0 IGABLO COC(=O)c1c(NC(=O)CN2c3cccc4cccc(c34)C2=O)sc2c1CC[N@@H+](C)C2 ZINC000408616196 555986992 /nfs/dbraw/zinc/98/69/92/555986992.db2.gz XCZQKIHJQNGXCM-UHFFFAOYSA-N 1 2 435.505 3.275 40 0 IGABLO Cc1cc(Cl)ccc1N(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccccc1 ZINC000408622065 555990811 /nfs/dbraw/zinc/99/08/11/555990811.db2.gz UBQSNALAPAPSBA-UHFFFAOYSA-N 1 2 446.960 3.247 40 0 IGABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCn3cc[nH+]c3)ccc2Cl)cc1 ZINC000408630349 556001076 /nfs/dbraw/zinc/00/10/76/556001076.db2.gz SEBTVIUZXGEUOU-UHFFFAOYSA-N 1 2 432.933 3.466 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)cc12 ZINC000006322168 556084875 /nfs/dbraw/zinc/08/48/75/556084875.db2.gz ZTJJKIRYHVYXKJ-REDKUUPNSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)cc12 ZINC000006322168 556084878 /nfs/dbraw/zinc/08/48/78/556084878.db2.gz ZTJJKIRYHVYXKJ-REDKUUPNSA-N 1 2 436.560 3.132 40 0 IGABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc2ccccc21 ZINC000044846575 556669488 /nfs/dbraw/zinc/66/94/88/556669488.db2.gz JIEQNJKQUMWCRP-UHFFFAOYSA-N 1 2 434.521 3.108 40 0 IGABLO O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349406 556744545 /nfs/dbraw/zinc/74/45/45/556744545.db2.gz XPXDUMFHFALQQF-HTAPYJJXSA-N 1 2 436.531 3.487 40 0 IGABLO O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019349406 556744547 /nfs/dbraw/zinc/74/45/47/556744547.db2.gz XPXDUMFHFALQQF-HTAPYJJXSA-N 1 2 436.531 3.487 40 0 IGABLO COc1ccc(-n2c(=O)c3c(C)c(C)sc3nc2SCC[NH+]2CCOCC2)cc1 ZINC000000925048 556752658 /nfs/dbraw/zinc/75/26/58/556752658.db2.gz VALORLIQACPMAZ-UHFFFAOYSA-N 1 2 431.583 3.497 40 0 IGABLO CCC(CC)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5C[C@@H]5C)CC4)[nH]n3c(=O)c2C1 ZINC000019500287 556772283 /nfs/dbraw/zinc/77/22/83/556772283.db2.gz VBSFJYDJMRYICQ-YJBOKZPZSA-N 1 2 425.577 3.344 40 0 IGABLO CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5C[C@@H]5C)CC4)[nH]n3c(=O)c2C1 ZINC000019500287 556772286 /nfs/dbraw/zinc/77/22/86/556772286.db2.gz VBSFJYDJMRYICQ-YJBOKZPZSA-N 1 2 425.577 3.344 40 0 IGABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)C5CCCC5)C4)nc3C2)cc1 ZINC000019555624 556798562 /nfs/dbraw/zinc/79/85/62/556798562.db2.gz GDBSNBPSTHLCGR-LJQANCHMSA-N 1 2 436.556 3.255 40 0 IGABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)C5CCCC5)C4)nc3C2)cc1 ZINC000019555624 556798565 /nfs/dbraw/zinc/79/85/65/556798565.db2.gz GDBSNBPSTHLCGR-LJQANCHMSA-N 1 2 436.556 3.255 40 0 IGABLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCc2c(=O)[nH]c(-c3ccncc3)nc2C1 ZINC000019578347 556815754 /nfs/dbraw/zinc/81/57/54/556815754.db2.gz NRKNUKQMIZOQRI-UHFFFAOYSA-N 1 2 426.524 3.252 40 0 IGABLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCc2c(=O)[nH]c(-c3ccncc3)nc2C1 ZINC000019578347 556815757 /nfs/dbraw/zinc/81/57/57/556815757.db2.gz NRKNUKQMIZOQRI-UHFFFAOYSA-N 1 2 426.524 3.252 40 0 IGABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000006282867 556831337 /nfs/dbraw/zinc/83/13/37/556831337.db2.gz LLVQCRKJWUWAGW-QFIPXVFZSA-N 1 2 448.502 3.286 40 0 IGABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(C)cc3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006410102 556835105 /nfs/dbraw/zinc/83/51/05/556835105.db2.gz WHGKUFCSCVJNNX-JOCHJYFZSA-N 1 2 430.512 3.065 40 0 IGABLO Cc1ccc2cc(C[N@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1C ZINC000006410272 556835410 /nfs/dbraw/zinc/83/54/10/556835410.db2.gz CQSBKYWPCFKWDC-NRFANRHFSA-N 1 2 436.560 3.255 40 0 IGABLO Cc1ccc2cc(C[N@@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1C ZINC000006410272 556835411 /nfs/dbraw/zinc/83/54/11/556835411.db2.gz CQSBKYWPCFKWDC-NRFANRHFSA-N 1 2 436.560 3.255 40 0 IGABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)[NH+]3CCC(C)CC3)cc2c1 ZINC000008659575 556841712 /nfs/dbraw/zinc/84/17/12/556841712.db2.gz QBUPDJWFYHFUPF-JOCHJYFZSA-N 1 2 448.527 3.376 40 0 IGABLO Cc1nnc2n1C[C@@H](c1cccc(C(=O)N3CC[NH+](Cc4cccc(F)c4)CC3)c1)CC2 ZINC000019698200 556856231 /nfs/dbraw/zinc/85/62/31/556856231.db2.gz CVTMWXHSGWTWRB-QFIPXVFZSA-N 1 2 433.531 3.414 40 0 IGABLO Cc1[nH]c2ccc(F)cc2c1C[N@@H+]1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 ZINC000019701140 556861283 /nfs/dbraw/zinc/86/12/83/556861283.db2.gz MGTBWRNODMVFRQ-UHFFFAOYSA-N 1 2 444.514 3.476 40 0 IGABLO Cc1[nH]c2ccc(F)cc2c1C[N@H+]1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 ZINC000019701140 556861286 /nfs/dbraw/zinc/86/12/86/556861286.db2.gz MGTBWRNODMVFRQ-UHFFFAOYSA-N 1 2 444.514 3.476 40 0 IGABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000019819925 556923340 /nfs/dbraw/zinc/92/33/40/556923340.db2.gz TUUYRERCRLZEGE-NSHDSACASA-N 1 2 435.315 3.420 40 0 IGABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000019819923 556923421 /nfs/dbraw/zinc/92/34/21/556923421.db2.gz TUUYRERCRLZEGE-LLVKDONJSA-N 1 2 435.315 3.420 40 0 IGABLO COc1ccc2c(C[N@@H+]3CCO[C@H](c4c5cccnc5sc4C(N)=O)C3)cn(C)c2c1 ZINC000072370225 556933994 /nfs/dbraw/zinc/93/39/94/556933994.db2.gz KVGJKUDVBUCRSW-IBGZPJMESA-N 1 2 436.537 3.469 40 0 IGABLO COc1ccc2c(C[N@H+]3CCO[C@H](c4c5cccnc5sc4C(N)=O)C3)cn(C)c2c1 ZINC000072370225 556933996 /nfs/dbraw/zinc/93/39/96/556933996.db2.gz KVGJKUDVBUCRSW-IBGZPJMESA-N 1 2 436.537 3.469 40 0 IGABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1C[N@H+](Cc1ccccc1N1CCCC1)CC2 ZINC000072372380 556942550 /nfs/dbraw/zinc/94/25/50/556942550.db2.gz UPSUBCNHSNACCU-HSZRJFAPSA-N 1 2 434.588 3.360 40 0 IGABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1C[N@@H+](Cc1ccccc1N1CCCC1)CC2 ZINC000072372380 556942552 /nfs/dbraw/zinc/94/25/52/556942552.db2.gz UPSUBCNHSNACCU-HSZRJFAPSA-N 1 2 434.588 3.360 40 0 IGABLO Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000019931490 556948826 /nfs/dbraw/zinc/94/88/26/556948826.db2.gz INRUWXFLPVSGCF-MRXNPFEDSA-N 1 2 446.960 3.305 40 0 IGABLO O=C(C[NH+]1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1)Nc1c(F)cccc1F ZINC000072383428 556958585 /nfs/dbraw/zinc/95/85/85/556958585.db2.gz OWRWTPJYGBJMBO-UHFFFAOYSA-N 1 2 439.470 3.182 40 0 IGABLO O=C(NCCc1cccs1)[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2c[nH+]cn21 ZINC000585096129 557033287 /nfs/dbraw/zinc/03/32/87/557033287.db2.gz STISDSUWTLUYOE-WWKNUYBVSA-N 1 2 438.597 3.403 40 0 IGABLO CC1CC[NH+]([C@@H](c2nnnn2C2CCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000006148981 557146464 /nfs/dbraw/zinc/14/64/64/557146464.db2.gz OBTMMVSQBZUEAG-OAQYLSRUSA-N 1 2 436.516 3.180 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006198020 557149709 /nfs/dbraw/zinc/14/97/09/557149709.db2.gz VSNXUSFVUJDKOD-UGKGYDQZSA-N 1 2 436.560 3.077 40 0 IGABLO O=C(NC1CCCCC1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251450 557188546 /nfs/dbraw/zinc/18/85/46/557188546.db2.gz YKLDUWGKCQNEFR-CPJSRVTESA-N 1 2 439.604 3.169 40 0 IGABLO O=C(C1CC1)N1CCc2nc3cc(C4CC[NH+](Cc5ccccc5F)CC4)[nH]n3c(=O)c2C1 ZINC000100232680 557249857 /nfs/dbraw/zinc/24/98/57/557249857.db2.gz VEMYMNZPZFTYGE-UHFFFAOYSA-N 1 2 449.530 3.248 40 0 IGABLO CC(C)[C@@H](c1nnnn1CCc1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022929878 557274268 /nfs/dbraw/zinc/27/42/68/557274268.db2.gz ZSKLYSZFGUYNJS-DEOSSOPVSA-N 1 2 448.571 3.159 40 0 IGABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCc1ccc2ccccc2c1 ZINC000222805017 557388454 /nfs/dbraw/zinc/38/84/54/557388454.db2.gz FYSBJUCFKNVPKB-UHFFFAOYSA-N 1 2 437.565 3.014 40 0 IGABLO Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCCCn3cc[nH+]c3)c2)cc1 ZINC000224343866 557595079 /nfs/dbraw/zinc/59/50/79/557595079.db2.gz SFCHTFWETZUAQD-UHFFFAOYSA-N 1 2 446.960 3.490 40 0 IGABLO S=C(NCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccc(Nc2ccccc2)cc1 ZINC000225218338 557701328 /nfs/dbraw/zinc/70/13/28/557701328.db2.gz QMUYYVNTSSQHGL-UHFFFAOYSA-N 1 2 433.585 3.329 40 0 IGABLO COc1ccccc1NC(=S)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000225223835 557702210 /nfs/dbraw/zinc/70/22/10/557702210.db2.gz YLWNMATWPCKJOO-UHFFFAOYSA-N 1 2 431.558 3.236 40 0 IGABLO Cc1cccc(N(CCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)c1C ZINC000225744749 557772072 /nfs/dbraw/zinc/77/20/72/557772072.db2.gz POPFTPDZMNTEAL-UHFFFAOYSA-N 1 2 440.569 3.352 40 0 IGABLO Cc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1N1CCCC1=O ZINC000225778813 557777029 /nfs/dbraw/zinc/77/70/29/557777029.db2.gz FWMFXXJFMBNTMC-UHFFFAOYSA-N 1 2 438.597 3.441 40 0 IGABLO Cc1noc(C)c1CC(=O)N1CCO[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000257258274 568692484 /nfs/dbraw/zinc/69/24/84/568692484.db2.gz KTCRTTYSQWJSBP-NRFANRHFSA-N 1 2 436.516 3.288 40 0 IGABLO CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@]2(C1)CCCC(=O)N2 ZINC000257258690 568692598 /nfs/dbraw/zinc/69/25/98/568692598.db2.gz KVCJZGGANWFILQ-UQBPGWFLSA-N 1 2 434.515 3.403 40 0 IGABLO O=C(N1CCOC[C@H](Cc2ccc3[nH+]ccn3c2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000257262770 568694500 /nfs/dbraw/zinc/69/45/00/568694500.db2.gz LMVNAPIAQNXBMJ-HXUWFJFHSA-N 1 2 437.515 3.239 40 0 IGABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@H+](Cc3cnn(C(C)C)c3)C[C@@H]1S2(=O)=O ZINC000306123540 568762852 /nfs/dbraw/zinc/76/28/52/568762852.db2.gz APRQZJZQZZIACW-IRLDBZIGSA-N 1 2 438.553 3.290 40 0 IGABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@@H+](Cc3cnn(C(C)C)c3)C[C@@H]1S2(=O)=O ZINC000306123540 568762853 /nfs/dbraw/zinc/76/28/53/568762853.db2.gz APRQZJZQZZIACW-IRLDBZIGSA-N 1 2 438.553 3.290 40 0 IGABLO Cc1nc(CN2CC[C@@]3(CN(c4ncccn4)C[C@@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306132143 568767118 /nfs/dbraw/zinc/76/71/18/568767118.db2.gz KZZVLXFZUHOPNF-GCJKJVERSA-N 1 2 437.573 3.042 40 0 IGABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4ccccc4C)CC2)C[N@@H+](C)C3)cc1 ZINC000306132833 568767483 /nfs/dbraw/zinc/76/74/83/568767483.db2.gz LTMGBDAWHSNDIF-UHFFFAOYSA-N 1 2 431.540 3.339 40 0 IGABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4ccccc4C)CC2)C[N@H+](C)C3)cc1 ZINC000306132833 568767485 /nfs/dbraw/zinc/76/74/85/568767485.db2.gz LTMGBDAWHSNDIF-UHFFFAOYSA-N 1 2 431.540 3.339 40 0 IGABLO Cc1nc2c(n1CC1CC1)C[N@H+](Cc1ccncc1)CC21CCN(c2ncccn2)CC1 ZINC000306138751 568770782 /nfs/dbraw/zinc/77/07/82/568770782.db2.gz SGHRYEWLQKNFIM-UHFFFAOYSA-N 1 2 429.572 3.341 40 0 IGABLO Cc1nc2c(n1CC1CC1)C[N@@H+](Cc1ccncc1)CC21CCN(c2ncccn2)CC1 ZINC000306138751 568770785 /nfs/dbraw/zinc/77/07/85/568770785.db2.gz SGHRYEWLQKNFIM-UHFFFAOYSA-N 1 2 429.572 3.341 40 0 IGABLO Cc1[nH+]c2c(n1CC1CC1)CN(Cc1ccncc1)CC21CCN(c2ncccn2)CC1 ZINC000306138751 568770786 /nfs/dbraw/zinc/77/07/86/568770786.db2.gz SGHRYEWLQKNFIM-UHFFFAOYSA-N 1 2 429.572 3.341 40 0 IGABLO C[C@H](CO)Nc1nc(NCCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328969420 568808006 /nfs/dbraw/zinc/80/80/06/568808006.db2.gz DDUCQBWTWQJFMH-OAHLLOKOSA-N 1 2 432.446 3.333 40 0 IGABLO COc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329032226 568809862 /nfs/dbraw/zinc/80/98/62/568809862.db2.gz QNDVKIVWQJRAAJ-AWEZNQCLSA-N 1 2 448.445 3.299 40 0 IGABLO CC(C)C[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019370220 568876060 /nfs/dbraw/zinc/87/60/60/568876060.db2.gz UJTZOHCLBNRORE-FQEVSTJZSA-N 1 2 426.565 3.422 40 0 IGABLO Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCC[N@@H+]2CC(=O)NC2CCCCC2)n1 ZINC000019766674 569239466 /nfs/dbraw/zinc/23/94/66/569239466.db2.gz WGIKAOKLBWPQFH-JOCHJYFZSA-N 1 2 435.572 3.301 40 0 IGABLO Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCC[N@H+]2CC(=O)NC2CCCCC2)n1 ZINC000019766674 569239467 /nfs/dbraw/zinc/23/94/67/569239467.db2.gz WGIKAOKLBWPQFH-JOCHJYFZSA-N 1 2 435.572 3.301 40 0 IGABLO [NH3+][C@H](Cc1ccc(F)cc1)C(=O)NCC1CCC(c2ccnc(Nc3ncccn3)n2)CC1 ZINC000072380012 569250166 /nfs/dbraw/zinc/25/01/66/569250166.db2.gz UIISZAIDRRIPFH-AFMYVXGZSA-N 1 2 449.534 3.109 40 0 IGABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)Cc3ccccc3)CC[N@@H+]21 ZINC000253408414 291354375 /nfs/dbraw/zinc/35/43/75/291354375.db2.gz XVYPREGDAQPAJF-NRFANRHFSA-N 1 2 425.960 3.330 40 0 biogenic,in-vitro IGABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)Cc3ccccc3)CC[N@H+]21 ZINC000253408414 291354379 /nfs/dbraw/zinc/35/43/79/291354379.db2.gz XVYPREGDAQPAJF-NRFANRHFSA-N 1 2 425.960 3.330 40 0 biogenic,in-vitro IGABLO O=C1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000009870544 132330650 /nfs/dbraw/zinc/33/06/50/132330650.db2.gz UKUSCQRDSRAREY-GOSISDBHSA-N 1 2 437.393 3.178 40 0 IGABLO C[C@@H]1CCC[N@@H+]([C@@H](c2nnnn2C2CCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000012713260 524244213 /nfs/dbraw/zinc/24/42/13/524244213.db2.gz BGTJHNVUOGMCFK-SPLOXXLWSA-N 1 2 436.516 3.180 40 0 IGABLO C[C@@H]1CCC[N@H+]([C@@H](c2nnnn2C2CCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000012713260 524244218 /nfs/dbraw/zinc/24/42/18/524244218.db2.gz BGTJHNVUOGMCFK-SPLOXXLWSA-N 1 2 436.516 3.180 40 0 IGABLO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012470775 524352962 /nfs/dbraw/zinc/35/29/62/524352962.db2.gz XBQMDOKQIJSMPD-FXCLAUTBSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012470775 524352972 /nfs/dbraw/zinc/35/29/72/524352972.db2.gz XBQMDOKQIJSMPD-FXCLAUTBSA-N 1 2 436.560 3.132 40 0 IGABLO C[C@@H]1Cn2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)c3c(Cl)ccc(c32)O1 ZINC000020926239 525542665 /nfs/dbraw/zinc/54/26/65/525542665.db2.gz SXTAPQNGVAWBGK-MRXNPFEDSA-N 1 2 437.927 3.394 40 0 IGABLO Cc1ccc(N([C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000408616111 555986943 /nfs/dbraw/zinc/98/69/43/555986943.db2.gz VXKJPIKTSKQUFE-TYOLEZHBSA-N 1 2 441.597 3.007 40 0 IGABLO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCCn3cc[nH+]c3)ccc2C)c1 ZINC000408616876 555988064 /nfs/dbraw/zinc/98/80/64/555988064.db2.gz CPXILLYXQFBQEI-UHFFFAOYSA-N 1 2 426.542 3.429 40 0 IGABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000044945586 556683372 /nfs/dbraw/zinc/68/33/72/556683372.db2.gz QHGRNWINBDZIQQ-UHFFFAOYSA-N 1 2 438.553 3.118 40 0 IGABLO Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(C(=O)CCn3cc[nH+]c3)CC2)on1 ZINC000019122830 556701642 /nfs/dbraw/zinc/70/16/42/556701642.db2.gz QJLNAGKUXSLJOJ-UHFFFAOYSA-N 1 2 449.559 3.423 40 0 IGABLO O=C(NCC[NH+]1CCOCC1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257251967 556711719 /nfs/dbraw/zinc/71/17/19/556711719.db2.gz JTBMMLGWYLTTFX-UHFFFAOYSA-N 1 2 426.532 3.280 40 0 IGABLO Cc1ccccc1CC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)CC1 ZINC000019237040 556721875 /nfs/dbraw/zinc/72/18/75/556721875.db2.gz HIBCFOABQYWNPF-UHFFFAOYSA-N 1 2 447.583 3.459 40 0 IGABLO Cc1ccccc1CC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)CC1 ZINC000019237040 556721876 /nfs/dbraw/zinc/72/18/76/556721876.db2.gz HIBCFOABQYWNPF-UHFFFAOYSA-N 1 2 447.583 3.459 40 0 IGABLO Cc1cc(C)c2cc(CN(CC[NH+]3CCOCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000000880482 556731874 /nfs/dbraw/zinc/73/18/74/556731874.db2.gz SSPIVWKGOMYBBJ-UHFFFAOYSA-N 1 2 440.588 3.321 40 0 IGABLO CC(C)[N@@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)c5ccc(F)cc5)C4)[nH]n3c(=O)c2C1 ZINC000019448081 556757139 /nfs/dbraw/zinc/75/71/39/556757139.db2.gz HBPMHYNRBCXIDE-QGZVFWFLSA-N 1 2 437.519 3.360 40 0 IGABLO CC(C)[N@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)c5ccc(F)cc5)C4)[nH]n3c(=O)c2C1 ZINC000019448081 556757142 /nfs/dbraw/zinc/75/71/42/556757142.db2.gz HBPMHYNRBCXIDE-QGZVFWFLSA-N 1 2 437.519 3.360 40 0 IGABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004847488 556823676 /nfs/dbraw/zinc/82/36/76/556823676.db2.gz UHGBCHUVTJLIQW-FQEVSTJZSA-N 1 2 426.565 3.222 40 0 IGABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004847488 556823679 /nfs/dbraw/zinc/82/36/79/556823679.db2.gz UHGBCHUVTJLIQW-FQEVSTJZSA-N 1 2 426.565 3.222 40 0 IGABLO COc1cc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)c(=O)[nH]c2cc1OC ZINC000008617340 556841784 /nfs/dbraw/zinc/84/17/84/556841784.db2.gz QMJJTUBRFLGHKA-OAQYLSRUSA-N 1 2 438.532 3.222 40 0 IGABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)[NH+]3CCC(C)CC3)cc2c1 ZINC000008586413 556841864 /nfs/dbraw/zinc/84/18/64/556841864.db2.gz QBUPDJWFYHFUPF-QFIPXVFZSA-N 1 2 448.527 3.376 40 0 IGABLO Cc1ccc(C(C)(C)C(=O)N2CCC(c3ccc(C(=O)N4CC[NH+](C)CC4)cn3)CC2)cc1 ZINC000019708414 556868949 /nfs/dbraw/zinc/86/89/49/556868949.db2.gz MDXUEJGPFMTDDI-UHFFFAOYSA-N 1 2 448.611 3.461 40 0 IGABLO CC(C)NC(=O)c1cc([C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccn3)C2)nc2ccccc21 ZINC000019756929 556901152 /nfs/dbraw/zinc/90/11/52/556901152.db2.gz AGCRUURWTQUGIK-LJQANCHMSA-N 1 2 445.567 3.216 40 0 IGABLO CC(C)NC(=O)c1cc([C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccn3)C2)nc2ccccc21 ZINC000019756929 556901156 /nfs/dbraw/zinc/90/11/56/556901156.db2.gz AGCRUURWTQUGIK-LJQANCHMSA-N 1 2 445.567 3.216 40 0 IGABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C2)cc1Cn1cccn1 ZINC000072347363 556918658 /nfs/dbraw/zinc/91/86/58/556918658.db2.gz FRERAUYZCGMLIS-UHFFFAOYSA-N 1 2 448.571 3.230 40 0 IGABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C2)cc1Cn1cccn1 ZINC000072347363 556918663 /nfs/dbraw/zinc/91/86/63/556918663.db2.gz FRERAUYZCGMLIS-UHFFFAOYSA-N 1 2 448.571 3.230 40 0 IGABLO COc1cccc([C@@H]2NC3=[NH+]CN(Cc4cccnc4)CN3c3nc4ccccc4n32)c1 ZINC000019960486 556955222 /nfs/dbraw/zinc/95/52/22/556955222.db2.gz IZDDILMAERJDQU-JOCHJYFZSA-N 1 2 425.496 3.183 40 0 IGABLO COc1ccc2cc(C[NH2+]c3ccc(N4CCN(c5ncccn5)CC4)cc3)c(=O)[nH]c2c1 ZINC000072396136 556969022 /nfs/dbraw/zinc/96/90/22/556969022.db2.gz AZAVROMSBQVFFE-UHFFFAOYSA-N 1 2 442.523 3.265 40 0 IGABLO CCCC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000020150653 556991193 /nfs/dbraw/zinc/99/11/93/556991193.db2.gz OXZUZPBRMZLICA-UKDJSQQHSA-N 1 2 436.508 3.253 40 0 IGABLO Cc1nc(CN2CC[C@]3(CN(C(=O)C4(F)CC4)C[C@@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000585106430 557039898 /nfs/dbraw/zinc/03/98/98/557039898.db2.gz GMSGKLFHHDTAIZ-DYESRHJHSA-N 1 2 445.564 3.076 40 0 IGABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCC3)cc2c1 ZINC000006197007 557149445 /nfs/dbraw/zinc/14/94/45/557149445.db2.gz PNJFASZKSIXPQP-JOCHJYFZSA-N 1 2 448.502 3.286 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCCC3)cc2c1 ZINC000006198310 557149625 /nfs/dbraw/zinc/14/96/25/557149625.db2.gz HHRSXTWDWSKPNM-DENIHFKCSA-N 1 2 436.560 3.221 40 0 IGABLO COc1cccc(-c2ccc3cc(C(=O)NCC[NH+]4CCOCC4)c(-c4cocn4)n3c2)c1 ZINC000096267047 557192882 /nfs/dbraw/zinc/19/28/82/557192882.db2.gz PTTSKWMPMYPJSX-UHFFFAOYSA-N 1 2 446.507 3.332 40 0 IGABLO CC(C)n1c(C[NH+](Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000096306524 557195991 /nfs/dbraw/zinc/19/59/91/557195991.db2.gz LDBSSSUYYCXFGG-UHFFFAOYSA-N 1 2 431.540 3.217 40 0 IGABLO CC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC[C@@H](Cc2cccn3cc[nH+]c23)CC1 ZINC000585262022 557198497 /nfs/dbraw/zinc/19/84/97/557198497.db2.gz ZVXJWJPVRJGCCS-HXUWFJFHSA-N 1 2 448.567 3.479 40 0 IGABLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1C1CC1 ZINC000223131365 557436375 /nfs/dbraw/zinc/43/63/75/557436375.db2.gz OEBQLCNMPHWARX-FGZHOGPDSA-N 1 2 425.602 3.140 40 0 IGABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1CC[NH+]1CCOCC1 ZINC000223162810 557440255 /nfs/dbraw/zinc/44/02/55/557440255.db2.gz ZOKZKKGPGHWKFM-YADHBBJMSA-N 1 2 425.602 3.303 40 0 IGABLO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2S(=O)(=O)Nc2ccc(Cl)cc2)CC1 ZINC000223416909 557469431 /nfs/dbraw/zinc/46/94/31/557469431.db2.gz LIOWPJCGTDLSGH-UHFFFAOYSA-N 1 2 437.949 3.069 40 0 IGABLO CN(c1ccc(Cl)c(C(=O)N2CC[NH+](C)CC2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224347078 557595444 /nfs/dbraw/zinc/59/54/44/557595444.db2.gz APFSSLXQMJVDJQ-UHFFFAOYSA-N 1 2 442.368 3.206 40 0 IGABLO COc1ccc2cc(S(=O)(=O)NCc3ccccc3C[NH+]3CCOCC3)ccc2c1 ZINC000225507678 557731999 /nfs/dbraw/zinc/73/19/99/557731999.db2.gz ZAMMZYVACQJDLS-UHFFFAOYSA-N 1 2 426.538 3.159 40 0 IGABLO Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225634131 557754790 /nfs/dbraw/zinc/75/47/90/557754790.db2.gz AWPMECVKNKDFSV-UHFFFAOYSA-N 1 2 427.570 3.062 40 0 IGABLO CCn1ncc(-c2ccnc3cc(C(=O)N4CC[NH+](Cc5cccc(C)c5)CC4)nn32)c1C ZINC000019638706 568625107 /nfs/dbraw/zinc/62/51/07/568625107.db2.gz DSZWVMPQPVNTEB-UHFFFAOYSA-N 1 2 443.555 3.188 40 0 IGABLO O=C(c1cccc(Nc2ncccn2)c1)N1CCOC[C@@H](Cc2ccc3[nH+]ccn3c2)C1 ZINC000257217685 568673215 /nfs/dbraw/zinc/67/32/15/568673215.db2.gz DADAXUCZPHSQRE-IBGZPJMESA-N 1 2 428.496 3.199 40 0 IGABLO Cc1cc(Nc2nncs2)cc([C@H]2CN(C(=O)COc3ccc(F)cc3F)CCO2)[nH+]1 ZINC000257226732 568677365 /nfs/dbraw/zinc/67/73/65/568677365.db2.gz FLXFYVUIXPJUMM-GOSISDBHSA-N 1 2 447.467 3.242 40 0 IGABLO CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(Nc4nnc(C)s4)n3)C2)cc1CO ZINC000257237683 568682747 /nfs/dbraw/zinc/68/27/47/568682747.db2.gz HHPSPRDAJHDCOR-FQEVSTJZSA-N 1 2 441.557 3.450 40 0 IGABLO CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(Nc4nnc(C)s4)n3)C2)cc1CO ZINC000257237683 568682749 /nfs/dbraw/zinc/68/27/49/568682749.db2.gz HHPSPRDAJHDCOR-FQEVSTJZSA-N 1 2 441.557 3.450 40 0 IGABLO CC1(C)CC2(CN1S(C)(=O)=O)CC[NH+](CC(=O)Nc1ccc(C(F)(F)F)cc1)CC2 ZINC000257248883 568687734 /nfs/dbraw/zinc/68/77/34/568687734.db2.gz JFQXSKDZDPIQFZ-UHFFFAOYSA-N 1 2 447.523 3.170 40 0 IGABLO O=C(C[NH+]1CCC(CO)(c2cccc(Nc3ccccn3)n2)CC1)Nc1ccccc1F ZINC000257249472 568688374 /nfs/dbraw/zinc/68/83/74/568688374.db2.gz JINUBKIWCHRIFO-UHFFFAOYSA-N 1 2 435.503 3.324 40 0 IGABLO Cc1nc(CC(=O)N2CCO[C@@H](c3cc(Nc4nnc(C)s4)cc(C)[nH+]3)C2)cs1 ZINC000257267159 568696357 /nfs/dbraw/zinc/69/63/57/568696357.db2.gz MGEKGLLLFYRTAJ-QGZVFWFLSA-N 1 2 430.559 3.201 40 0 IGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cc(OC)ccc1OC ZINC000261364114 568733531 /nfs/dbraw/zinc/73/35/31/568733531.db2.gz JIWVVOSTVPLHSA-NRFANRHFSA-O 1 2 439.517 3.179 40 0 IGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC)c(OC)c1 ZINC000261365444 568733539 /nfs/dbraw/zinc/73/35/39/568733539.db2.gz SILJHBSDHYEVEF-OAQYLSRUSA-O 1 2 439.517 3.179 40 0 IGABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)Cc4ccccc4C)CC2)C[N@@H+](C)C3)cc1 ZINC000306134191 568768283 /nfs/dbraw/zinc/76/82/83/568768283.db2.gz NFLVVWGNLRVYDZ-UHFFFAOYSA-N 1 2 445.567 3.268 40 0 IGABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)Cc4ccccc4C)CC2)C[N@H+](C)C3)cc1 ZINC000306134191 568768284 /nfs/dbraw/zinc/76/82/84/568768284.db2.gz NFLVVWGNLRVYDZ-UHFFFAOYSA-N 1 2 445.567 3.268 40 0 IGABLO Nc1ccc(-c2ccc([C@H]3CN(C(=O)Cc4ccc5c(c4)OCCCO5)CCO3)nc2)c[nH+]1 ZINC000019692261 569227834 /nfs/dbraw/zinc/22/78/34/569227834.db2.gz NOYWLHWHHIZNPT-HSZRJFAPSA-N 1 2 446.507 3.030 40 0 IGABLO COc1ccccc1/C=C/C[N@@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692975 569228425 /nfs/dbraw/zinc/22/84/25/569228425.db2.gz NURXUEBIRBNCOW-IMAOXBOFSA-N 1 2 432.528 3.095 40 0 IGABLO COc1ccccc1/C=C/C[N@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692975 569228426 /nfs/dbraw/zinc/22/84/26/569228426.db2.gz NURXUEBIRBNCOW-IMAOXBOFSA-N 1 2 432.528 3.095 40 0 IGABLO Cc1nc([C@@H]2CCN(C(=O)CCCn3c4ccccc4[nH+]c3C(C)C)C2)ncc1C(N)=O ZINC000019758116 569237354 /nfs/dbraw/zinc/23/73/54/569237354.db2.gz KRPYTAJHNHVSAT-QGZVFWFLSA-N 1 2 434.544 3.153 40 0 IGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cn(C(C)=O)c2ccccc12 ZINC000261366173 569315913 /nfs/dbraw/zinc/31/59/13/569315913.db2.gz XSIWRRJXICBWTJ-QFIPXVFZSA-O 1 2 446.512 3.387 40 0 IGABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)NC3CCCCC3)CC[N@@H+]21 ZINC000253399617 291354387 /nfs/dbraw/zinc/35/43/87/291354387.db2.gz JSCSIOFBMLIOOA-NRFANRHFSA-N 1 2 427.593 3.019 40 0 biogenic,in-vitro IGABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)NC3CCCCC3)CC[N@H+]21 ZINC000253399617 291354391 /nfs/dbraw/zinc/35/43/91/291354391.db2.gz JSCSIOFBMLIOOA-NRFANRHFSA-N 1 2 427.593 3.019 40 0 biogenic,in-vitro IGABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000012496690 521306729 /nfs/dbraw/zinc/30/67/29/521306729.db2.gz VOLZWKVHVWQOJR-SUWCGCSTSA-N 1 2 430.501 3.439 40 0 IGABLO Cc1ccc(N([C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000408616110 555986976 /nfs/dbraw/zinc/98/69/76/555986976.db2.gz VXKJPIKTSKQUFE-CLNPQZTCSA-N 1 2 441.597 3.007 40 0 IGABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCn3cc[nH+]c3)ccc2C)c(C)c1 ZINC000408616601 555987703 /nfs/dbraw/zinc/98/77/03/555987703.db2.gz HFRCHCICOKMHIR-UHFFFAOYSA-N 1 2 426.542 3.429 40 0 IGABLO Cc1nn2c(ncc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccc(Br)cc1 ZINC000038829607 556621058 /nfs/dbraw/zinc/62/10/58/556621058.db2.gz NXOGVSCVBQGUAY-UHFFFAOYSA-N 1 2 428.334 3.163 40 0 IGABLO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](CC(=O)c2ccc3c(c2)CCN3C(C)=O)CC1 ZINC000019021033 556693704 /nfs/dbraw/zinc/69/37/04/556693704.db2.gz KQUHUGUPLAHGTE-UHFFFAOYSA-N 1 2 437.515 3.045 40 0 IGABLO COc1cccc(-c2cccc(CC3(C(=O)NCC[NH+]4CCOCC4)CCOCC3)c2)c1 ZINC000257208323 556701977 /nfs/dbraw/zinc/70/19/77/556701977.db2.gz BLRRDSLLBMDVDH-UHFFFAOYSA-N 1 2 438.568 3.150 40 0 IGABLO Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCC[N@H+](CC(=O)Nc3ccccn3)C2)on1 ZINC000019124199 556702539 /nfs/dbraw/zinc/70/25/39/556702539.db2.gz DMFFDFMBIIAKSL-KRWDZBQOSA-N 1 2 431.500 3.214 40 0 IGABLO Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCC[N@@H+](CC(=O)Nc3ccccn3)C2)on1 ZINC000019124199 556702541 /nfs/dbraw/zinc/70/25/41/556702541.db2.gz DMFFDFMBIIAKSL-KRWDZBQOSA-N 1 2 431.500 3.214 40 0 IGABLO CC(C)[N@@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)c5ccc(F)cc5)C4)[nH]n3c(=O)c2C1 ZINC000019448083 556756941 /nfs/dbraw/zinc/75/69/41/556756941.db2.gz HBPMHYNRBCXIDE-KRWDZBQOSA-N 1 2 437.519 3.360 40 0 IGABLO CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)c5ccc(F)cc5)C4)[nH]n3c(=O)c2C1 ZINC000019448083 556756944 /nfs/dbraw/zinc/75/69/44/556756944.db2.gz HBPMHYNRBCXIDE-KRWDZBQOSA-N 1 2 437.519 3.360 40 0 IGABLO CC(C)[N@@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)c5ccccc5F)C4)[nH]n3c(=O)c2C1 ZINC000019448091 556757249 /nfs/dbraw/zinc/75/72/49/556757249.db2.gz OEUNWDXNQQKSOG-INIZCTEOSA-N 1 2 437.519 3.360 40 0 IGABLO CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)c5ccccc5F)C4)[nH]n3c(=O)c2C1 ZINC000019448091 556757251 /nfs/dbraw/zinc/75/72/51/556757251.db2.gz OEUNWDXNQQKSOG-INIZCTEOSA-N 1 2 437.519 3.360 40 0 IGABLO C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCCC2)CC4)CC1 ZINC000019462894 556767860 /nfs/dbraw/zinc/76/78/60/556767860.db2.gz CKBKQPDEGHBWTI-VQIMIIECSA-N 1 2 437.588 3.488 40 0 IGABLO C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCCC2)CC4)CC1 ZINC000019462894 556767864 /nfs/dbraw/zinc/76/78/64/556767864.db2.gz CKBKQPDEGHBWTI-VQIMIIECSA-N 1 2 437.588 3.488 40 0 IGABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000001352793 556780698 /nfs/dbraw/zinc/78/06/98/556780698.db2.gz RNOVOMZPJNATLS-UHFFFAOYSA-N 1 2 438.503 3.342 40 0 IGABLO COc1cccc2c(C)c(C(=O)N3CC[NH+](Cc4cc(-c5cccnc5)nn4C)CC3)[nH]c21 ZINC000019565783 556806420 /nfs/dbraw/zinc/80/64/20/556806420.db2.gz DDTZLNGFANTWOU-UHFFFAOYSA-N 1 2 444.539 3.238 40 0 IGABLO Cc1cc2cc(C[N@@H+](CCO)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000004848021 556823684 /nfs/dbraw/zinc/82/36/84/556823684.db2.gz FYOQIBYBBQWTRY-FQEVSTJZSA-N 1 2 426.565 3.078 40 0 IGABLO Cc1cc2cc(C[N@H+](CCO)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000004848021 556823687 /nfs/dbraw/zinc/82/36/87/556823687.db2.gz FYOQIBYBBQWTRY-FQEVSTJZSA-N 1 2 426.565 3.078 40 0 IGABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000006444112 556836643 /nfs/dbraw/zinc/83/66/43/556836643.db2.gz DLZGGZVTDPMCTR-HSZRJFAPSA-N 1 2 444.539 3.455 40 0 IGABLO Cc1nc(SCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc2ccccc12 ZINC000019681458 556841620 /nfs/dbraw/zinc/84/16/20/556841620.db2.gz DWZBIOOTXOGOBR-UHFFFAOYSA-N 1 2 436.537 3.103 40 0 IGABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c(C(N)=O)[nH]2)C1 ZINC000019698826 556857950 /nfs/dbraw/zinc/85/79/50/556857950.db2.gz OSOVPJZAHGTPHS-SFHVURJKSA-N 1 2 442.523 3.240 40 0 IGABLO COc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCC[N@H+](Cc5ncc[nH]5)C4)nc32)cc1 ZINC000019741673 556884598 /nfs/dbraw/zinc/88/45/98/556884598.db2.gz VGRBQDPLFARWIR-IBGZPJMESA-N 1 2 446.555 3.376 40 0 IGABLO COc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCC[N@@H+](Cc5ncc[nH]5)C4)nc32)cc1 ZINC000019741673 556884601 /nfs/dbraw/zinc/88/46/01/556884601.db2.gz VGRBQDPLFARWIR-IBGZPJMESA-N 1 2 446.555 3.376 40 0 IGABLO COc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN(Cc5[nH]cc[nH+]5)C4)nc32)cc1 ZINC000019741673 556884604 /nfs/dbraw/zinc/88/46/04/556884604.db2.gz VGRBQDPLFARWIR-IBGZPJMESA-N 1 2 446.555 3.376 40 0 IGABLO COc1ccccc1OCCNc1nc([C@H]2CCCCN2C(C)=O)nc2c1C[N@H+](C)CC2 ZINC000019752450 556896198 /nfs/dbraw/zinc/89/61/98/556896198.db2.gz KJYJVBHVFBVGDX-HXUWFJFHSA-N 1 2 439.560 3.038 40 0 IGABLO COc1ccccc1OCCNc1nc([C@H]2CCCCN2C(C)=O)nc2c1C[N@@H+](C)CC2 ZINC000019752450 556896202 /nfs/dbraw/zinc/89/62/02/556896202.db2.gz KJYJVBHVFBVGDX-HXUWFJFHSA-N 1 2 439.560 3.038 40 0 IGABLO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)nnc2c(-c3ccc(F)cc3)cnn21 ZINC000019817167 556919978 /nfs/dbraw/zinc/91/99/78/556919978.db2.gz CBXNXHKYJRWHDA-UHFFFAOYSA-N 1 2 430.487 3.197 40 0 IGABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1C[N@H+](Cc1cn(C)c3ccc(F)cc13)CC2 ZINC000072372389 556942540 /nfs/dbraw/zinc/94/25/40/556942540.db2.gz WIOHYUDEQZLCSY-QFIPXVFZSA-N 1 2 436.535 3.391 40 0 IGABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1C[N@@H+](Cc1cn(C)c3ccc(F)cc13)CC2 ZINC000072372389 556942542 /nfs/dbraw/zinc/94/25/42/556942542.db2.gz WIOHYUDEQZLCSY-QFIPXVFZSA-N 1 2 436.535 3.391 40 0 IGABLO Cc1cc2[nH]c(CCC(=O)Nc3ccc(NC(=O)CN4CCOCC4)c(C)c3)[nH+]c2cc1C ZINC000072391485 556962069 /nfs/dbraw/zinc/96/20/69/556962069.db2.gz AQXFIGWXVUJEAV-UHFFFAOYSA-N 1 2 449.555 3.330 40 0 IGABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCn3cc[nH+]c3)c(Cl)c2)cc1 ZINC000020105870 556982391 /nfs/dbraw/zinc/98/23/91/556982391.db2.gz GTWWGBSGQRZMOB-UHFFFAOYSA-N 1 2 432.933 3.466 40 0 IGABLO O=C(Nc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1F)c1ccc(Cl)cc1 ZINC000008810151 557171695 /nfs/dbraw/zinc/17/16/95/557171695.db2.gz HNKYTYRZWLMVJB-UHFFFAOYSA-N 1 2 436.896 3.297 40 0 IGABLO Cc1ccc(N2CC[N@H+](Cc3ccccc3)C3(CCN(C(=O)CC4CC4)CC3)C2=O)cn1 ZINC000096230409 557184896 /nfs/dbraw/zinc/18/48/96/557184896.db2.gz ZKDHEIMKVBPSRE-UHFFFAOYSA-N 1 2 432.568 3.400 40 0 IGABLO Cc1ccc(N2CC[N@@H+](Cc3ccccc3)C3(CCN(C(=O)CC4CC4)CC3)C2=O)cn1 ZINC000096230409 557184901 /nfs/dbraw/zinc/18/49/01/557184901.db2.gz ZKDHEIMKVBPSRE-UHFFFAOYSA-N 1 2 432.568 3.400 40 0 IGABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(O)CC3)c(=O)[nH]c2c1C ZINC000057589654 557249815 /nfs/dbraw/zinc/24/98/15/557249815.db2.gz ZCRJRJSFWLETFV-QFIPXVFZSA-N 1 2 436.560 3.183 40 0 IGABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(O)CC3)c(=O)[nH]c2c1C ZINC000057589657 557249855 /nfs/dbraw/zinc/24/98/55/557249855.db2.gz ZCRJRJSFWLETFV-JOCHJYFZSA-N 1 2 436.560 3.183 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(O)CC3)cc2c1 ZINC000057589509 557250047 /nfs/dbraw/zinc/25/00/47/557250047.db2.gz BPZNOXIAPMBQEE-QFIPXVFZSA-N 1 2 436.560 3.128 40 0 IGABLO CC[C@@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](Cc2ccncc2)CC4)C1 ZINC000100233687 557251072 /nfs/dbraw/zinc/25/10/72/557251072.db2.gz NXDSENOAJOHQGS-IEBWSBKVSA-N 1 2 448.571 3.140 40 0 IGABLO CC[C@@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](Cc2ccncc2)CC4)C1 ZINC000100233687 557251075 /nfs/dbraw/zinc/25/10/75/557251075.db2.gz NXDSENOAJOHQGS-IEBWSBKVSA-N 1 2 448.571 3.140 40 0 IGABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000057653472 557256255 /nfs/dbraw/zinc/25/62/55/557256255.db2.gz YPJPIUMVFNEGKH-LJQANCHMSA-N 1 2 426.565 3.304 40 0 IGABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000057653472 557256261 /nfs/dbraw/zinc/25/62/61/557256261.db2.gz YPJPIUMVFNEGKH-LJQANCHMSA-N 1 2 426.565 3.304 40 0 IGABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057653475 557256265 /nfs/dbraw/zinc/25/62/65/557256265.db2.gz BKIDEXYWZCEEKV-FQEVSTJZSA-N 1 2 426.565 3.304 40 0 IGABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057653475 557256272 /nfs/dbraw/zinc/25/62/72/557256272.db2.gz BKIDEXYWZCEEKV-FQEVSTJZSA-N 1 2 426.565 3.304 40 0 IGABLO Cc1ccc([NH+]2CCC(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)CC2)cc1 ZINC000219860201 557270282 /nfs/dbraw/zinc/27/02/82/557270282.db2.gz ZFMGNIXAUPSOPH-UHFFFAOYSA-N 1 2 427.570 3.051 40 0 IGABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495984 557326138 /nfs/dbraw/zinc/32/61/38/557326138.db2.gz SAJKHNCQDCOOBP-QFIPXVFZSA-N 1 2 446.555 3.207 40 0 IGABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495984 557326140 /nfs/dbraw/zinc/32/61/40/557326140.db2.gz SAJKHNCQDCOOBP-QFIPXVFZSA-N 1 2 446.555 3.207 40 0 IGABLO CCCN1CC[N@H+](Cc2cnc(OC)nc2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351578 557385956 /nfs/dbraw/zinc/38/59/56/557385956.db2.gz OYWZBPQUGFBFQI-QHCPKHFHSA-N 1 2 431.540 3.213 40 0 IGABLO CCCN1CC[N@@H+](Cc2cnc(OC)nc2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351578 557385958 /nfs/dbraw/zinc/38/59/58/557385958.db2.gz OYWZBPQUGFBFQI-QHCPKHFHSA-N 1 2 431.540 3.213 40 0 IGABLO CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223179667 557442216 /nfs/dbraw/zinc/44/22/16/557442216.db2.gz UIMOZZUDVXMQEV-FGZHOGPDSA-N 1 2 427.618 3.215 40 0 IGABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N[C@H](C)c1cc(C)c(C)cc1C ZINC000223478102 557476881 /nfs/dbraw/zinc/47/68/81/557476881.db2.gz NVBZFERGTUHMKP-HXUWFJFHSA-N 1 2 443.613 3.347 40 0 IGABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N[C@@H](C)c1cc(C)c(C)cc1C ZINC000223478156 557476946 /nfs/dbraw/zinc/47/69/46/557476946.db2.gz NVBZFERGTUHMKP-FQEVSTJZSA-N 1 2 443.613 3.347 40 0 IGABLO COCCn1nnnc1C[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000020109353 557515493 /nfs/dbraw/zinc/51/54/93/557515493.db2.gz KREKCYWVMMIKLT-UHFFFAOYSA-N 1 2 446.555 3.023 40 0 IGABLO COCCn1nnnc1C[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000020109353 557515495 /nfs/dbraw/zinc/51/54/95/557515495.db2.gz KREKCYWVMMIKLT-UHFFFAOYSA-N 1 2 446.555 3.023 40 0 IGABLO Cc1ccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C ZINC000224851860 557658808 /nfs/dbraw/zinc/65/88/08/557658808.db2.gz JZSRXUGTADITAV-UHFFFAOYSA-N 1 2 429.586 3.119 40 0 IGABLO S=C(NCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000225218281 557701348 /nfs/dbraw/zinc/70/13/48/557701348.db2.gz JONIEEKWSBCHOC-UHFFFAOYSA-N 1 2 434.569 3.378 40 0 IGABLO COc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCOCC4)cc3)CCOCC2)cc1 ZINC000225584181 557747206 /nfs/dbraw/zinc/74/72/06/557747206.db2.gz CAGOGUGKWCLLNL-UHFFFAOYSA-N 1 2 440.540 3.093 40 0 IGABLO Cc1cc(Nc2nncs2)cc([C@@H]2CN(C(=O)COc3ccc(F)cc3F)CCO2)[nH+]1 ZINC000257226733 568677376 /nfs/dbraw/zinc/67/73/76/568677376.db2.gz FLXFYVUIXPJUMM-SFHVURJKSA-N 1 2 447.467 3.242 40 0 IGABLO Fc1cccc(Cc2cncc([C@@H]3CCC[N@@H+]3Cc3ccnc(N4CCOCC4)n3)n2)c1 ZINC000257313597 568717154 /nfs/dbraw/zinc/71/71/54/568717154.db2.gz UTHXSVBRTBPHGK-QHCPKHFHSA-N 1 2 434.519 3.170 40 0 IGABLO Fc1cccc(Cc2cncc([C@@H]3CCC[N@H+]3Cc3ccnc(N4CCOCC4)n3)n2)c1 ZINC000257313597 568717155 /nfs/dbraw/zinc/71/71/55/568717155.db2.gz UTHXSVBRTBPHGK-QHCPKHFHSA-N 1 2 434.519 3.170 40 0 IGABLO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@H+](CC(=O)Nc3ccc4nc(C)[nH]c4c3)CC[C@H]21 ZINC000257327782 568723301 /nfs/dbraw/zinc/72/33/01/568723301.db2.gz XCSNYVUZPPZBQA-PQNGQFLHSA-N 1 2 431.540 3.146 40 0 IGABLO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@@H+](CC(=O)Nc3ccc4nc(C)[nH]c4c3)CC[C@H]21 ZINC000257327782 568723304 /nfs/dbraw/zinc/72/33/04/568723304.db2.gz XCSNYVUZPPZBQA-PQNGQFLHSA-N 1 2 431.540 3.146 40 0 IGABLO COc1ccc([C@H]2Nc3ccc(Br)cc3-c3c(=O)[nH]c(SC)n[n+]32)cc1O ZINC000261362337 568733217 /nfs/dbraw/zinc/73/32/17/568733217.db2.gz HYSVWNKGFFFRKF-INIZCTEOSA-O 1 2 448.322 3.308 40 0 IGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc2c(cc1Cl)OCO2 ZINC000261363978 568733429 /nfs/dbraw/zinc/73/34/29/568733429.db2.gz IVRUOUSAUPTODW-IBGZPJMESA-O 1 2 443.892 3.154 40 0 IGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1ccc(C)o1 ZINC000261363784 568733567 /nfs/dbraw/zinc/73/35/67/568733567.db2.gz IFCNBOIQAXPKBE-KRWDZBQOSA-O 1 2 448.322 3.436 40 0 IGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Cl)ccc1N(C(C)=O)[C@H]2c1ccc2c(c1)OCO2 ZINC000261365638 568733872 /nfs/dbraw/zinc/73/38/72/568733872.db2.gz UJCBXPKHEQFZTM-LJQANCHMSA-O 1 2 443.892 3.154 40 0 IGABLO C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)Cc3ccsc3)CC2)C1 ZINC000306144823 568773983 /nfs/dbraw/zinc/77/39/83/568773983.db2.gz ZPNIUAQLKZEIEZ-UHFFFAOYSA-N 1 2 425.533 3.152 40 0 IGABLO C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)Cc3ccsc3)CC2)C1 ZINC000306144823 568773985 /nfs/dbraw/zinc/77/39/85/568773985.db2.gz ZPNIUAQLKZEIEZ-UHFFFAOYSA-N 1 2 425.533 3.152 40 0 IGABLO O[C@@H](COc1ccc(Cl)cc1Cl)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000001473403 568788539 /nfs/dbraw/zinc/78/85/39/568788539.db2.gz CUECETIKZWRUNQ-QGZVFWFLSA-N 1 2 439.339 3.280 40 0 IGABLO OCCCNc1nc(Nc2ccccc2I)cc(-c2ccccc2)[nH+]1 ZINC000328959369 568807718 /nfs/dbraw/zinc/80/77/18/568807718.db2.gz ATPYOGJTVAOSIZ-UHFFFAOYSA-N 1 2 446.292 3.130 40 0 IGABLO COc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NCCCO)n2)c1 ZINC000328978753 568808081 /nfs/dbraw/zinc/80/80/81/568808081.db2.gz GACJALUSAJNIOD-UHFFFAOYSA-N 1 2 448.445 3.301 40 0 IGABLO CCCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000231645135 569186191 /nfs/dbraw/zinc/18/61/91/569186191.db2.gz OXZUZPBRMZLICA-YCFYUYSTSA-N 1 2 436.508 3.253 40 0 IGABLO COc1cc2c(cc1C[N@@H+]1CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C1)CCC2 ZINC000019692705 569228199 /nfs/dbraw/zinc/22/81/99/569228199.db2.gz NFMYMIKLTYTBKB-QHCPKHFHSA-N 1 2 446.555 3.070 40 0 IGABLO COc1cc2c(cc1C[N@H+]1CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C1)CCC2 ZINC000019692705 569228201 /nfs/dbraw/zinc/22/82/01/569228201.db2.gz NFMYMIKLTYTBKB-QHCPKHFHSA-N 1 2 446.555 3.070 40 0 IGABLO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2C[N@H+](Cc3cccnc3N(C)C)CCO2)cc1 ZINC000019692954 569228456 /nfs/dbraw/zinc/22/84/56/569228456.db2.gz HTMLVXMDEGVNMI-QFIPXVFZSA-N 1 2 448.571 3.253 40 0 IGABLO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2C[N@@H+](Cc3cccnc3N(C)C)CCO2)cc1 ZINC000019692954 569228458 /nfs/dbraw/zinc/22/84/58/569228458.db2.gz HTMLVXMDEGVNMI-QFIPXVFZSA-N 1 2 448.571 3.253 40 0 IGABLO COc1cccc(CN2C(=O)CCC[C@@H]3[C@H]2CC[N@@H+]3CC(=O)Nc2ccccc2F)c1 ZINC000019713273 569235616 /nfs/dbraw/zinc/23/56/16/569235616.db2.gz LATRBPUVGSQQJO-FGZHOGPDSA-N 1 2 425.504 3.428 40 0 IGABLO COc1cccc(CN2C(=O)CCC[C@@H]3[C@H]2CC[N@H+]3CC(=O)Nc2ccccc2F)c1 ZINC000019713273 569235618 /nfs/dbraw/zinc/23/56/18/569235618.db2.gz LATRBPUVGSQQJO-FGZHOGPDSA-N 1 2 425.504 3.428 40 0 IGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cccc(OC)c1OC ZINC000261362785 569315631 /nfs/dbraw/zinc/31/56/31/569315631.db2.gz FCMVAOUJDVYMHH-OAQYLSRUSA-O 1 2 439.517 3.179 40 0 IGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1ccc2c(c1)OCO2 ZINC000261362502 569315662 /nfs/dbraw/zinc/31/56/62/569315662.db2.gz DMDCCKHVSOGTJO-OAQYLSRUSA-O 1 2 437.501 3.281 40 0 IGABLO COc1ccccc1[C@@H]1CC(=O)c2c(C)nc(N3CCN(c4cccc[nH+]4)CC3)nc2C1 ZINC000010157305 132335002 /nfs/dbraw/zinc/33/50/02/132335002.db2.gz SALACJSBMSMKHK-SFHVURJKSA-N 1 2 429.524 3.428 40 0 IGABLO O=C(C[NH+]1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1)Nc1ccc2c(c1)OCO2 ZINC000012644625 526728125 /nfs/dbraw/zinc/72/81/25/526728125.db2.gz OOCIOUYWNPXTBR-UHFFFAOYSA-N 1 2 439.556 3.151 40 0 IGABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)[NH+]1CCCCC1 ZINC000000912173 555582788 /nfs/dbraw/zinc/58/27/88/555582788.db2.gz CPBSMZIQYGZWBG-HXUWFJFHSA-N 1 2 440.548 3.252 40 0 IGABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](CCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499073 556509600 /nfs/dbraw/zinc/50/96/00/556509600.db2.gz KDPLFODGMNQZRP-NRFANRHFSA-N 1 2 440.592 3.468 40 0 IGABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](CCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499073 556509603 /nfs/dbraw/zinc/50/96/03/556509603.db2.gz KDPLFODGMNQZRP-NRFANRHFSA-N 1 2 440.592 3.468 40 0 IGABLO O=C1Nc2cc(Cl)c(CC[NH+]3CCN(c4nsc5ccccc54)CC3)cc2C1=O ZINC000044136580 556666128 /nfs/dbraw/zinc/66/61/28/556666128.db2.gz VWHQRPYTDLERQO-UHFFFAOYSA-N 1 2 426.929 3.449 40 0 in-vitro IGABLO Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)CCn3cc[nH+]c3)CC2)on1 ZINC000019122826 556701622 /nfs/dbraw/zinc/70/16/22/556701622.db2.gz GMQISAKKECYORO-UHFFFAOYSA-N 1 2 435.532 3.033 40 0 IGABLO CC(C)[N@@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)c5cccc(F)c5)C4)[nH]n3c(=O)c2C1 ZINC000019448085 556756998 /nfs/dbraw/zinc/75/69/98/556756998.db2.gz FYZOVAYELSCZOB-QGZVFWFLSA-N 1 2 437.519 3.360 40 0 IGABLO CC(C)[N@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)c5cccc(F)c5)C4)[nH]n3c(=O)c2C1 ZINC000019448085 556757001 /nfs/dbraw/zinc/75/70/01/556757001.db2.gz FYZOVAYELSCZOB-QGZVFWFLSA-N 1 2 437.519 3.360 40 0 IGABLO C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCCC2)CC4)CC1 ZINC000019462890 556767918 /nfs/dbraw/zinc/76/79/18/556767918.db2.gz CKBKQPDEGHBWTI-APWZRJJASA-N 1 2 437.588 3.488 40 0 IGABLO C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCCC2)CC4)CC1 ZINC000019462890 556767921 /nfs/dbraw/zinc/76/79/21/556767921.db2.gz CKBKQPDEGHBWTI-APWZRJJASA-N 1 2 437.588 3.488 40 0 IGABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000001224200 556769293 /nfs/dbraw/zinc/76/92/93/556769293.db2.gz YQAXKLBYXSWIGZ-UHFFFAOYSA-N 1 2 442.629 3.178 40 0 IGABLO Cc1nc([C@@H]2CCCN(C(=O)Cn3c4ccccc4[nH+]c3C(C)C)C2)nc2c1CC(=O)N2C ZINC000019743870 556888844 /nfs/dbraw/zinc/88/88/44/556888844.db2.gz FHBGYXHQJIMVMH-QGZVFWFLSA-N 1 2 446.555 3.183 40 0 IGABLO CN(C)C(=O)[C@H]1C[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@]12COc1ccccc1C(=O)N2 ZINC000072334335 556906893 /nfs/dbraw/zinc/90/68/93/556906893.db2.gz WNDOKXBJPKALHU-OPAMFIHVSA-N 1 2 448.350 3.075 40 0 IGABLO CN(C)C(=O)[C@H]1C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@@]12COc1ccccc1C(=O)N2 ZINC000072334335 556906896 /nfs/dbraw/zinc/90/68/96/556906896.db2.gz WNDOKXBJPKALHU-OPAMFIHVSA-N 1 2 448.350 3.075 40 0 IGABLO Cc1nc([C@@H]2CCCN(C(=O)CCn3c4ccccc4[nH+]c3C(C)C)C2)ncc1C(N)=O ZINC000019763736 556908475 /nfs/dbraw/zinc/90/84/75/556908475.db2.gz XQHONNIOYVNMRF-QGZVFWFLSA-N 1 2 434.544 3.153 40 0 IGABLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCc2c(=O)[nH]c(-c3ccccn3)nc2C1 ZINC000072336799 556909518 /nfs/dbraw/zinc/90/95/18/556909518.db2.gz AVDUGDVKKQRZKN-UHFFFAOYSA-N 1 2 426.524 3.252 40 0 IGABLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCc2c(=O)[nH]c(-c3ccccn3)nc2C1 ZINC000072336799 556909521 /nfs/dbraw/zinc/90/95/21/556909521.db2.gz AVDUGDVKKQRZKN-UHFFFAOYSA-N 1 2 426.524 3.252 40 0 IGABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCC[C@H](C)C4)nc3C2)cc1Cn1cccn1 ZINC000072347348 556918626 /nfs/dbraw/zinc/91/86/26/556918626.db2.gz HAHRBECOQPAEBO-SFHVURJKSA-N 1 2 448.571 3.230 40 0 IGABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4CCC[C@H](C)C4)nc3C2)cc1Cn1cccn1 ZINC000072347348 556918630 /nfs/dbraw/zinc/91/86/30/556918630.db2.gz HAHRBECOQPAEBO-SFHVURJKSA-N 1 2 448.571 3.230 40 0 IGABLO O=C(NCC1CC1)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)c1cccc(F)c1)CCC2 ZINC000096251417 557188517 /nfs/dbraw/zinc/18/85/17/557188517.db2.gz CZNDDVCELQTORI-CPJSRVTESA-N 1 2 436.531 3.106 40 0 IGABLO CCC[C@]1(C(=O)OC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000012498126 557245195 /nfs/dbraw/zinc/24/51/95/557245195.db2.gz OKOQWIQBVSTCSX-YWNPBTLJSA-N 1 2 440.521 3.113 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(O)CC3)cc2c1 ZINC000057589512 557250005 /nfs/dbraw/zinc/25/00/05/557250005.db2.gz BPZNOXIAPMBQEE-JOCHJYFZSA-N 1 2 436.560 3.128 40 0 IGABLO Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(O)CC3)c(=O)[nH]c2cc1C ZINC000057589925 557253761 /nfs/dbraw/zinc/25/37/61/557253761.db2.gz YTIAXGPMEDBHIP-JOCHJYFZSA-N 1 2 436.560 3.183 40 0 IGABLO COc1ccc(Cn2nnnc2[C@@H](C(C)C)[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000057671057 557256880 /nfs/dbraw/zinc/25/68/80/557256880.db2.gz NZHOHWSINPTXPQ-HSZRJFAPSA-N 1 2 436.560 3.258 40 0 IGABLO COc1cccc(C[N@@H+]2Cc3ccccc3[C@]23CO[C@H](C(=O)NCCc2ccncc2)C3)c1 ZINC000107181372 557335777 /nfs/dbraw/zinc/33/57/77/557335777.db2.gz XBLDZVJOJPZHBO-BDYUSTAISA-N 1 2 443.547 3.449 40 0 IGABLO COc1cccc(C[N@H+]2Cc3ccccc3[C@]23CO[C@H](C(=O)NCCc2ccncc2)C3)c1 ZINC000107181372 557335780 /nfs/dbraw/zinc/33/57/80/557335780.db2.gz XBLDZVJOJPZHBO-BDYUSTAISA-N 1 2 443.547 3.449 40 0 IGABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1CC[NH+]1CCOCC1 ZINC000223150300 557439271 /nfs/dbraw/zinc/43/92/71/557439271.db2.gz MHRMBGWCYOUILD-PKTZIBPZSA-N 1 2 433.581 3.177 40 0 IGABLO COCCn1nnnc1C[N@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000019569279 557500960 /nfs/dbraw/zinc/50/09/60/557500960.db2.gz NYPKKPGZTLCDON-UHFFFAOYSA-N 1 2 446.555 3.023 40 0 IGABLO COCCn1nnnc1C[N@@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000019569279 557500963 /nfs/dbraw/zinc/50/09/63/557500963.db2.gz NYPKKPGZTLCDON-UHFFFAOYSA-N 1 2 446.555 3.023 40 0 IGABLO COC(=O)[C@]1(CCSC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000020150583 557516221 /nfs/dbraw/zinc/51/62/21/557516221.db2.gz XRDFBFRVSINNEM-NWZZKEMCSA-N 1 2 448.541 3.002 40 0 IGABLO CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000225778491 557776835 /nfs/dbraw/zinc/77/68/35/557776835.db2.gz OXCSBCKSSOJIOS-UHFFFAOYSA-N 1 2 427.570 3.491 40 0 IGABLO O=C(NC1CCCCC1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000015707355 560096702 /nfs/dbraw/zinc/09/67/02/560096702.db2.gz ZOVQFGZKQDYTKT-KRWDZBQOSA-N 1 2 436.472 3.330 40 0 biogenic,in-vitro IGABLO O=C(NC1CCCCC1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000015707355 560096704 /nfs/dbraw/zinc/09/67/04/560096704.db2.gz ZOVQFGZKQDYTKT-KRWDZBQOSA-N 1 2 436.472 3.330 40 0 biogenic,in-vitro IGABLO Cc1nc(N)cc(C2(C)CCN(C(=O)C3(C)CCN(C(=O)c4ccccc4)CC3)CC2)[nH+]1 ZINC000257201899 568666178 /nfs/dbraw/zinc/66/61/78/568666178.db2.gz AJOJGXRZDOOSOC-UHFFFAOYSA-N 1 2 435.572 3.190 40 0 IGABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccccc1N1CCCC1)CC2 ZINC000257204995 568667673 /nfs/dbraw/zinc/66/76/73/568667673.db2.gz AXERAWJGCYIMOO-FQEVSTJZSA-N 1 2 434.588 3.013 40 0 IGABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccccc1N1CCCC1)CC2 ZINC000257204995 568667674 /nfs/dbraw/zinc/66/76/74/568667674.db2.gz AXERAWJGCYIMOO-FQEVSTJZSA-N 1 2 434.588 3.013 40 0 IGABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@H]1Oc1cccc(F)c1 ZINC000257270700 568697845 /nfs/dbraw/zinc/69/78/45/568697845.db2.gz MVHPRBYPIUXPMU-ICSRJNTNSA-N 1 2 437.309 3.431 40 0 IGABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@H]1Oc1cccc(F)c1 ZINC000257270700 568697848 /nfs/dbraw/zinc/69/78/48/568697848.db2.gz MVHPRBYPIUXPMU-ICSRJNTNSA-N 1 2 437.309 3.431 40 0 IGABLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000257276365 568700605 /nfs/dbraw/zinc/70/06/05/568700605.db2.gz NTJLTSVCRBMKRG-UNMCSNQZSA-N 1 2 431.920 3.141 40 0 IGABLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000257276365 568700608 /nfs/dbraw/zinc/70/06/08/568700608.db2.gz NTJLTSVCRBMKRG-UNMCSNQZSA-N 1 2 431.920 3.141 40 0 IGABLO CN1CCN(C(=O)C[N@H+](C)Cc2cccnc2)[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000257336762 568727380 /nfs/dbraw/zinc/72/73/80/568727380.db2.gz YPYGGNRKSUZVMB-QFIPXVFZSA-N 1 2 448.592 3.154 40 0 IGABLO CN1CCN(C(=O)C[N@@H+](C)Cc2cccnc2)[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000257336762 568727382 /nfs/dbraw/zinc/72/73/82/568727382.db2.gz YPYGGNRKSUZVMB-QFIPXVFZSA-N 1 2 448.592 3.154 40 0 IGABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc2c(c1)OCO2 ZINC000261365326 568733370 /nfs/dbraw/zinc/73/33/70/568733370.db2.gz RKTAIHAFQDKXGO-NRFANRHFSA-O 1 2 437.501 3.281 40 0 IGABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@H+](Cc3cnn(C(C)C)c3)C[C@H]1S2(=O)=O ZINC000306123539 568762840 /nfs/dbraw/zinc/76/28/40/568762840.db2.gz APRQZJZQZZIACW-IFMALSPDSA-N 1 2 438.553 3.290 40 0 IGABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@@H+](Cc3cnn(C(C)C)c3)C[C@H]1S2(=O)=O ZINC000306123539 568762841 /nfs/dbraw/zinc/76/28/41/568762841.db2.gz APRQZJZQZZIACW-IFMALSPDSA-N 1 2 438.553 3.290 40 0 IGABLO Cc1ccccc1CC(=O)N1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306140901 568771914 /nfs/dbraw/zinc/77/19/14/568771914.db2.gz VGLOZUGXNJUXTA-UHFFFAOYSA-N 1 2 433.531 3.398 40 0 IGABLO Cc1ccccc1CC(=O)N1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306140901 568771916 /nfs/dbraw/zinc/77/19/16/568771916.db2.gz VGLOZUGXNJUXTA-UHFFFAOYSA-N 1 2 433.531 3.398 40 0 IGABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)C4CCC4)C[C@@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306144305 568773695 /nfs/dbraw/zinc/77/36/95/568773695.db2.gz ZBVWLXMPFHNHGK-XXBNENTESA-N 1 2 441.601 3.374 40 0 IGABLO Cc1nc(CN2CC[C@]3(CN(C(=O)C4CCC4)C[C@@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306144302 568773725 /nfs/dbraw/zinc/77/37/25/568773725.db2.gz ZBVWLXMPFHNHGK-AUSIDOKSSA-N 1 2 441.601 3.374 40 0 IGABLO COc1ncccc1C[N@@H+]1CCN(C)[C@@H](c2nnn3cc(-c4cccc(F)c4)ccc23)C1 ZINC000306144644 568773906 /nfs/dbraw/zinc/77/39/06/568773906.db2.gz ZKWBSWPJTCGRLG-JOCHJYFZSA-N 1 2 432.503 3.428 40 0 IGABLO COc1ncccc1C[N@H+]1CCN(C)[C@@H](c2nnn3cc(-c4cccc(F)c4)ccc23)C1 ZINC000306144644 568773908 /nfs/dbraw/zinc/77/39/08/568773908.db2.gz ZKWBSWPJTCGRLG-JOCHJYFZSA-N 1 2 432.503 3.428 40 0 IGABLO C[C@@H](CO)Nc1nc(Nc2ccccc2I)cc(-c2ccccc2)[nH+]1 ZINC000328961557 568807667 /nfs/dbraw/zinc/80/76/67/568807667.db2.gz BDYAJBNICYOGNR-ZDUSSCGKSA-N 1 2 446.292 3.128 40 0 IGABLO Cc1nc(C2CCN(C(=O)CCn3c4ccccc4[nH+]c3C(C)C)CC2)ncc1C(N)=O ZINC000019766613 569239492 /nfs/dbraw/zinc/23/94/92/569239492.db2.gz UUYHAHJLXWIDRX-UHFFFAOYSA-N 1 2 434.544 3.153 40 0 IGABLO COc1ccc([C@H]2N(C(C)=O)c3ccc(Cl)cc3-c3c(=O)[nH]c(SC)n[n+]32)cc1 ZINC000261363138 569315591 /nfs/dbraw/zinc/31/55/91/569315591.db2.gz GELGAWSBTPDRFO-IBGZPJMESA-O 1 2 429.909 3.434 40 0 IGABLO CCNC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C(C)C ZINC000030881634 291355174 /nfs/dbraw/zinc/35/51/74/291355174.db2.gz YYJPCZJQAGMQIO-FKBYEOEOSA-N 1 2 441.620 3.294 40 0 biogenic,in-vitro IGABLO Cn1nc(C2CCCC2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccs1 ZINC000012602149 291360879 /nfs/dbraw/zinc/36/08/79/291360879.db2.gz LKRZESZXFCQWGF-KSZLIROESA-N 1 2 434.631 3.296 40 0 biogenic,in-vitro IGABLO CCCOc1ccc(C(=O)[C@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000022861982 520340645 /nfs/dbraw/zinc/34/06/45/520340645.db2.gz RAMJYYGIGMBUCY-RPBOFIJWSA-N 1 2 438.568 3.432 40 0 IGABLO CCCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000012497068 521122555 /nfs/dbraw/zinc/12/25/55/521122555.db2.gz BZTWKTRXVDPWHM-UGCAPWQASA-N 1 2 436.508 3.334 40 0 IGABLO CCCC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000012497367 521255215 /nfs/dbraw/zinc/25/52/15/521255215.db2.gz OXZUZPBRMZLICA-PDFGSZSQSA-N 1 2 436.508 3.253 40 0 IGABLO CC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000035290800 523130663 /nfs/dbraw/zinc/13/06/63/523130663.db2.gz OZXYAXUEUXNAAD-IBGZPJMESA-N 1 2 440.935 3.377 40 0 IGABLO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)on1 ZINC000012128183 526046154 /nfs/dbraw/zinc/04/61/54/526046154.db2.gz VUYLBBSQUXDKLK-MRXNPFEDSA-N 1 2 435.484 3.295 40 0 IGABLO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)on1 ZINC000012128183 526046168 /nfs/dbraw/zinc/04/61/68/526046168.db2.gz VUYLBBSQUXDKLK-MRXNPFEDSA-N 1 2 435.484 3.295 40 0 IGABLO c1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc4c(c3)OCO4)n2)cc(N2CCOCC2)n1 ZINC000035424610 526416438 /nfs/dbraw/zinc/41/64/38/526416438.db2.gz QHPQPNRCVHOOHY-SFHVURJKSA-N 1 2 435.484 3.034 40 0 biogenic,in-vitro IGABLO c1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc4c(c3)OCO4)n2)cc(N2CCOCC2)n1 ZINC000035424610 526416441 /nfs/dbraw/zinc/41/64/41/526416441.db2.gz QHPQPNRCVHOOHY-SFHVURJKSA-N 1 2 435.484 3.034 40 0 biogenic,in-vitro IGABLO O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000022427759 526705429 /nfs/dbraw/zinc/70/54/29/526705429.db2.gz BOPWTLIALGTVIS-UHFFFAOYSA-N 1 2 446.532 3.384 40 0 IGABLO COc1ccc(OC)c(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)C3CC3)n2)c1 ZINC000000881205 555577449 /nfs/dbraw/zinc/57/74/49/555577449.db2.gz UOAVVJTVZVDOMX-UHFFFAOYSA-N 1 2 431.558 3.293 40 0 IGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)[NH+]1CCCCC1 ZINC000000912175 555582761 /nfs/dbraw/zinc/58/27/61/555582761.db2.gz CPBSMZIQYGZWBG-FQEVSTJZSA-N 1 2 440.548 3.252 40 0 IGABLO COc1ccc([C@H]2[C@H]3CCC[C@@H]([C@H](c4ccc(OC)cc4)[N@@H+]2C)C32NC(=O)NC2=O)cc1 ZINC000005618546 556060636 /nfs/dbraw/zinc/06/06/36/556060636.db2.gz VTJKPXDJRWVZTI-VKQCNIHFSA-N 1 2 435.524 3.426 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)cc12 ZINC000006322152 556084823 /nfs/dbraw/zinc/08/48/23/556084823.db2.gz ZTJJKIRYHVYXKJ-VPKVUBIPSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)cc12 ZINC000006322152 556084826 /nfs/dbraw/zinc/08/48/26/556084826.db2.gz ZTJJKIRYHVYXKJ-VPKVUBIPSA-N 1 2 436.560 3.132 40 0 IGABLO CC[C@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711733 556284441 /nfs/dbraw/zinc/28/44/41/556284441.db2.gz UBDFWKVXHXYALU-UQNNOOFXSA-N 1 2 441.597 3.089 40 0 IGABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)CC1 ZINC000037093216 556447222 /nfs/dbraw/zinc/44/72/22/556447222.db2.gz VTNBMGXKQLECSJ-UHFFFAOYSA-N 1 2 425.913 3.058 40 0 IGABLO CN1c2ccc(Br)cc2/C(=C2\SC(=O)N(C[NH+]3CCCCC3)C2=O)C1=O ZINC000031772115 556526149 /nfs/dbraw/zinc/52/61/49/556526149.db2.gz KLZKJTIWEHMPNU-CCEZHUSRSA-N 1 2 436.331 3.275 40 0 IGABLO CC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@]3(C2)CCCCC(=O)N3)cc1 ZINC000257231760 556709394 /nfs/dbraw/zinc/70/93/94/556709394.db2.gz GIBSKWLEACGDNE-WIOPSUGQSA-N 1 2 437.515 3.495 40 0 IGABLO CC(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@]3(C2)CCCCC(=O)N3)cc1 ZINC000257231760 556709396 /nfs/dbraw/zinc/70/93/96/556709396.db2.gz GIBSKWLEACGDNE-WIOPSUGQSA-N 1 2 437.515 3.495 40 0 IGABLO COc1cccc([C@H]2NC3=[NH+]CN(Cc4ccccn4)CN3c3nc4ccccc4n32)c1 ZINC000054123578 556728923 /nfs/dbraw/zinc/72/89/23/556728923.db2.gz GLMRCMQKQGFAAW-QFIPXVFZSA-N 1 2 425.496 3.183 40 0 IGABLO Cc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)NC3CCCCC3)cc2c1 ZINC000000883315 556734274 /nfs/dbraw/zinc/73/42/74/556734274.db2.gz LWLLDZAURYGGIH-UHFFFAOYSA-N 1 2 442.629 3.178 40 0 IGABLO O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349388 556744370 /nfs/dbraw/zinc/74/43/70/556744370.db2.gz XEKNCUAECOATKY-JTSKRJEESA-N 1 2 436.531 3.487 40 0 IGABLO O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019349388 556744374 /nfs/dbraw/zinc/74/43/74/556744374.db2.gz XEKNCUAECOATKY-JTSKRJEESA-N 1 2 436.531 3.487 40 0 IGABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004848035 556823705 /nfs/dbraw/zinc/82/37/05/556823705.db2.gz SZBHYEXRLIQHMP-HXUWFJFHSA-N 1 2 426.565 3.222 40 0 IGABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004848035 556823706 /nfs/dbraw/zinc/82/37/06/556823706.db2.gz SZBHYEXRLIQHMP-HXUWFJFHSA-N 1 2 426.565 3.222 40 0 IGABLO Cc1nc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C2)sc1C ZINC000019698988 556857941 /nfs/dbraw/zinc/85/79/41/556857941.db2.gz VSYRLQVTMPCAAO-MRXNPFEDSA-N 1 2 438.557 3.067 40 0 IGABLO Cc1nc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C2)sc1C ZINC000019698988 556857943 /nfs/dbraw/zinc/85/79/43/556857943.db2.gz VSYRLQVTMPCAAO-MRXNPFEDSA-N 1 2 438.557 3.067 40 0 IGABLO CNc1nc([C@@H]2CCCN(C(=O)C(C)(C)c3ccc(OC)cc3)C2)nc2c1C[N@H+](C)CC2 ZINC000019710542 556873777 /nfs/dbraw/zinc/87/37/77/556873777.db2.gz ULMMRQNYUWNBJI-QGZVFWFLSA-N 1 2 437.588 3.199 40 0 IGABLO CNc1nc([C@@H]2CCCN(C(=O)C(C)(C)c3ccc(OC)cc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710542 556873780 /nfs/dbraw/zinc/87/37/80/556873780.db2.gz ULMMRQNYUWNBJI-QGZVFWFLSA-N 1 2 437.588 3.199 40 0 IGABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 ZINC000072334935 556907692 /nfs/dbraw/zinc/90/76/92/556907692.db2.gz KXKKMTABFFIQOD-QGZVFWFLSA-N 1 2 433.537 3.494 40 0 IGABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C3)C[C@H](C)O1 ZINC000072347270 556918379 /nfs/dbraw/zinc/91/83/79/556918379.db2.gz XTKNZSXINCWYTL-KBPBESRZSA-N 1 2 438.450 3.253 40 0 IGABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C3)C[C@H](C)O1 ZINC000072347270 556918381 /nfs/dbraw/zinc/91/83/81/556918381.db2.gz XTKNZSXINCWYTL-KBPBESRZSA-N 1 2 438.450 3.253 40 0 IGABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1C[N@H+](Cc1ccccc1N1CCCC1)CC2 ZINC000072372381 556942482 /nfs/dbraw/zinc/94/24/82/556942482.db2.gz UPSUBCNHSNACCU-QHCPKHFHSA-N 1 2 434.588 3.360 40 0 IGABLO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1C[N@@H+](Cc1ccccc1N1CCCC1)CC2 ZINC000072372381 556942484 /nfs/dbraw/zinc/94/24/84/556942484.db2.gz UPSUBCNHSNACCU-QHCPKHFHSA-N 1 2 434.588 3.360 40 0 IGABLO COc1ccccc1CNc1[nH]nc2nc([C@@H]3CCCN(C(=O)C[NH+]4CCCC4)C3)ccc21 ZINC000072374475 556948279 /nfs/dbraw/zinc/94/82/79/556948279.db2.gz TWJHCAFHRLTUDW-LJQANCHMSA-N 1 2 448.571 3.380 40 0 IGABLO COCc1nnc(NC(=O)C[N@@H+]2CC[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)s1 ZINC000072374812 556949013 /nfs/dbraw/zinc/94/90/13/556949013.db2.gz HDYJNUXMUDBWMM-IBGZPJMESA-N 1 2 437.569 3.407 40 0 IGABLO COCc1nnc(NC(=O)C[N@H+]2CC[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)s1 ZINC000072374812 556949017 /nfs/dbraw/zinc/94/90/17/556949017.db2.gz HDYJNUXMUDBWMM-IBGZPJMESA-N 1 2 437.569 3.407 40 0 IGABLO O=C(c1cccc(F)c1)N1CC[NH+](Cc2cc(-c3ccc(F)cc3)cn3nnnc23)CC1 ZINC000072392361 556963223 /nfs/dbraw/zinc/96/32/23/556963223.db2.gz SJXSLFGZVLBHAN-UHFFFAOYSA-N 1 2 434.450 3.028 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@@H](C)C3)cc12 ZINC000001224950 557120757 /nfs/dbraw/zinc/12/07/57/557120757.db2.gz ZTJJKIRYHVYXKJ-YBOAYWMSSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@@H](C)C3)cc12 ZINC000001224950 557120759 /nfs/dbraw/zinc/12/07/59/557120759.db2.gz ZTJJKIRYHVYXKJ-YBOAYWMSSA-N 1 2 436.560 3.132 40 0 IGABLO C[C@@H]1CCC[N@@H+]([C@H](c2nnnn2C2CCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000006283161 557130190 /nfs/dbraw/zinc/13/01/90/557130190.db2.gz BGTJHNVUOGMCFK-SZNDQCEHSA-N 1 2 436.516 3.180 40 0 IGABLO C[C@@H]1CCC[N@H+]([C@H](c2nnnn2C2CCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000006283161 557130194 /nfs/dbraw/zinc/13/01/94/557130194.db2.gz BGTJHNVUOGMCFK-SZNDQCEHSA-N 1 2 436.516 3.180 40 0 IGABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006148993 557146258 /nfs/dbraw/zinc/14/62/58/557146258.db2.gz PZZWKVYSDXGKJP-HSZRJFAPSA-N 1 2 444.539 3.393 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006198281 557149750 /nfs/dbraw/zinc/14/97/50/557149750.db2.gz VSNXUSFVUJDKOD-SIKLNZKXSA-N 1 2 436.560 3.077 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006198048 557149801 /nfs/dbraw/zinc/14/98/01/557149801.db2.gz VSNXUSFVUJDKOD-KNQAVFIVSA-N 1 2 436.560 3.077 40 0 IGABLO CC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC[C@H](Cc2cccn3cc[nH+]c23)CC1 ZINC000585262021 557198464 /nfs/dbraw/zinc/19/84/64/557198464.db2.gz ZVXJWJPVRJGCCS-FQEVSTJZSA-N 1 2 448.567 3.479 40 0 IGABLO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2cc(-c3ccccc3)no2)CC[C@@]1(C)O ZINC000604383287 557237440 /nfs/dbraw/zinc/23/74/40/557237440.db2.gz SIEWJOIJGYJZOP-RJGXRXQPSA-N 1 2 441.553 3.232 40 0 biogenic,in-vitro IGABLO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2cc(-c3ccccc3)no2)CC[C@@]1(C)O ZINC000604383287 557237442 /nfs/dbraw/zinc/23/74/42/557237442.db2.gz SIEWJOIJGYJZOP-RJGXRXQPSA-N 1 2 441.553 3.232 40 0 biogenic,in-vitro IGABLO CC[C@@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](Cc2ccncc2)CC4)C1 ZINC000100233681 557250285 /nfs/dbraw/zinc/25/02/85/557250285.db2.gz NXDSENOAJOHQGS-MJGOQNOKSA-N 1 2 448.571 3.140 40 0 IGABLO CC[C@@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](Cc2ccncc2)CC4)C1 ZINC000100233681 557250289 /nfs/dbraw/zinc/25/02/89/557250289.db2.gz NXDSENOAJOHQGS-MJGOQNOKSA-N 1 2 448.571 3.140 40 0 IGABLO Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000223150748 557439474 /nfs/dbraw/zinc/43/94/74/557439474.db2.gz VNVNOLVIIFMKBJ-BJKOFHAPSA-N 1 2 447.608 3.485 40 0 IGABLO COc1cc(C)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C(C)C ZINC000223439040 557472340 /nfs/dbraw/zinc/47/23/40/557472340.db2.gz JMFRTZLWCFQTGI-UHFFFAOYSA-N 1 2 432.586 3.438 40 0 IGABLO Cc1cc(C)c([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000223477129 557476471 /nfs/dbraw/zinc/47/64/71/557476471.db2.gz DWTRZXQMAXWMCS-FQEVSTJZSA-N 1 2 443.613 3.180 40 0 IGABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000019222124 557498114 /nfs/dbraw/zinc/49/81/14/557498114.db2.gz AVHVPQIIXBOGAC-UHFFFAOYSA-N 1 2 426.561 3.013 40 0 IGABLO CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223662184 557498998 /nfs/dbraw/zinc/49/89/98/557498998.db2.gz TUOOIGSRGYNUSF-GOTSBHOMSA-N 1 2 449.580 3.474 40 0 IGABLO O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCC[NH+]1CCOCC1 ZINC000019342471 557499202 /nfs/dbraw/zinc/49/92/02/557499202.db2.gz RHOJABUCOGTADE-UHFFFAOYSA-N 1 2 444.479 3.076 40 0 IGABLO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=O)NCc3ccccc3)cc2c1 ZINC000019523002 557501752 /nfs/dbraw/zinc/50/17/52/557501752.db2.gz HENKNCWBKDTEDU-UHFFFAOYSA-N 1 2 448.567 3.135 40 0 IGABLO O=C(c1cccc(Nc2ncccn2)c1)N1CCOC[C@H](Cc2ccc3[nH+]ccn3c2)C1 ZINC000257217686 568673060 /nfs/dbraw/zinc/67/30/60/568673060.db2.gz DADAXUCZPHSQRE-LJQANCHMSA-N 1 2 428.496 3.199 40 0 IGABLO O=C(c1cccc(OCC[NH+]2CCOCC2)c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000257321322 568720549 /nfs/dbraw/zinc/72/05/49/568720549.db2.gz WBCXMQIUWYBECC-UBFVSLLYSA-N 1 2 436.552 3.042 40 0 IGABLO Cc1[nH+]ccn1CCC(=O)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000257341046 568728863 /nfs/dbraw/zinc/72/88/63/568728863.db2.gz ZIPWJHFPTDDZOB-OAQYLSRUSA-N 1 2 443.935 3.180 40 0 IGABLO Cc1[nH+]ccn1CCC(=O)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000257341045 568729006 /nfs/dbraw/zinc/72/90/06/568729006.db2.gz ZIPWJHFPTDDZOB-NRFANRHFSA-N 1 2 443.935 3.180 40 0 IGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000261362059 568733146 /nfs/dbraw/zinc/73/31/46/568733146.db2.gz BYHYDOGVRMWMAS-OAQYLSRUSA-O 1 2 439.517 3.179 40 0 IGABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc2c(c1)OCO2 ZINC000261364719 568733471 /nfs/dbraw/zinc/73/34/71/568733471.db2.gz NCTQUTLKKISSGK-NRFANRHFSA-O 1 2 437.501 3.281 40 0 IGABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccco3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306123617 568762827 /nfs/dbraw/zinc/76/28/27/568762827.db2.gz ARZXHQOYBZWYIE-YADARESESA-N 1 2 433.512 3.111 40 0 IGABLO Cc1nc2c(n1CC1CC1)C[N@H+](Cc1cccnc1)CC21CCN(c2ncccn2)CC1 ZINC000306129149 568765517 /nfs/dbraw/zinc/76/55/17/568765517.db2.gz HVSKBTHSJXPYBL-UHFFFAOYSA-N 1 2 429.572 3.341 40 0 IGABLO Cc1nc2c(n1CC1CC1)C[N@@H+](Cc1cccnc1)CC21CCN(c2ncccn2)CC1 ZINC000306129149 568765518 /nfs/dbraw/zinc/76/55/18/568765518.db2.gz HVSKBTHSJXPYBL-UHFFFAOYSA-N 1 2 429.572 3.341 40 0 IGABLO Cc1[nH+]c2c(n1CC1CC1)CN(Cc1cccnc1)CC21CCN(c2ncccn2)CC1 ZINC000306129149 568765519 /nfs/dbraw/zinc/76/55/19/568765519.db2.gz HVSKBTHSJXPYBL-UHFFFAOYSA-N 1 2 429.572 3.341 40 0 IGABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)C4CCC4)C[C@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306144303 568773664 /nfs/dbraw/zinc/77/36/64/568773664.db2.gz ZBVWLXMPFHNHGK-CVDCTZTESA-N 1 2 441.601 3.374 40 0 IGABLO C[C@@H](CO)Nc1nc(NCc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329029756 568809646 /nfs/dbraw/zinc/80/96/46/568809646.db2.gz QAXLNZBZMIXIDM-ZDUSSCGKSA-N 1 2 436.409 3.430 40 0 IGABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000231644396 569186169 /nfs/dbraw/zinc/18/61/69/569186169.db2.gz OKOQWIQBVSTCSX-ZQAYVECASA-N 1 2 440.521 3.113 40 0 IGABLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1Cn1nc(C)cc1C ZINC000019764483 569238322 /nfs/dbraw/zinc/23/83/22/569238322.db2.gz BAIBYYJGRHKQAD-QFIPXVFZSA-N 1 2 448.571 3.481 40 0 IGABLO COc1ccc(C[N@H+]2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1Cn1nc(C)cc1C ZINC000019764483 569238323 /nfs/dbraw/zinc/23/83/23/569238323.db2.gz BAIBYYJGRHKQAD-QFIPXVFZSA-N 1 2 448.571 3.481 40 0 IGABLO COc1ccc(Cl)cc1[C@@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261366445 569315969 /nfs/dbraw/zinc/31/59/69/569315969.db2.gz ZUIZQCQDUHIQLG-LJQANCHMSA-O 1 2 429.909 3.434 40 0 IGABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)CCc3ccccc3)CC[N@H+]21 ZINC000253408336 291354338 /nfs/dbraw/zinc/35/43/38/291354338.db2.gz XLUIVKOYTVQZEQ-QHCPKHFHSA-N 1 2 434.584 3.136 40 0 biogenic,in-vitro IGABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)CCc3ccccc3)CC[N@@H+]21 ZINC000253408336 291354336 /nfs/dbraw/zinc/35/43/36/291354336.db2.gz XLUIVKOYTVQZEQ-QHCPKHFHSA-N 1 2 434.584 3.136 40 0 biogenic,in-vitro IGABLO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCCN4Cc4[nH]cc[nH+]4)n3)cn2)cc1 ZINC000049155278 291358450 /nfs/dbraw/zinc/35/84/50/291358450.db2.gz BPMRVMRPKNDFAG-SFHVURJKSA-N 1 2 445.483 3.453 40 0 biogenic,in-vitro IGABLO CC(C)C[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000013505155 132348718 /nfs/dbraw/zinc/34/87/18/132348718.db2.gz RKOVXSFXZKYXMY-OAQYLSRUSA-N 1 2 434.544 3.360 40 0 IGABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)CC1 ZINC000020798737 520581650 /nfs/dbraw/zinc/58/16/50/520581650.db2.gz UNSCKEWYCWEMFD-OAHLLOKOSA-N 1 2 432.826 3.266 40 0 IGABLO CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000022523277 521846849 /nfs/dbraw/zinc/84/68/49/521846849.db2.gz JMCXPPYLIWRNCQ-FQEVSTJZSA-N 1 2 446.960 3.387 40 0 IGABLO C[N@@H+]1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464101 524012792 /nfs/dbraw/zinc/01/27/92/524012792.db2.gz FCVFUNVECMCOMN-BBRMVZONSA-N 1 2 433.390 3.205 40 0 biogenic,in-vitro IGABLO C[N@H+]1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464101 524012795 /nfs/dbraw/zinc/01/27/95/524012795.db2.gz FCVFUNVECMCOMN-BBRMVZONSA-N 1 2 433.390 3.205 40 0 biogenic,in-vitro IGABLO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(F)cc1)[N@H+]1CCC[C@@H]21 ZINC000035877096 524217314 /nfs/dbraw/zinc/21/73/14/524217314.db2.gz HTVROKSUZNDXQZ-QLIIJSOBSA-N 1 2 442.874 3.323 40 0 IGABLO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(F)cc1)[N@@H+]1CCC[C@@H]21 ZINC000035877096 524217322 /nfs/dbraw/zinc/21/73/22/524217322.db2.gz HTVROKSUZNDXQZ-QLIIJSOBSA-N 1 2 442.874 3.323 40 0 IGABLO O=C(Cn1c2cccnc2n(Cc2cccs2)c1=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000012116192 527362099 /nfs/dbraw/zinc/36/20/99/527362099.db2.gz SXZYGOCBJOKMOX-UHFFFAOYSA-N 1 2 430.493 3.132 40 0 IGABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccccc1C(F)(F)F)CC(=O)N2 ZINC000020674050 527554764 /nfs/dbraw/zinc/55/47/64/527554764.db2.gz OQSATFORUQQTMN-NSHDSACASA-N 1 2 434.422 3.132 40 0 IGABLO O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000408617706 555981489 /nfs/dbraw/zinc/98/14/89/555981489.db2.gz DNOAXWYAKBTZRW-UHFFFAOYSA-N 1 2 438.981 3.066 40 0 IGABLO Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCC[N@@H+](CC(=O)Nc3cc(C)on3)C2)on1 ZINC000019124187 556702530 /nfs/dbraw/zinc/70/25/30/556702530.db2.gz DKLANRZZBFKODU-MRXNPFEDSA-N 1 2 435.488 3.116 40 0 IGABLO Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCC[N@H+](CC(=O)Nc3cc(C)on3)C2)on1 ZINC000019124187 556702531 /nfs/dbraw/zinc/70/25/31/556702531.db2.gz DKLANRZZBFKODU-MRXNPFEDSA-N 1 2 435.488 3.116 40 0 IGABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC2(C[C@@H](Oc3ccccc3)CO2)CC1 ZINC000257286846 556715710 /nfs/dbraw/zinc/71/57/10/556715710.db2.gz PNHTYALPRDZACW-HSZRJFAPSA-N 1 2 436.552 3.362 40 0 IGABLO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000257307644 556718159 /nfs/dbraw/zinc/71/81/59/556718159.db2.gz SZQMMPCUAAFQQQ-JOCHJYFZSA-N 1 2 449.530 3.344 40 0 IGABLO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CCC[C@@H]1c1nnc(Cc2ccc(F)cc2)[nH]1 ZINC000257307644 556718163 /nfs/dbraw/zinc/71/81/63/556718163.db2.gz SZQMMPCUAAFQQQ-JOCHJYFZSA-N 1 2 449.530 3.344 40 0 IGABLO COc1ccc(-n2ncc(C(=O)[C@@H]3CCC[N@H+](Cc4cnc(C(C)C)nc4)C3)c2N)cc1 ZINC000019454032 556764662 /nfs/dbraw/zinc/76/46/62/556764662.db2.gz ZWALOPQBWKJKEQ-GOSISDBHSA-N 1 2 434.544 3.471 40 0 IGABLO COc1ccc(-n2ncc(C(=O)[C@@H]3CCC[N@@H+](Cc4cnc(C(C)C)nc4)C3)c2N)cc1 ZINC000019454032 556764665 /nfs/dbraw/zinc/76/46/65/556764665.db2.gz ZWALOPQBWKJKEQ-GOSISDBHSA-N 1 2 434.544 3.471 40 0 IGABLO CN1C[C@@H](C(=O)N2CCC[C@@H](c3[nH+]c(Nc4cccc(F)c4)n4ccsc34)C2)CC1=O ZINC000019587229 556823422 /nfs/dbraw/zinc/82/34/22/556823422.db2.gz XQHRZNLLMLIQTB-CABCVRRESA-N 1 2 441.532 3.463 40 0 IGABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004848034 556823603 /nfs/dbraw/zinc/82/36/03/556823603.db2.gz SZBHYEXRLIQHMP-FQEVSTJZSA-N 1 2 426.565 3.222 40 0 IGABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004848034 556823606 /nfs/dbraw/zinc/82/36/06/556823606.db2.gz SZBHYEXRLIQHMP-FQEVSTJZSA-N 1 2 426.565 3.222 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)cc2c1 ZINC000006282729 556831245 /nfs/dbraw/zinc/83/12/45/556831245.db2.gz RCLSPZZMWHMBOT-JOCHJYFZSA-N 1 2 448.502 3.286 40 0 IGABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCCC3)c(=O)[nH]c2c1 ZINC000006301709 556832375 /nfs/dbraw/zinc/83/23/75/556832375.db2.gz SCZOZKAWFFINTF-GCJKJVERSA-N 1 2 436.560 3.276 40 0 IGABLO CCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3c4ccccc4sc3C(=O)NCCO)C2)c1C ZINC000019697624 556854938 /nfs/dbraw/zinc/85/49/38/556854938.db2.gz NDEDPWRTTUQTSH-LJQANCHMSA-N 1 2 442.585 3.030 40 0 IGABLO CCn1nc(C)c(C[N@H+]2CCO[C@@H](c3c4ccccc4sc3C(=O)NCCO)C2)c1C ZINC000019697624 556854941 /nfs/dbraw/zinc/85/49/41/556854941.db2.gz NDEDPWRTTUQTSH-LJQANCHMSA-N 1 2 442.585 3.030 40 0 IGABLO COc1cccc(C(=O)N2CCC(c3ccc4c(NCc5[nH]cc[nH+]5)n[nH]c4n3)CC2)c1 ZINC000019744904 556891420 /nfs/dbraw/zinc/89/14/20/556891420.db2.gz QUVVOSUMJROVGI-UHFFFAOYSA-N 1 2 431.500 3.322 40 0 IGABLO COc1ccc(CC(=O)N2CCC(Cc3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc1OC ZINC000019758755 556902420 /nfs/dbraw/zinc/90/24/20/556902420.db2.gz JQDQWMXUEXLBRH-UHFFFAOYSA-N 1 2 438.572 3.426 40 0 IGABLO COc1ccc(Cc2cc(C)nc([C@@H]3CCC[N@H+](CC(=O)Nc4nonc4C)C3)c2)cc1 ZINC000072353920 556928249 /nfs/dbraw/zinc/92/82/49/556928249.db2.gz YFJPYWNRRRHMLJ-HXUWFJFHSA-N 1 2 435.528 3.499 40 0 IGABLO COc1ccc(Cc2cc(C)nc([C@@H]3CCC[N@@H+](CC(=O)Nc4nonc4C)C3)c2)cc1 ZINC000072353920 556928252 /nfs/dbraw/zinc/92/82/52/556928252.db2.gz YFJPYWNRRRHMLJ-HXUWFJFHSA-N 1 2 435.528 3.499 40 0 IGABLO COC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000020150622 556991090 /nfs/dbraw/zinc/99/10/90/556991090.db2.gz FFKNXVBTRJYGAF-XUJKJYMVSA-N 1 2 438.549 3.110 40 0 IGABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)Cc3ccccn3)C[C@]23CCCN(CC2CC2)C3=O)c1 ZINC000585107535 557038926 /nfs/dbraw/zinc/03/89/26/557038926.db2.gz ZGCLPRGVIWMWCQ-PXDATVDWSA-N 1 2 435.572 3.046 40 0 IGABLO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000033887417 557375438 /nfs/dbraw/zinc/37/54/38/557375438.db2.gz POZCJRCEFZTKLD-PRHHBONVSA-N 1 2 439.874 3.219 40 0 IGABLO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000033887417 557375442 /nfs/dbraw/zinc/37/54/42/557375442.db2.gz POZCJRCEFZTKLD-PRHHBONVSA-N 1 2 439.874 3.219 40 0 IGABLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1C(C)C ZINC000223136527 557437544 /nfs/dbraw/zinc/43/75/44/557437544.db2.gz WCPOLSFLRFWWTG-FGZHOGPDSA-N 1 2 427.618 3.386 40 0 IGABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1CCOC)c1cc2cc(C)ccc2[nH]c1=O ZINC000019972816 557511415 /nfs/dbraw/zinc/51/14/15/557511415.db2.gz KVQTVFZSHHOLIK-QFIPXVFZSA-N 1 2 432.528 3.081 40 0 IGABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1CCOC)c1cc2cc(C)ccc2[nH]c1=O ZINC000019972816 557511418 /nfs/dbraw/zinc/51/14/18/557511418.db2.gz KVQTVFZSHHOLIK-QFIPXVFZSA-N 1 2 432.528 3.081 40 0 IGABLO Cn1nc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)cc1CCOc1ccc(C(F)(F)F)cc1 ZINC000257208769 568669210 /nfs/dbraw/zinc/66/92/10/568669210.db2.gz BNNPJVOZMQLFSR-LJQANCHMSA-N 1 2 435.450 3.357 40 0 IGABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CN(C(=O)CCc3[nH]nc4c3CCCC4)CCO2)n1 ZINC000257210799 568670042 /nfs/dbraw/zinc/67/00/42/568670042.db2.gz BWFRAVJQVPQECB-QHCPKHFHSA-N 1 2 446.555 3.169 40 0 IGABLO O=C(N1CC[NH+](CCO)CC1)C1(Cc2ccc(-c3ccc(F)c(F)c3)cc2)CCOCC1 ZINC000257287651 568705673 /nfs/dbraw/zinc/70/56/73/568705673.db2.gz PQYUIVMEKMEKBT-UHFFFAOYSA-N 1 2 444.522 3.108 40 0 IGABLO CCc1nc(-c2cncnc2[C@@H]2CCN(C(=O)COc3cc(C)[nH+]c4ccccc43)C2)no1 ZINC000257294325 568708576 /nfs/dbraw/zinc/70/85/76/568708576.db2.gz QTPJTBGXLJYPGX-MRXNPFEDSA-N 1 2 444.495 3.341 40 0 IGABLO Cc1[nH+]ccn1CCC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000257318465 568719522 /nfs/dbraw/zinc/71/95/22/568719522.db2.gz VOBBKEFOZIKUSX-OAQYLSRUSA-N 1 2 443.935 3.180 40 0 IGABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@H](c3cccc(Nc4cnccn4)n3)C1)CO2 ZINC000257325893 568722883 /nfs/dbraw/zinc/72/28/83/568722883.db2.gz WUXKBCYXJORZNZ-QFIPXVFZSA-N 1 2 431.496 3.473 40 0 IGABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@H](c3cccc(Nc4cnccn4)n3)C1)CO2 ZINC000257325893 568722884 /nfs/dbraw/zinc/72/28/84/568722884.db2.gz WUXKBCYXJORZNZ-QFIPXVFZSA-N 1 2 431.496 3.473 40 0 IGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(Br)o1 ZINC000261365158 568733494 /nfs/dbraw/zinc/73/34/94/568733494.db2.gz QLRCUNXIZWDVBT-INIZCTEOSA-O 1 2 434.295 3.128 40 0 IGABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccco3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306123615 568762752 /nfs/dbraw/zinc/76/27/52/568762752.db2.gz ARZXHQOYBZWYIE-DVECYGJZSA-N 1 2 433.512 3.111 40 0 IGABLO C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)Cc3cccs3)CC2)C1 ZINC000306130393 568766173 /nfs/dbraw/zinc/76/61/73/568766173.db2.gz JEVSRUIFIICQFV-UHFFFAOYSA-N 1 2 425.533 3.152 40 0 IGABLO C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)Cc3cccs3)CC2)C1 ZINC000306130393 568766175 /nfs/dbraw/zinc/76/61/75/568766175.db2.gz JEVSRUIFIICQFV-UHFFFAOYSA-N 1 2 425.533 3.152 40 0 IGABLO COc1cccc(-c2cnc3c(N4CC[NH+](Cc5cccnc5OC)CC4)nccn23)c1 ZINC000306132284 568767166 /nfs/dbraw/zinc/76/71/66/568767166.db2.gz LDWQEUFYMXUNAT-UHFFFAOYSA-N 1 2 430.512 3.131 40 0 IGABLO O=C(NCCCn1cc[nH+]c1)c1nc([C@@H]2CCCN2Cc2ccccn2)n2ccccc12 ZINC000306139210 568771096 /nfs/dbraw/zinc/77/10/96/568771096.db2.gz SSDNOSWMBPMHBH-NRFANRHFSA-N 1 2 429.528 3.083 40 0 IGABLO OCCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328980041 568808422 /nfs/dbraw/zinc/80/84/22/568808422.db2.gz GKYZQUOHYNAOQF-UHFFFAOYSA-N 1 2 440.372 3.181 40 0 IGABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)[C@@H]5CC=CCC5)C4)nc3C2)cc1 ZINC000247908517 569206385 /nfs/dbraw/zinc/20/63/85/569206385.db2.gz TXCSJADYHKULRI-WOJBJXKFSA-N 1 2 448.567 3.421 40 0 IGABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)[C@@H]5CC=CCC5)C4)nc3C2)cc1 ZINC000247908517 569206386 /nfs/dbraw/zinc/20/63/86/569206386.db2.gz TXCSJADYHKULRI-WOJBJXKFSA-N 1 2 448.567 3.421 40 0 IGABLO O[C@@H](COc1c(F)cc(Br)cc1F)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000001462682 569211094 /nfs/dbraw/zinc/21/10/94/569211094.db2.gz HLTGQAIZUALIRQ-QGZVFWFLSA-N 1 2 441.316 3.285 40 0 IGABLO Cc1nc([C@H]2CC[N@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CCc1ccccc1F ZINC000019738872 569236143 /nfs/dbraw/zinc/23/61/43/569236143.db2.gz ZYTHGXJWXVVWAG-SFHVURJKSA-N 1 2 434.519 3.159 40 0 IGABLO Cc1nc([C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CCc1ccccc1F ZINC000019738872 569236144 /nfs/dbraw/zinc/23/61/44/569236144.db2.gz ZYTHGXJWXVVWAG-SFHVURJKSA-N 1 2 434.519 3.159 40 0 IGABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1OCC ZINC000095534516 569374628 /nfs/dbraw/zinc/37/46/28/569374628.db2.gz SFHKYYPWWFOVRX-IBGZPJMESA-N 1 2 428.489 3.343 40 0 IGABLO CC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000013505128 132348731 /nfs/dbraw/zinc/34/87/31/132348731.db2.gz KAHGSIWAEDWYLA-FQEVSTJZSA-N 1 2 434.544 3.340 40 0 IGABLO COc1cc2c(cc1C[N@@H+]1CCc3nc(N)c(C(=O)NCc4ccccn4)cc3C1)CCC2 ZINC000072345691 522998058 /nfs/dbraw/zinc/99/80/58/522998058.db2.gz APSXVORZSADXTE-UHFFFAOYSA-N 1 2 443.551 3.044 40 0 IGABLO COc1cc2c(cc1C[N@H+]1CCc3nc(N)c(C(=O)NCc4ccccn4)cc3C1)CCC2 ZINC000072345691 522998069 /nfs/dbraw/zinc/99/80/69/522998069.db2.gz APSXVORZSADXTE-UHFFFAOYSA-N 1 2 443.551 3.044 40 0 IGABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3ccccc3C(F)(F)F)C1=O)CC2 ZINC000022609332 523033156 /nfs/dbraw/zinc/03/31/56/523033156.db2.gz HRIUSZHAZYOELQ-QGZVFWFLSA-N 1 2 434.414 3.413 40 0 IGABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3ccccc3C(F)(F)F)C1=O)CC2 ZINC000022609332 523033168 /nfs/dbraw/zinc/03/31/68/523033168.db2.gz HRIUSZHAZYOELQ-QGZVFWFLSA-N 1 2 434.414 3.413 40 0 IGABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)OCO3)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529804 524012589 /nfs/dbraw/zinc/01/25/89/524012589.db2.gz WSZNTORWKDTTIJ-HOTGVXAUSA-N 1 2 426.860 3.294 40 0 biogenic,in-vitro IGABLO C[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)OCO3)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529804 524012592 /nfs/dbraw/zinc/01/25/92/524012592.db2.gz WSZNTORWKDTTIJ-HOTGVXAUSA-N 1 2 426.860 3.294 40 0 biogenic,in-vitro IGABLO COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)sc2c1CC[N@H+](C)C2 ZINC000408564575 555918141 /nfs/dbraw/zinc/91/81/41/555918141.db2.gz XBMDPCLCQMUBSS-VQHVLOKHSA-N 1 2 446.525 3.200 40 0 IGABLO COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)sc2c1CC[N@@H+](C)C2 ZINC000408564575 555918142 /nfs/dbraw/zinc/91/81/42/555918142.db2.gz XBMDPCLCQMUBSS-VQHVLOKHSA-N 1 2 446.525 3.200 40 0 IGABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408594367 555960541 /nfs/dbraw/zinc/96/05/41/555960541.db2.gz OSYHYSNRFOQHCJ-UHFFFAOYSA-N 1 2 448.932 3.166 40 0 IGABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2ccccc2Cl)cc1 ZINC000408616536 555987559 /nfs/dbraw/zinc/98/75/59/555987559.db2.gz AGFSWLLPXNZTQV-UHFFFAOYSA-N 1 2 446.960 3.247 40 0 IGABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000014426205 556416021 /nfs/dbraw/zinc/41/60/21/556416021.db2.gz JVJVEPBAHVJEDY-UHFFFAOYSA-N 1 2 428.341 3.182 40 0 IGABLO CN1c2ccc(Br)cc2/C(=C2/SC(=O)N(C[NH+]3CCCCC3)C2=O)C1=O ZINC000017142231 556669646 /nfs/dbraw/zinc/66/96/46/556669646.db2.gz KLZKJTIWEHMPNU-PFONDFGASA-N 1 2 436.331 3.275 40 0 IGABLO Cc1ccc(-c2cccc(C[C@@]3(C(=O)N(C)C)C[N@H+](Cc4cnn(C)c4)CCO3)c2)cc1 ZINC000019212775 556710558 /nfs/dbraw/zinc/71/05/58/556710558.db2.gz OJTRSHANUNWUQS-SANMLTNESA-N 1 2 432.568 3.297 40 0 IGABLO Cc1ccc(-c2cccc(C[C@@]3(C(=O)N(C)C)C[N@@H+](Cc4cnn(C)c4)CCO3)c2)cc1 ZINC000019212775 556710560 /nfs/dbraw/zinc/71/05/60/556710560.db2.gz OJTRSHANUNWUQS-SANMLTNESA-N 1 2 432.568 3.297 40 0 IGABLO Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)C[N@H+](Cc4cnn(C)c4)CCO3)c2)cc1 ZINC000019212773 556710578 /nfs/dbraw/zinc/71/05/78/556710578.db2.gz OJTRSHANUNWUQS-AREMUKBSSA-N 1 2 432.568 3.297 40 0 IGABLO Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)C[N@@H+](Cc4cnn(C)c4)CCO3)c2)cc1 ZINC000019212773 556710580 /nfs/dbraw/zinc/71/05/80/556710580.db2.gz OJTRSHANUNWUQS-AREMUKBSSA-N 1 2 432.568 3.297 40 0 IGABLO CC(C)[N@@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)c5cccc(F)c5)C4)[nH]n3c(=O)c2C1 ZINC000019448087 556757015 /nfs/dbraw/zinc/75/70/15/556757015.db2.gz FYZOVAYELSCZOB-KRWDZBQOSA-N 1 2 437.519 3.360 40 0 IGABLO CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)c5cccc(F)c5)C4)[nH]n3c(=O)c2C1 ZINC000019448087 556757019 /nfs/dbraw/zinc/75/70/19/556757019.db2.gz FYZOVAYELSCZOB-KRWDZBQOSA-N 1 2 437.519 3.360 40 0 IGABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C3)C[C@@H](C)O1 ZINC000019497593 556770421 /nfs/dbraw/zinc/77/04/21/556770421.db2.gz XTKNZSXINCWYTL-ZIAGYGMSSA-N 1 2 438.450 3.253 40 0 IGABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C3)C[C@@H](C)O1 ZINC000019497593 556770422 /nfs/dbraw/zinc/77/04/22/556770422.db2.gz XTKNZSXINCWYTL-ZIAGYGMSSA-N 1 2 438.450 3.253 40 0 IGABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004848015 556823646 /nfs/dbraw/zinc/82/36/46/556823646.db2.gz GISSIKAYYLUVNX-FQEVSTJZSA-N 1 2 426.565 3.160 40 0 IGABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004848015 556823647 /nfs/dbraw/zinc/82/36/47/556823647.db2.gz GISSIKAYYLUVNX-FQEVSTJZSA-N 1 2 426.565 3.160 40 0 IGABLO Cc1cccc2cc(C[N@@H+](CCCO)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000004848163 556823957 /nfs/dbraw/zinc/82/39/57/556823957.db2.gz JYAHURAOKIOGAK-FQEVSTJZSA-N 1 2 426.565 3.160 40 0 IGABLO Cc1cccc2cc(C[N@H+](CCCO)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000004848163 556823962 /nfs/dbraw/zinc/82/39/62/556823962.db2.gz JYAHURAOKIOGAK-FQEVSTJZSA-N 1 2 426.565 3.160 40 0 IGABLO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000019592441 556828559 /nfs/dbraw/zinc/82/85/59/556828559.db2.gz KSHIPPBAPXPXOS-UKDJSQQHSA-N 1 2 446.528 3.353 40 0 IGABLO CNc1nc([C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2c1C[N@H+](C)CC2 ZINC000019710592 556874018 /nfs/dbraw/zinc/87/40/18/556874018.db2.gz RQZGZRADRXUTCC-GOSISDBHSA-N 1 2 432.572 3.326 40 0 IGABLO CNc1nc([C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710592 556874019 /nfs/dbraw/zinc/87/40/19/556874019.db2.gz RQZGZRADRXUTCC-GOSISDBHSA-N 1 2 432.572 3.326 40 0 IGABLO COc1cccc(CC(=O)N2CCC(c3ccc4c(NCc5[nH]cc[nH+]5)n[nH]c4n3)CC2)c1 ZINC000019745116 556892045 /nfs/dbraw/zinc/89/20/45/556892045.db2.gz LTYVIMGBKYQWOR-UHFFFAOYSA-N 1 2 445.527 3.250 40 0 IGABLO CCn1c(C)[nH+]c2cc(NC(=O)Cn3cc(C(=O)NC4CCCCC4)ccc3=O)ccc21 ZINC000019751384 556895503 /nfs/dbraw/zinc/89/55/03/556895503.db2.gz FRINRCOBXFVJSU-UHFFFAOYSA-N 1 2 435.528 3.228 40 0 IGABLO COc1ccc([C@@H]2NC3=[NH+]CN(Cc4ccco4)CN3c3nc4ccccc4n32)c(OC)c1 ZINC000019960386 556955269 /nfs/dbraw/zinc/95/52/69/556955269.db2.gz BDJFEMGPDBBJNT-JOCHJYFZSA-N 1 2 444.495 3.390 40 0 IGABLO CNc1cc(Nc2nccc([C@@H]3CCC[N@H+](CC(=O)Nc4ccc(F)cc4)C3)n2)ncn1 ZINC000072377596 556956195 /nfs/dbraw/zinc/95/61/95/556956195.db2.gz WEWKVXKVKBEULM-OAHLLOKOSA-N 1 2 436.495 3.009 40 0 IGABLO CNc1cc(Nc2nccc([C@@H]3CCC[N@@H+](CC(=O)Nc4ccc(F)cc4)C3)n2)ncn1 ZINC000072377596 556956196 /nfs/dbraw/zinc/95/61/96/556956196.db2.gz WEWKVXKVKBEULM-OAHLLOKOSA-N 1 2 436.495 3.009 40 0 IGABLO CCOc1ccc(CCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OCC ZINC000020112698 556986917 /nfs/dbraw/zinc/98/69/17/556986917.db2.gz TUSWQVKYTOHICI-UHFFFAOYSA-N 1 2 440.540 3.490 40 0 IGABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)Cc3ccccn3)C[C@]23CCCN(CC2CC2)C3=O)c1 ZINC000585107536 557038968 /nfs/dbraw/zinc/03/89/68/557038968.db2.gz ZGCLPRGVIWMWCQ-SQJMNOBHSA-N 1 2 435.572 3.046 40 0 IGABLO Cc1nc(CN2CC[C@]3(CN(C(=O)C4(F)CC4)C[C@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000585106431 557039888 /nfs/dbraw/zinc/03/98/88/557039888.db2.gz GMSGKLFHHDTAIZ-LAUBAEHRSA-N 1 2 445.564 3.076 40 0 IGABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCC3)cc2c1 ZINC000006197872 557149687 /nfs/dbraw/zinc/14/96/87/557149687.db2.gz UHCDADFUNHJPIA-OAQYLSRUSA-N 1 2 436.560 3.201 40 0 IGABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCC3)cc2c1 ZINC000006197872 557149690 /nfs/dbraw/zinc/14/96/90/557149690.db2.gz UHCDADFUNHJPIA-OAQYLSRUSA-N 1 2 436.560 3.201 40 0 IGABLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CCCc4ccccc43)c2)CC1 ZINC000220010696 557277285 /nfs/dbraw/zinc/27/72/85/557277285.db2.gz XMRUJXXNUDIXHE-NRFANRHFSA-N 1 2 447.988 3.084 40 0 IGABLO Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223150376 557439259 /nfs/dbraw/zinc/43/92/59/557439259.db2.gz KDCXVHNUOQKUKE-DNQXCXABSA-N 1 2 447.608 3.485 40 0 IGABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1CC[NH+]1CCOCC1 ZINC000223163357 557440533 /nfs/dbraw/zinc/44/05/33/557440533.db2.gz YFUXRVPWEKHOFK-PKTZIBPZSA-N 1 2 433.581 3.177 40 0 IGABLO CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223178696 557442185 /nfs/dbraw/zinc/44/21/85/557442185.db2.gz ZGHKRVJYMSVANA-RTWAWAEBSA-N 1 2 427.618 3.333 40 0 IGABLO Cc1cc(C)cc(N(CCCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)c1 ZINC000225040233 557681811 /nfs/dbraw/zinc/68/18/11/557681811.db2.gz FSXVSUPYASCYFJ-UHFFFAOYSA-N 1 2 440.569 3.352 40 0 IGABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1C(=O)c1ccccc1OC ZINC000015676474 560095621 /nfs/dbraw/zinc/09/56/21/560095621.db2.gz DJABJNALCGZTMT-IBGZPJMESA-N 1 2 439.899 3.334 40 0 biogenic,in-vitro IGABLO COc1cc(C)ccc1OCC(=O)N1CCO[C@@H](c2cccc(-c3ccc(N)[nH+]c3)n2)C1 ZINC000257215434 568672344 /nfs/dbraw/zinc/67/23/44/568672344.db2.gz CQCLAJMCHSMJAI-JOCHJYFZSA-N 1 2 434.496 3.022 40 0 IGABLO CC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](CC(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)CC[C@H]21 ZINC000257226023 568676981 /nfs/dbraw/zinc/67/69/81/568676981.db2.gz FIUMOWBMKDZOBO-PQNGQFLHSA-N 1 2 449.530 3.285 40 0 IGABLO CC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](CC(=O)Nc3ccc4nc(C)[nH]c4c3)CC[C@H]21 ZINC000257226023 568676985 /nfs/dbraw/zinc/67/69/85/568676985.db2.gz FIUMOWBMKDZOBO-PQNGQFLHSA-N 1 2 449.530 3.285 40 0 IGABLO CC(=O)N1CCC(Cc2ccccc2F)(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000257232362 568679908 /nfs/dbraw/zinc/67/99/08/568679908.db2.gz GKOIUONGJFGQFG-NRFANRHFSA-N 1 2 438.547 3.177 40 0 IGABLO O=C(CCCn1c2ccccc2nc1C(F)(F)F)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257299149 568710776 /nfs/dbraw/zinc/71/07/76/568710776.db2.gz ROXSMIMRSIZGGW-SZVBFZGTSA-N 1 2 435.450 3.303 40 0 IGABLO Cc1[nH+]ccn1CCC(=O)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000257318464 568719506 /nfs/dbraw/zinc/71/95/06/568719506.db2.gz VOBBKEFOZIKUSX-NRFANRHFSA-N 1 2 443.935 3.180 40 0 IGABLO CN(C)c1cc([C@H]2CCCN(C(=O)c3cccc(N4CCCCS4(=O)=O)c3)C2)cc[nH+]1 ZINC000257323829 568721696 /nfs/dbraw/zinc/72/16/96/568721696.db2.gz WLZQVOAKIZNIHW-FQEVSTJZSA-N 1 2 442.585 3.097 40 0 IGABLO CC(C)c1[nH+]c2ccccc2n1CCCC(=O)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1 ZINC000257334104 568726104 /nfs/dbraw/zinc/72/61/04/568726104.db2.gz YEOLHCXEPQSTRF-PGRDOPGGSA-N 1 2 446.555 3.045 40 0 IGABLO Cc1nc(CN2CC[C@]3(CN(C(=O)CC4CC4)C[C@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306124424 568763244 /nfs/dbraw/zinc/76/32/44/568763244.db2.gz BPMHBERLCICYIO-WMZHIEFXSA-N 1 2 441.601 3.374 40 0 IGABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccoc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306127240 568764717 /nfs/dbraw/zinc/76/47/17/568764717.db2.gz FSWQHKQMRPNBIA-HYBUGGRVSA-N 1 2 433.512 3.111 40 0 IGABLO CC(C)n1cc(C[N@@H+]2C[C@@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306137438 568769816 /nfs/dbraw/zinc/76/98/16/568769816.db2.gz QWGKFMMAQOXXMG-TZIWHRDSSA-N 1 2 426.517 3.420 40 0 IGABLO CC(C)n1cc(C[N@H+]2C[C@@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306137438 568769817 /nfs/dbraw/zinc/76/98/17/568769817.db2.gz QWGKFMMAQOXXMG-TZIWHRDSSA-N 1 2 426.517 3.420 40 0 IGABLO COc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(N[C@H](C)CO)n2)c1 ZINC000329052581 568810566 /nfs/dbraw/zinc/81/05/66/568810566.db2.gz VCLUKFVPCCPOMB-CQSZACIVSA-N 1 2 448.445 3.299 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000000893020 568858808 /nfs/dbraw/zinc/85/88/08/568858808.db2.gz CCVRAWPWGXLBRB-GAJHUEQPSA-N 1 2 444.539 3.393 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000000893020 568858810 /nfs/dbraw/zinc/85/88/10/568858810.db2.gz CCVRAWPWGXLBRB-GAJHUEQPSA-N 1 2 444.539 3.393 40 0 IGABLO CCCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000245230304 569205363 /nfs/dbraw/zinc/20/53/63/569205363.db2.gz OXZUZPBRMZLICA-QDMVCWPOSA-N 1 2 436.508 3.253 40 0 IGABLO CCCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000245230303 569205382 /nfs/dbraw/zinc/20/53/82/569205382.db2.gz OXZUZPBRMZLICA-HULNYRCFSA-N 1 2 436.508 3.253 40 0 IGABLO O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349408 569226687 /nfs/dbraw/zinc/22/66/87/569226687.db2.gz XPXDUMFHFALQQF-VGSWGCGISA-N 1 2 436.531 3.487 40 0 IGABLO O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019349408 569226688 /nfs/dbraw/zinc/22/66/88/569226688.db2.gz XPXDUMFHFALQQF-VGSWGCGISA-N 1 2 436.531 3.487 40 0 IGABLO COc1cccc(-c2nccnc2[C@@H]2C[N@H+](Cc3cnn4c3nc(C)cc4C)CCO2)c1 ZINC000019693264 569228692 /nfs/dbraw/zinc/22/86/92/569228692.db2.gz ZJPIFWAPSDJERU-NRFANRHFSA-N 1 2 430.512 3.385 40 0 IGABLO COc1cccc(-c2nccnc2[C@@H]2C[N@@H+](Cc3cnn4c3nc(C)cc4C)CCO2)c1 ZINC000019693264 569228693 /nfs/dbraw/zinc/22/86/93/569228693.db2.gz ZJPIFWAPSDJERU-NRFANRHFSA-N 1 2 430.512 3.385 40 0 IGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(OC(C)=O)c1 ZINC000261364847 569315752 /nfs/dbraw/zinc/31/57/52/569315752.db2.gz OCXBOAHIBYGTIX-NRFANRHFSA-O 1 2 437.501 3.087 40 0 IGABLO CC1(C)CC(=O)c2c(nc(N3CC[NH+](CCO)CC3)nc2Nc2ccc(Cl)cc2)C1 ZINC000020503111 520275451 /nfs/dbraw/zinc/27/54/51/520275451.db2.gz DSOWUZDMEVRWPW-UHFFFAOYSA-N 1 2 429.952 3.143 40 0 IGABLO C[N@@H+]1C[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000020464030 524011491 /nfs/dbraw/zinc/01/14/91/524011491.db2.gz JFROGSMHTQYIQA-ZFWWWQNUSA-N 1 2 433.394 3.112 40 0 biogenic,in-vitro IGABLO C[N@H+]1C[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1c1nc(-c2cnccn2)no1 ZINC000020464030 524011493 /nfs/dbraw/zinc/01/14/93/524011493.db2.gz JFROGSMHTQYIQA-ZFWWWQNUSA-N 1 2 433.394 3.112 40 0 biogenic,in-vitro IGABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000020635663 527554936 /nfs/dbraw/zinc/55/49/36/527554936.db2.gz ZGWIJHHCTYKTDM-CYBMUJFWSA-N 1 2 434.422 3.132 40 0 IGABLO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](CC(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000019021030 556693578 /nfs/dbraw/zinc/69/35/78/556693578.db2.gz IARCZMSJRMJTEW-UHFFFAOYSA-N 1 2 437.515 3.263 40 0 IGABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257331137 556705862 /nfs/dbraw/zinc/70/58/62/556705862.db2.gz XROCKROQEFNDTA-QFIPXVFZSA-N 1 2 445.563 3.398 40 0 IGABLO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000054360547 556730455 /nfs/dbraw/zinc/73/04/55/556730455.db2.gz NPBRRUSTMXSJGV-UHFFFAOYSA-N 1 2 442.566 3.331 40 0 IGABLO O=C(CC[N@H+]1CCc2ccccc2C1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000054360547 556730457 /nfs/dbraw/zinc/73/04/57/556730457.db2.gz NPBRRUSTMXSJGV-UHFFFAOYSA-N 1 2 442.566 3.331 40 0 IGABLO C[C@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCCC2)CC4)CC1 ZINC000019462892 556767825 /nfs/dbraw/zinc/76/78/25/556767825.db2.gz CKBKQPDEGHBWTI-LPHOPBHVSA-N 1 2 437.588 3.488 40 0 IGABLO C[C@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCCC2)CC4)CC1 ZINC000019462892 556767827 /nfs/dbraw/zinc/76/78/27/556767827.db2.gz CKBKQPDEGHBWTI-LPHOPBHVSA-N 1 2 437.588 3.488 40 0 IGABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004848028 556823572 /nfs/dbraw/zinc/82/35/72/556823572.db2.gz FFIOWFMODYRIBO-FQEVSTJZSA-N 1 2 426.565 3.304 40 0 IGABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004848028 556823575 /nfs/dbraw/zinc/82/35/75/556823575.db2.gz FFIOWFMODYRIBO-FQEVSTJZSA-N 1 2 426.565 3.304 40 0 IGABLO CN1C[C@H](C(=O)N2CCC[C@H](c3[nH+]c(Nc4cccc(F)c4)n4ccsc34)C2)CC1=O ZINC000019587235 556823622 /nfs/dbraw/zinc/82/36/22/556823622.db2.gz XQHRZNLLMLIQTB-LSDHHAIUSA-N 1 2 441.532 3.463 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)cc2c1 ZINC000006282737 556831377 /nfs/dbraw/zinc/83/13/77/556831377.db2.gz CYMWMWXSCNTBNQ-JOCHJYFZSA-N 1 2 430.512 3.147 40 0 IGABLO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006301902 556832658 /nfs/dbraw/zinc/83/26/58/556832658.db2.gz XBQMDOKQIJSMPD-QXATTWAWSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006301902 556832660 /nfs/dbraw/zinc/83/26/60/556832660.db2.gz XBQMDOKQIJSMPD-QXATTWAWSA-N 1 2 436.560 3.132 40 0 IGABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)[NH+]1CCCCCC1)OCO3 ZINC000006445159 556833268 /nfs/dbraw/zinc/83/32/68/556833268.db2.gz LPOBJRZHABOZIN-NRFANRHFSA-N 1 2 436.516 3.324 40 0 IGABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)[NH+]1CCCCCC1)OCO3 ZINC000006445211 556833450 /nfs/dbraw/zinc/83/34/50/556833450.db2.gz LPOBJRZHABOZIN-OAQYLSRUSA-N 1 2 436.516 3.324 40 0 IGABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)ccc3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006409324 556834900 /nfs/dbraw/zinc/83/49/00/556834900.db2.gz MWORSYGKLHTGSS-JOCHJYFZSA-N 1 2 430.512 3.065 40 0 IGABLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCO[C@@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697636 556855371 /nfs/dbraw/zinc/85/53/71/556855371.db2.gz ZBDKJIJDOHKAIH-QGZVFWFLSA-N 1 2 442.585 3.218 40 0 IGABLO CC(C)(C)c1n[nH]cc1C[N@H+]1CCO[C@@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697636 556855372 /nfs/dbraw/zinc/85/53/72/556855372.db2.gz ZBDKJIJDOHKAIH-QGZVFWFLSA-N 1 2 442.585 3.218 40 0 IGABLO C[NH+]1CCN(C(=O)c2ccc([C@@H]3CCCN3C(=O)C(C)(C)c3ccc(F)cc3)nc2)CC1 ZINC000019708766 556870026 /nfs/dbraw/zinc/87/00/26/556870026.db2.gz SCFFHZUBUQCBKZ-QFIPXVFZSA-N 1 2 438.547 3.250 40 0 IGABLO CNc1nc([C@@H]2CCCCN2C(=O)CCN(C)c2ccccc2F)nc2c1C[N@H+](C)CC2 ZINC000019710373 556872686 /nfs/dbraw/zinc/87/26/86/556872686.db2.gz JFOVBYBIRRVFSX-NRFANRHFSA-N 1 2 440.567 3.225 40 0 IGABLO CNc1nc([C@@H]2CCCCN2C(=O)CCN(C)c2ccccc2F)nc2c1C[N@@H+](C)CC2 ZINC000019710373 556872690 /nfs/dbraw/zinc/87/26/90/556872690.db2.gz JFOVBYBIRRVFSX-NRFANRHFSA-N 1 2 440.567 3.225 40 0 IGABLO CNc1nc([C@H]2CCCN(C(=O)CCc3cccc(Cl)c3)C2)nc2c1C[N@H+](C)CC2 ZINC000019710476 556873436 /nfs/dbraw/zinc/87/34/36/556873436.db2.gz LIPLAWIMMWQWKV-KRWDZBQOSA-N 1 2 427.980 3.498 40 0 IGABLO CNc1nc([C@H]2CCCN(C(=O)CCc3cccc(Cl)c3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710476 556873438 /nfs/dbraw/zinc/87/34/38/556873438.db2.gz LIPLAWIMMWQWKV-KRWDZBQOSA-N 1 2 427.980 3.498 40 0 IGABLO CC(=O)N1CCC(c2nc3c(c(NCCOc4ccc(C)cc4C)n2)C[N@H+](C)CC3)CC1 ZINC000019710513 556873658 /nfs/dbraw/zinc/87/36/58/556873658.db2.gz RGAWBQGLWRQQCF-UHFFFAOYSA-N 1 2 437.588 3.298 40 0 IGABLO CC(=O)N1CCC(c2nc3c(c(NCCOc4ccc(C)cc4C)n2)C[N@@H+](C)CC3)CC1 ZINC000019710513 556873662 /nfs/dbraw/zinc/87/36/62/556873662.db2.gz RGAWBQGLWRQQCF-UHFFFAOYSA-N 1 2 437.588 3.298 40 0 IGABLO Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cccn3-c3ccc([NH+](C)C)cc3)C2=O)cc1 ZINC000408960897 556899467 /nfs/dbraw/zinc/89/94/67/556899467.db2.gz PMXJHJMYWKDKDW-JCMHNJIXSA-N 1 2 443.507 3.383 40 0 IGABLO COc1ccc2nc(NC(=O)C[N@@H+]3CC[C@@H](c4cccc(OC)c4)[C@H](O)C3)sc2c1 ZINC000072341615 556914021 /nfs/dbraw/zinc/91/40/21/556914021.db2.gz ORUUAKFBKGFGHY-PKOBYXMFSA-N 1 2 427.526 3.102 40 0 IGABLO COc1ccc2nc(NC(=O)C[N@H+]3CC[C@@H](c4cccc(OC)c4)[C@H](O)C3)sc2c1 ZINC000072341615 556914025 /nfs/dbraw/zinc/91/40/25/556914025.db2.gz ORUUAKFBKGFGHY-PKOBYXMFSA-N 1 2 427.526 3.102 40 0 IGABLO O=C(c1cc([C@@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000072352708 556925116 /nfs/dbraw/zinc/92/51/16/556925116.db2.gz OAYBGYACGVYPIC-DEOSSOPVSA-N 1 2 435.499 3.420 40 0 IGABLO O=C(c1cc([C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000072352708 556925118 /nfs/dbraw/zinc/92/51/18/556925118.db2.gz OAYBGYACGVYPIC-DEOSSOPVSA-N 1 2 435.499 3.420 40 0 IGABLO COc1ccc(S[C@@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000019934634 556950489 /nfs/dbraw/zinc/95/04/89/556950489.db2.gz ANCYUYTXENAMHD-INIZCTEOSA-N 1 2 444.553 3.258 40 0 IGABLO CC(C)(C)c1nn(-c2ccccc2)c2nc3c(cc21)CN(CC[NH+]1CCOCC1)C(=O)O3 ZINC000072396595 556969465 /nfs/dbraw/zinc/96/94/65/556969465.db2.gz PYFYHDXEBIIMPS-UHFFFAOYSA-N 1 2 435.528 3.365 40 0 IGABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)Nc1cccc(Cl)c1Cl)CC(=O)N2 ZINC000020799976 557018447 /nfs/dbraw/zinc/01/84/47/557018447.db2.gz YUCDTCYGJHNGFW-SNVBAGLBSA-N 1 2 435.315 3.420 40 0 IGABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)C4(F)CC4)C[C@@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000585106432 557039972 /nfs/dbraw/zinc/03/99/72/557039972.db2.gz GMSGKLFHHDTAIZ-UTKZUKDTSA-N 1 2 445.564 3.076 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)cc12 ZINC000006405737 557130174 /nfs/dbraw/zinc/13/01/74/557130174.db2.gz ZTJJKIRYHVYXKJ-QXATTWAWSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)cc12 ZINC000006405737 557130178 /nfs/dbraw/zinc/13/01/78/557130178.db2.gz ZTJJKIRYHVYXKJ-QXATTWAWSA-N 1 2 436.560 3.132 40 0 IGABLO O=C(NCC1CC1)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)c1ccc(F)cc1)CCC2 ZINC000096251416 557188633 /nfs/dbraw/zinc/18/86/33/557188633.db2.gz QDBQHNFKYTZRFV-CPJSRVTESA-N 1 2 436.531 3.106 40 0 IGABLO CCC(=O)N1CCc2nc3cc([C@@H]4CCC[N@H+](Cc5ccccc5F)C4)[nH]n3c(=O)c2C1 ZINC000100233707 557250978 /nfs/dbraw/zinc/25/09/78/557250978.db2.gz QBISCNHHXUZRNQ-QGZVFWFLSA-N 1 2 437.519 3.248 40 0 IGABLO CCC(=O)N1CCc2nc3cc([C@@H]4CCC[N@@H+](Cc5ccccc5F)C4)[nH]n3c(=O)c2C1 ZINC000100233707 557250981 /nfs/dbraw/zinc/25/09/81/557250981.db2.gz QBISCNHHXUZRNQ-QGZVFWFLSA-N 1 2 437.519 3.248 40 0 IGABLO O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCC[N@H+](C[C@H]5CC=CCC5)C4)[nH]n3c(=O)c2C1 ZINC000100233701 557251022 /nfs/dbraw/zinc/25/10/22/557251022.db2.gz LXFHKHJZCOTKIG-PKOBYXMFSA-N 1 2 435.572 3.265 40 0 IGABLO O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCC[N@@H+](C[C@H]5CC=CCC5)C4)[nH]n3c(=O)c2C1 ZINC000100233701 557251023 /nfs/dbraw/zinc/25/10/23/557251023.db2.gz LXFHKHJZCOTKIG-PKOBYXMFSA-N 1 2 435.572 3.265 40 0 IGABLO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000102682286 557305491 /nfs/dbraw/zinc/30/54/91/557305491.db2.gz BBCPSNGPRDRKSJ-IJLUTSLNSA-N 1 2 438.322 3.153 40 0 IGABLO CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223178758 557442198 /nfs/dbraw/zinc/44/21/98/557442198.db2.gz ZGHKRVJYMSVANA-LEWJYISDSA-N 1 2 427.618 3.333 40 0 IGABLO COCCn1nnnc1C[N@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000019234245 557498346 /nfs/dbraw/zinc/49/83/46/557498346.db2.gz LTJMDRLKLNZIMA-UHFFFAOYSA-N 1 2 446.555 3.023 40 0 IGABLO COCCn1nnnc1C[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000019234245 557498350 /nfs/dbraw/zinc/49/83/50/557498350.db2.gz LTJMDRLKLNZIMA-UHFFFAOYSA-N 1 2 446.555 3.023 40 0 IGABLO CCC(C)(C)n1nnnc1[C@H](CC(C)C)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020139903 557515725 /nfs/dbraw/zinc/51/57/25/557515725.db2.gz PWMRFOJBRDOWLU-IBGZPJMESA-N 1 2 428.581 3.452 40 0 IGABLO CN(c1ccc(C(=O)NCCCn2cc[nH+]c2)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000224235626 557579057 /nfs/dbraw/zinc/57/90/57/557579057.db2.gz ORQKLYIFQSJGPB-UHFFFAOYSA-N 1 2 432.933 3.182 40 0 IGABLO CC(C)n1c2ccc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2sc1=O ZINC000225712368 557767423 /nfs/dbraw/zinc/76/74/23/557767423.db2.gz DASWNMWLRMDKPB-UHFFFAOYSA-N 1 2 428.539 3.308 40 0 IGABLO CNc1nc([C@H]2CCN(C(=O)c3csc(Cc4ccccc4)n3)C2)nc2c1C[N@H+](C)CC2 ZINC000257213615 568671333 /nfs/dbraw/zinc/67/13/33/568671333.db2.gz CIIYSIJODFOYAX-KRWDZBQOSA-N 1 2 448.596 3.183 40 0 IGABLO CNc1nc([C@H]2CCN(C(=O)c3csc(Cc4ccccc4)n3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257213615 568671338 /nfs/dbraw/zinc/67/13/38/568671338.db2.gz CIIYSIJODFOYAX-KRWDZBQOSA-N 1 2 448.596 3.183 40 0 IGABLO COc1c(C[N@@H+]2CCN(C)C(=O)[C@H]2Cc2cccc(-c3ccc(OC)cc3)c2)c(C)nn1C ZINC000257250801 568689159 /nfs/dbraw/zinc/68/91/59/568689159.db2.gz JOBONACYWIYOMU-XMMPIXPASA-N 1 2 448.567 3.298 40 0 IGABLO COc1c(C[N@H+]2CCN(C)C(=O)[C@H]2Cc2cccc(-c3ccc(OC)cc3)c2)c(C)nn1C ZINC000257250801 568689163 /nfs/dbraw/zinc/68/91/63/568689163.db2.gz JOBONACYWIYOMU-XMMPIXPASA-N 1 2 448.567 3.298 40 0 IGABLO Cn1nc([C@H]2CN(c3cc(N)nc[nH+]3)CCO2)cc1CCOc1cccc(C(F)(F)F)c1 ZINC000257343157 568729900 /nfs/dbraw/zinc/72/99/00/568729900.db2.gz ZRSLJWNYSIYYLH-GOSISDBHSA-N 1 2 448.449 3.011 40 0 IGABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@H+](Cc3cnn(C(C)C)c3)C[C@H]1S2(=O)=O ZINC000306123541 568762783 /nfs/dbraw/zinc/76/27/83/568762783.db2.gz APRQZJZQZZIACW-RBBKRZOGSA-N 1 2 438.553 3.290 40 0 IGABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3cnn(C(C)C)c3)C[C@H]1S2(=O)=O ZINC000306123541 568762785 /nfs/dbraw/zinc/76/27/85/568762785.db2.gz APRQZJZQZZIACW-RBBKRZOGSA-N 1 2 438.553 3.290 40 0 IGABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccco3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306125343 568763721 /nfs/dbraw/zinc/76/37/21/568763721.db2.gz CMYIVCUHXGOXDL-DVECYGJZSA-N 1 2 433.512 3.111 40 0 IGABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4cc(C)oc4C)CC2)C[N@@H+](C)C3)cc1 ZINC000306128493 568765172 /nfs/dbraw/zinc/76/51/72/568765172.db2.gz HBTRNJNCCHOILB-UHFFFAOYSA-N 1 2 435.528 3.240 40 0 IGABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4cc(C)oc4C)CC2)C[N@H+](C)C3)cc1 ZINC000306128493 568765173 /nfs/dbraw/zinc/76/51/73/568765173.db2.gz HBTRNJNCCHOILB-UHFFFAOYSA-N 1 2 435.528 3.240 40 0 IGABLO Cc1ccc(C(=O)N2C[C@@H](c3cn(C(C)C)c[nH+]3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)o1 ZINC000306135142 568769045 /nfs/dbraw/zinc/76/90/45/568769045.db2.gz OJCOUFRTXACSIX-CPJSRVTESA-N 1 2 447.539 3.419 40 0 IGABLO Cc1cc2c(ccc(Oc3ncc4c(C)c(OC[C@@H]([NH3+])C(=O)OC(C)C)cn4n3)c2F)[nH]1 ZINC000087489393 568801748 /nfs/dbraw/zinc/80/17/48/568801748.db2.gz PEPTXFHAQKOPKN-OAHLLOKOSA-N 1 2 441.463 3.417 40 0 IGABLO O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349392 569226296 /nfs/dbraw/zinc/22/62/96/569226296.db2.gz XEKNCUAECOATKY-VGSWGCGISA-N 1 2 436.531 3.487 40 0 IGABLO O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019349392 569226297 /nfs/dbraw/zinc/22/62/97/569226297.db2.gz XEKNCUAECOATKY-VGSWGCGISA-N 1 2 436.531 3.487 40 0 IGABLO COc1cccc2cc(C[N@@H+]3CCO[C@H](c4nc(N(C)C)ncc4-c4cncnc4)C3)oc21 ZINC000019692971 569228466 /nfs/dbraw/zinc/22/84/66/569228466.db2.gz DPHUYLBHLXTETE-NRFANRHFSA-N 1 2 446.511 3.328 40 0 IGABLO COc1cccc2cc(C[N@H+]3CCO[C@H](c4nc(N(C)C)ncc4-c4cncnc4)C3)oc21 ZINC000019692971 569228468 /nfs/dbraw/zinc/22/84/68/569228468.db2.gz DPHUYLBHLXTETE-NRFANRHFSA-N 1 2 446.511 3.328 40 0 IGABLO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702900 569232506 /nfs/dbraw/zinc/23/25/06/569232506.db2.gz KYQSEUJOZJKQOI-BBKFTCMMSA-N 1 2 437.565 3.495 40 0 IGABLO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702900 569232508 /nfs/dbraw/zinc/23/25/08/569232508.db2.gz KYQSEUJOZJKQOI-BBKFTCMMSA-N 1 2 437.565 3.495 40 0 IGABLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1Cn1nc(C)cc1C ZINC000019764481 569238353 /nfs/dbraw/zinc/23/83/53/569238353.db2.gz BAIBYYJGRHKQAD-JOCHJYFZSA-N 1 2 448.571 3.481 40 0 IGABLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1Cn1nc(C)cc1C ZINC000019764481 569238354 /nfs/dbraw/zinc/23/83/54/569238354.db2.gz BAIBYYJGRHKQAD-JOCHJYFZSA-N 1 2 448.571 3.481 40 0 IGABLO O=C(N[C@@H](COc1ccccc1)Cn1cc[nH+]c1)c1ccc(I)cc1 ZINC000034299231 569257682 /nfs/dbraw/zinc/25/76/82/569257682.db2.gz NIVVWANAWIICGU-QGZVFWFLSA-N 1 2 447.276 3.365 40 0 IGABLO O=C1CO[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000067897311 291363219 /nfs/dbraw/zinc/36/32/19/291363219.db2.gz AXZBBDGLIAKLEX-XLIONFOSSA-N 1 2 434.414 3.046 40 0 biogenic,in-vitro IGABLO O=C1CO[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000067897311 291363224 /nfs/dbraw/zinc/36/32/24/291363224.db2.gz AXZBBDGLIAKLEX-XLIONFOSSA-N 1 2 434.414 3.046 40 0 biogenic,in-vitro IGABLO CC(C)(C)c1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000020486680 519034549 /nfs/dbraw/zinc/03/45/49/519034549.db2.gz BQMQBMUOTAAHOB-UHFFFAOYSA-N 1 2 440.569 3.252 40 0 IGABLO CC(C)(C)n1nnnc1[C@H](c1ccccn1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000022584634 519185502 /nfs/dbraw/zinc/18/55/02/519185502.db2.gz FCTPBEUXUBBISV-FQEVSTJZSA-N 1 2 425.968 3.384 40 0 IGABLO CCCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245229619 521255966 /nfs/dbraw/zinc/25/59/66/521255966.db2.gz BZTWKTRXVDPWHM-QDMVCWPOSA-N 1 2 436.508 3.334 40 0 IGABLO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1 ZINC000072345558 523533342 /nfs/dbraw/zinc/53/33/42/523533342.db2.gz TZRICKCENSUUKY-HXUWFJFHSA-N 1 2 448.571 3.320 40 0 IGABLO CCn1ccnc1C[N@H+]1CCC[C@@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1 ZINC000072345558 523533354 /nfs/dbraw/zinc/53/33/54/523533354.db2.gz TZRICKCENSUUKY-HXUWFJFHSA-N 1 2 448.571 3.320 40 0 IGABLO Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000223150814 525912538 /nfs/dbraw/zinc/91/25/38/525912538.db2.gz VNVNOLVIIFMKBJ-ZEQRLZLVSA-N 1 2 447.608 3.485 40 0 IGABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2 ZINC000020674068 527554776 /nfs/dbraw/zinc/55/47/76/527554776.db2.gz PBAFBKPWPQXHRX-ZDUSSCGKSA-N 1 2 435.315 3.420 40 0 IGABLO C[NH+]1CCN(S(=O)(=O)[C@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000016931934 556649341 /nfs/dbraw/zinc/64/93/41/556649341.db2.gz SIPSZTIUBTVWRZ-XMMPIXPASA-N 1 2 436.577 3.241 40 0 IGABLO Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(C(=O)Cn3cc[nH+]c3)CC2)on1 ZINC000019122908 556701704 /nfs/dbraw/zinc/70/17/04/556701704.db2.gz JWCDRQKNQTWUEF-UHFFFAOYSA-N 1 2 435.532 3.033 40 0 IGABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC2(C[C@H](Oc3ccccc3)CO2)CC1 ZINC000257286847 556715682 /nfs/dbraw/zinc/71/56/82/556715682.db2.gz PNHTYALPRDZACW-QHCPKHFHSA-N 1 2 436.552 3.362 40 0 IGABLO Cn1c(C[N@@H+]2CCNC(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)nc2ccccc21 ZINC000019289953 556729917 /nfs/dbraw/zinc/72/99/17/556729917.db2.gz IARKIIKZDHTCRP-JOCHJYFZSA-N 1 2 425.536 3.426 40 0 IGABLO Cn1c(C[N@H+]2CCNC(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)nc2ccccc21 ZINC000019289953 556729918 /nfs/dbraw/zinc/72/99/18/556729918.db2.gz IARKIIKZDHTCRP-JOCHJYFZSA-N 1 2 425.536 3.426 40 0 IGABLO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3)cc2c1 ZINC000000880302 556731880 /nfs/dbraw/zinc/73/18/80/556731880.db2.gz MKDKYHDHXZVWQI-UHFFFAOYSA-N 1 2 434.540 3.457 40 0 IGABLO CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC000019448971 556758962 /nfs/dbraw/zinc/75/89/62/556758962.db2.gz JWSPHFHMHZXCIE-FQRUVTKNSA-N 1 2 445.567 3.492 40 0 IGABLO COc1cc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc(OC)c1OC ZINC000019453671 556764182 /nfs/dbraw/zinc/76/41/82/556764182.db2.gz IGALKOMCZZPYHO-UHFFFAOYSA-N 1 2 442.560 3.021 40 0 IGABLO COc1cc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc(OC)c1OC ZINC000019453671 556764184 /nfs/dbraw/zinc/76/41/84/556764184.db2.gz IGALKOMCZZPYHO-UHFFFAOYSA-N 1 2 442.560 3.021 40 0 IGABLO COc1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c(OC)c1OC ZINC000019453689 556764367 /nfs/dbraw/zinc/76/43/67/556764367.db2.gz YBZSSPCVQMHHHO-UHFFFAOYSA-N 1 2 442.560 3.021 40 0 IGABLO COc1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c(OC)c1OC ZINC000019453689 556764370 /nfs/dbraw/zinc/76/43/70/556764370.db2.gz YBZSSPCVQMHHHO-UHFFFAOYSA-N 1 2 442.560 3.021 40 0 IGABLO Cc1cc(C[N@@H+]2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccncc2)C3)cs1 ZINC000019572063 556812308 /nfs/dbraw/zinc/81/23/08/556812308.db2.gz YIQHINXWLRECTI-FQEVSTJZSA-N 1 2 435.553 3.070 40 0 IGABLO Cc1cc(C[N@H+]2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccncc2)C3)cs1 ZINC000019572063 556812311 /nfs/dbraw/zinc/81/23/11/556812311.db2.gz YIQHINXWLRECTI-FQEVSTJZSA-N 1 2 435.553 3.070 40 0 IGABLO Cc1cc2cc(C[N@@H+](CCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000004848020 556823627 /nfs/dbraw/zinc/82/36/27/556823627.db2.gz FYOQIBYBBQWTRY-HXUWFJFHSA-N 1 2 426.565 3.078 40 0 IGABLO Cc1cc2cc(C[N@H+](CCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000004848020 556823629 /nfs/dbraw/zinc/82/36/29/556823629.db2.gz FYOQIBYBBQWTRY-HXUWFJFHSA-N 1 2 426.565 3.078 40 0 IGABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)c(C)cc3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006321155 556832972 /nfs/dbraw/zinc/83/29/72/556832972.db2.gz PYIZRAIEPIDBHD-QHCPKHFHSA-N 1 2 444.539 3.374 40 0 IGABLO COc1cc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)c(=O)[nH]c2cc1OC ZINC000008624112 556841669 /nfs/dbraw/zinc/84/16/69/556841669.db2.gz QMJJTUBRFLGHKA-NRFANRHFSA-N 1 2 438.532 3.222 40 0 IGABLO Cn1cc(C[N@@H+]2CCc3nc(N)c(C(=O)NCc4ccccn4)cc3C2)c2cc(F)ccc21 ZINC000019701134 556861239 /nfs/dbraw/zinc/86/12/39/556861239.db2.gz BHVWMOXJTQUXQU-UHFFFAOYSA-N 1 2 444.514 3.178 40 0 IGABLO Cn1cc(C[N@H+]2CCc3nc(N)c(C(=O)NCc4ccccn4)cc3C2)c2cc(F)ccc21 ZINC000019701134 556861243 /nfs/dbraw/zinc/86/12/43/556861243.db2.gz BHVWMOXJTQUXQU-UHFFFAOYSA-N 1 2 444.514 3.178 40 0 IGABLO CNc1nc([C@@H]2CCCN(C(=O)CCc3cccc(Cl)c3)C2)nc2c1C[N@H+](C)CC2 ZINC000019710475 556873487 /nfs/dbraw/zinc/87/34/87/556873487.db2.gz LIPLAWIMMWQWKV-QGZVFWFLSA-N 1 2 427.980 3.498 40 0 IGABLO CNc1nc([C@@H]2CCCN(C(=O)CCc3cccc(Cl)c3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710475 556873489 /nfs/dbraw/zinc/87/34/89/556873489.db2.gz LIPLAWIMMWQWKV-QGZVFWFLSA-N 1 2 427.980 3.498 40 0 IGABLO COc1ccccc1OCCNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1C[N@H+](C)CC2 ZINC000019752448 556896166 /nfs/dbraw/zinc/89/61/66/556896166.db2.gz KJYJVBHVFBVGDX-FQEVSTJZSA-N 1 2 439.560 3.038 40 0 IGABLO COc1ccccc1OCCNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1C[N@@H+](C)CC2 ZINC000019752448 556896168 /nfs/dbraw/zinc/89/61/68/556896168.db2.gz KJYJVBHVFBVGDX-FQEVSTJZSA-N 1 2 439.560 3.038 40 0 IGABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 ZINC000408960103 556899943 /nfs/dbraw/zinc/89/99/43/556899943.db2.gz JMXHVXGGKZRTCG-STZFKDTASA-N 1 2 447.470 3.214 40 0 IGABLO Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cccn3-c3ccc([NH+](C)C)cc3)C2=O)c1 ZINC000408962681 556901529 /nfs/dbraw/zinc/90/15/29/556901529.db2.gz ZYUHKCXXZOWYJE-JCMHNJIXSA-N 1 2 443.507 3.383 40 0 IGABLO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)C[N@H+](C)Cc1ccccn1 ZINC000072370260 556934196 /nfs/dbraw/zinc/93/41/96/556934196.db2.gz UMKOEWIYAMSXLE-GOSISDBHSA-N 1 2 436.581 3.321 40 0 IGABLO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000072370260 556934200 /nfs/dbraw/zinc/93/42/00/556934200.db2.gz UMKOEWIYAMSXLE-GOSISDBHSA-N 1 2 436.581 3.321 40 0 IGABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC4CCCC4)cc3)c2)CC1 ZINC000023056613 557060715 /nfs/dbraw/zinc/06/07/15/557060715.db2.gz DQAHKKUTKNDWDM-UHFFFAOYSA-N 1 2 443.569 3.196 40 0 IGABLO C[C@H]1CCC[N@@H+]([C@H](c2nnnn2C2CCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000006283272 557130209 /nfs/dbraw/zinc/13/02/09/557130209.db2.gz BGTJHNVUOGMCFK-QKKBWIMNSA-N 1 2 436.516 3.180 40 0 IGABLO C[C@H]1CCC[N@H+]([C@H](c2nnnn2C2CCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000006283272 557130213 /nfs/dbraw/zinc/13/02/13/557130213.db2.gz BGTJHNVUOGMCFK-QKKBWIMNSA-N 1 2 436.516 3.180 40 0 IGABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)cc2c1 ZINC000006196884 557149468 /nfs/dbraw/zinc/14/94/68/557149468.db2.gz TUOFOWQMMOPBLI-QFIPXVFZSA-N 1 2 430.512 3.147 40 0 IGABLO Cc1ccc(N2CC[N@H+](Cc3ccccc3)C3(CCN(C(=O)C4CCC4)CC3)C2=O)cn1 ZINC000096230408 557184958 /nfs/dbraw/zinc/18/49/58/557184958.db2.gz PPUFRKBMHXOMOB-UHFFFAOYSA-N 1 2 432.568 3.400 40 0 IGABLO Cc1ccc(N2CC[N@@H+](Cc3ccccc3)C3(CCN(C(=O)C4CCC4)CC3)C2=O)cn1 ZINC000096230408 557184962 /nfs/dbraw/zinc/18/49/62/557184962.db2.gz PPUFRKBMHXOMOB-UHFFFAOYSA-N 1 2 432.568 3.400 40 0 IGABLO COc1ccc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCCC3)c3nnnn3c2c1 ZINC000057675115 557253653 /nfs/dbraw/zinc/25/36/53/557253653.db2.gz VOYWJDXDEQDPDG-OAQYLSRUSA-N 1 2 447.547 3.353 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(O)CC3)cc12 ZINC000057589860 557253689 /nfs/dbraw/zinc/25/36/89/557253689.db2.gz DFJZRFGDDWKEAG-JOCHJYFZSA-N 1 2 436.560 3.183 40 0 IGABLO [NH3+][C@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ncccn3)n2)CC1 ZINC000100708855 557270810 /nfs/dbraw/zinc/27/08/10/557270810.db2.gz UIISZAIDRRIPFH-WSTZPKSXSA-N 1 2 449.534 3.109 40 0 IGABLO CCC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022928749 557271632 /nfs/dbraw/zinc/27/16/32/557271632.db2.gz USQPWOUGGKLDOU-QHCPKHFHSA-N 1 2 448.571 3.454 40 0 IGABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494604 557325701 /nfs/dbraw/zinc/32/57/01/557325701.db2.gz YXWRZAIJTUHKDR-HXUWFJFHSA-N 1 2 442.564 3.004 40 0 IGABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494604 557325702 /nfs/dbraw/zinc/32/57/02/557325702.db2.gz YXWRZAIJTUHKDR-HXUWFJFHSA-N 1 2 442.564 3.004 40 0 IGABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498462 557327840 /nfs/dbraw/zinc/32/78/40/557327840.db2.gz IIZWCEYVYHDABS-NRFANRHFSA-N 1 2 440.592 3.414 40 0 IGABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498462 557327843 /nfs/dbraw/zinc/32/78/43/557327843.db2.gz IIZWCEYVYHDABS-NRFANRHFSA-N 1 2 440.592 3.414 40 0 IGABLO Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223133024 557436715 /nfs/dbraw/zinc/43/67/15/557436715.db2.gz ZJACXBFLDFINFN-BJKOFHAPSA-N 1 2 447.608 3.485 40 0 IGABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1CC[NH+]1CCOCC1 ZINC000223150114 557439239 /nfs/dbraw/zinc/43/92/39/557439239.db2.gz MHRMBGWCYOUILD-XZOQPEGZSA-N 1 2 433.581 3.177 40 0 IGABLO CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223488315 557478391 /nfs/dbraw/zinc/47/83/91/557478391.db2.gz OERJEUPFEAWFCN-HSZRJFAPSA-N 1 2 441.547 3.000 40 0 IGABLO CCCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019502189 557500378 /nfs/dbraw/zinc/50/03/78/557500378.db2.gz BZTWKTRXVDPWHM-SMTRIPRVSA-N 1 2 436.508 3.334 40 0 IGABLO COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223696836 557503347 /nfs/dbraw/zinc/50/33/47/557503347.db2.gz JCXATMGBUDFFIJ-PKTZIBPZSA-N 1 2 449.580 3.474 40 0 IGABLO O=C(Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1(c2ccc(F)cc2)CCOCC1 ZINC000225573938 557745215 /nfs/dbraw/zinc/74/52/15/557745215.db2.gz MQONNQDNLGBYCL-UHFFFAOYSA-N 1 2 428.504 3.224 40 0 IGABLO CC(C)n1c2ccc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2sc1=O ZINC000225706342 557766950 /nfs/dbraw/zinc/76/69/50/557766950.db2.gz UMANYSMOWJPTJD-UHFFFAOYSA-N 1 2 431.583 3.150 40 0 IGABLO CCOC(=O)c1cccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1C ZINC000225778463 557776780 /nfs/dbraw/zinc/77/67/80/557776780.db2.gz GDHKLIHXGDHIBT-UHFFFAOYSA-N 1 2 427.570 3.491 40 0 IGABLO CCc1[nH+]c2ccccc2n1CCC(=O)N(C)C[C@]1(O)CCCN(c2ccc(F)cn2)C1 ZINC000257218720 568673790 /nfs/dbraw/zinc/67/37/90/568673790.db2.gz DEFGTXVGNQVBML-XMMPIXPASA-N 1 2 439.535 3.013 40 0 IGABLO CC(C)c1[nH+]c2ccccc2n1CC(=O)N(C)C[C@@]1(O)CCCN(c2ccc(F)cn2)C1 ZINC000257255656 568691343 /nfs/dbraw/zinc/69/13/43/568691343.db2.gz KIIUZJFSLBKMBR-DEOSSOPVSA-N 1 2 439.535 3.184 40 0 IGABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000257272992 568698850 /nfs/dbraw/zinc/69/88/50/568698850.db2.gz NEVBZDFLBDZCMH-SFHVURJKSA-N 1 2 440.569 3.242 40 0 IGABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000257272992 568698853 /nfs/dbraw/zinc/69/88/53/568698853.db2.gz NEVBZDFLBDZCMH-SFHVURJKSA-N 1 2 440.569 3.242 40 0 IGABLO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)cc1CO ZINC000257280614 568702581 /nfs/dbraw/zinc/70/25/81/568702581.db2.gz OLOLMROIUMVBTK-JOCHJYFZSA-N 1 2 437.544 3.332 40 0 IGABLO CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)cc1CO ZINC000257280614 568702583 /nfs/dbraw/zinc/70/25/83/568702583.db2.gz OLOLMROIUMVBTK-JOCHJYFZSA-N 1 2 437.544 3.332 40 0 IGABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@H](c3ccc(Nc4ncccn4)cn3)C1)CO2 ZINC000257309493 568715428 /nfs/dbraw/zinc/71/54/28/568715428.db2.gz UBEAMTYRWRGENC-QHCPKHFHSA-N 1 2 431.496 3.473 40 0 IGABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@H](c3ccc(Nc4ncccn4)cn3)C1)CO2 ZINC000257309493 568715430 /nfs/dbraw/zinc/71/54/30/568715430.db2.gz UBEAMTYRWRGENC-QHCPKHFHSA-N 1 2 431.496 3.473 40 0 IGABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccco3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306123616 568762795 /nfs/dbraw/zinc/76/27/95/568762795.db2.gz ARZXHQOYBZWYIE-NTKDMRAZSA-N 1 2 433.512 3.111 40 0 IGABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)CC4CC4)C[C@@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306124425 568763252 /nfs/dbraw/zinc/76/32/52/568763252.db2.gz BPMHBERLCICYIO-XXBNENTESA-N 1 2 441.601 3.374 40 0 IGABLO Cc1[nH+]c2c(n1C(C)C)CN(C(=O)c1ccc(C)cn1)CC21CCN(c2ncccn2)CC1 ZINC000306125625 568763979 /nfs/dbraw/zinc/76/39/79/568763979.db2.gz CWEHKQHKYLQYRC-UHFFFAOYSA-N 1 2 445.571 3.460 40 0 IGABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@H+](Cc3scnc3C)C[C@@H]1S2(=O)=O ZINC000306128431 568765265 /nfs/dbraw/zinc/76/52/65/568765265.db2.gz HADVFUMKJWEVKY-PXNSSMCTSA-N 1 2 427.551 3.277 40 0 IGABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3scnc3C)C[C@@H]1S2(=O)=O ZINC000306128431 568765267 /nfs/dbraw/zinc/76/52/67/568765267.db2.gz HADVFUMKJWEVKY-PXNSSMCTSA-N 1 2 427.551 3.277 40 0 IGABLO COc1ccccc1C[N@H+]1Cc2nc(-c3ccccc3)nn2C[C@@H](C(=O)NC2CCC2)C1 ZINC000306141787 568772357 /nfs/dbraw/zinc/77/23/57/568772357.db2.gz WGOBFMCONSIUGD-FQEVSTJZSA-N 1 2 431.540 3.254 40 0 IGABLO COc1ccccc1C[N@@H+]1Cc2nc(-c3ccccc3)nn2C[C@@H](C(=O)NC2CCC2)C1 ZINC000306141787 568772359 /nfs/dbraw/zinc/77/23/59/568772359.db2.gz WGOBFMCONSIUGD-FQEVSTJZSA-N 1 2 431.540 3.254 40 0 IGABLO CCn1cc(C[N@@H+]2Cc3c(nc(C)n3C(C)C)C3(CCN(c4ncccn4)CC3)C2)cn1 ZINC000306145082 568774147 /nfs/dbraw/zinc/77/41/47/568774147.db2.gz ZXIHYOUDZMBEGS-UHFFFAOYSA-N 1 2 434.592 3.333 40 0 IGABLO CCn1cc(C[N@H+]2Cc3c(nc(C)n3C(C)C)C3(CCN(c4ncccn4)CC3)C2)cn1 ZINC000306145082 568774148 /nfs/dbraw/zinc/77/41/48/568774148.db2.gz ZXIHYOUDZMBEGS-UHFFFAOYSA-N 1 2 434.592 3.333 40 0 IGABLO CCn1cc(CN2Cc3c([nH+]c(C)n3C(C)C)C3(CCN(c4ncccn4)CC3)C2)cn1 ZINC000306145082 568774150 /nfs/dbraw/zinc/77/41/50/568774150.db2.gz ZXIHYOUDZMBEGS-UHFFFAOYSA-N 1 2 434.592 3.333 40 0 IGABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000000890321 568858947 /nfs/dbraw/zinc/85/89/47/568858947.db2.gz KPBYVXIWNNHZBC-GAJHUEQPSA-N 1 2 444.539 3.393 40 0 IGABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000000890321 568858948 /nfs/dbraw/zinc/85/89/48/568858948.db2.gz KPBYVXIWNNHZBC-GAJHUEQPSA-N 1 2 444.539 3.393 40 0 IGABLO CCOC(=O)C1C(C[NH2+]Cc2ccc(Cl)cc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013565844 568905230 /nfs/dbraw/zinc/90/52/30/568905230.db2.gz ARDWTABHJXTEDX-HXUWFJFHSA-N 1 2 429.904 3.310 40 0 IGABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245230043 569205385 /nfs/dbraw/zinc/20/53/85/569205385.db2.gz KSHIPPBAPXPXOS-UPUUWEMXSA-N 1 2 446.528 3.353 40 0 IGABLO Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCC[N@@H+]2CC(=O)NC2CCCCC2)n1 ZINC000019766698 569239572 /nfs/dbraw/zinc/23/95/72/569239572.db2.gz JIRFATUVZSDNOU-OAQYLSRUSA-N 1 2 427.593 3.433 40 0 IGABLO Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCC[N@H+]2CC(=O)NC2CCCCC2)n1 ZINC000019766698 569239573 /nfs/dbraw/zinc/23/95/73/569239573.db2.gz JIRFATUVZSDNOU-OAQYLSRUSA-N 1 2 427.593 3.433 40 0 IGABLO COc1cccc(C[N@@H+]2CCO[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)c1 ZINC000019759675 569328758 /nfs/dbraw/zinc/32/87/58/569328758.db2.gz MAWGZCULHJOPSS-VWLOTQADSA-N 1 2 447.535 3.289 40 0 IGABLO COc1cccc(C[N@H+]2CCO[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)c1 ZINC000019759675 569328759 /nfs/dbraw/zinc/32/87/59/569328759.db2.gz MAWGZCULHJOPSS-VWLOTQADSA-N 1 2 447.535 3.289 40 0 IGABLO CC(C)C[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000013505156 132348722 /nfs/dbraw/zinc/34/87/22/132348722.db2.gz RKOVXSFXZKYXMY-NRFANRHFSA-N 1 2 434.544 3.360 40 0 IGABLO CCCOc1ccc(C(=O)[C@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000022861988 520339869 /nfs/dbraw/zinc/33/98/69/520339869.db2.gz RAMJYYGIGMBUCY-DQEYMECFSA-N 1 2 438.568 3.432 40 0 IGABLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](CC)Cn1nc(-c2cccs2)ccc1=O ZINC000012221290 522500344 /nfs/dbraw/zinc/50/03/44/522500344.db2.gz SAQLPJQKTPFDAH-INIZCTEOSA-N 1 2 435.553 3.479 40 0 IGABLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](CC)Cn1nc(-c2cccs2)ccc1=O ZINC000012116217 522501155 /nfs/dbraw/zinc/50/11/55/522501155.db2.gz SAQLPJQKTPFDAH-MRXNPFEDSA-N 1 2 435.553 3.479 40 0 IGABLO CCc1nn2c(ncc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccc(Br)cc1 ZINC000038829795 556621238 /nfs/dbraw/zinc/62/12/38/556621238.db2.gz DQKMKCXQESREGY-UHFFFAOYSA-N 1 2 442.361 3.417 40 0 IGABLO O=C(c1cccc(S(=O)(=O)Nc2ccccc2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000047156128 556695153 /nfs/dbraw/zinc/69/51/53/556695153.db2.gz AJHNZHYSEDODTA-UHFFFAOYSA-N 1 2 435.549 3.445 40 0 IGABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccc(Cl)cc3)CC2)CN1S(C)(=O)=O ZINC000257270224 556713733 /nfs/dbraw/zinc/71/37/33/556713733.db2.gz MTGDJEOURHDHQE-UHFFFAOYSA-N 1 2 427.998 3.195 40 0 IGABLO Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C[C@@H]4C(=O)NCC[N@H+]4C)C3)c(-c3ccncc3)c2c1 ZINC000019220208 556714730 /nfs/dbraw/zinc/71/47/30/556714730.db2.gz YTARWYJTBISADJ-DENIHFKCSA-N 1 2 445.567 3.065 40 0 IGABLO Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C[C@@H]4C(=O)NCC[N@@H+]4C)C3)c(-c3ccncc3)c2c1 ZINC000019220208 556714731 /nfs/dbraw/zinc/71/47/31/556714731.db2.gz YTARWYJTBISADJ-DENIHFKCSA-N 1 2 445.567 3.065 40 0 IGABLO O=C(C[N@@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccc(C2CCCCC2)cc1 ZINC000019333097 556737880 /nfs/dbraw/zinc/73/78/80/556737880.db2.gz DYPHMMGIXDJLIG-UHFFFAOYSA-N 1 2 435.572 3.415 40 0 IGABLO O=C(C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)Nc1ccc(C2CCCCC2)cc1 ZINC000019333097 556737883 /nfs/dbraw/zinc/73/78/83/556737883.db2.gz DYPHMMGIXDJLIG-UHFFFAOYSA-N 1 2 435.572 3.415 40 0 IGABLO O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349390 556744399 /nfs/dbraw/zinc/74/43/99/556744399.db2.gz XEKNCUAECOATKY-HTAPYJJXSA-N 1 2 436.531 3.487 40 0 IGABLO O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019349390 556744400 /nfs/dbraw/zinc/74/44/00/556744400.db2.gz XEKNCUAECOATKY-HTAPYJJXSA-N 1 2 436.531 3.487 40 0 IGABLO O=c1[nH]c(N2CCCC2)nc2c1C[N@H+](Cc1nc3ccccc3n1Cc1ccccc1)CC2 ZINC000019372900 556749376 /nfs/dbraw/zinc/74/93/76/556749376.db2.gz RCDBAOCVUBPQCH-UHFFFAOYSA-N 1 2 440.551 3.326 40 0 IGABLO O=c1[nH]c(N2CCCC2)nc2c1C[N@@H+](Cc1nc3ccccc3n1Cc1ccccc1)CC2 ZINC000019372900 556749379 /nfs/dbraw/zinc/74/93/79/556749379.db2.gz RCDBAOCVUBPQCH-UHFFFAOYSA-N 1 2 440.551 3.326 40 0 IGABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)C5[C@@H]6CCCC[C@H]56)CC4)[nH]n3c(=O)c2C1 ZINC000019448121 556757156 /nfs/dbraw/zinc/75/71/56/556757156.db2.gz CDFRLPGUCGBTKT-NHJWOMDBSA-N 1 2 437.588 3.344 40 0 IGABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)C5[C@@H]6CCCC[C@H]56)CC4)[nH]n3c(=O)c2C1 ZINC000019448121 556757159 /nfs/dbraw/zinc/75/71/59/556757159.db2.gz CDFRLPGUCGBTKT-NHJWOMDBSA-N 1 2 437.588 3.344 40 0 IGABLO COc1ccc(-n2ncc(C(=O)[C@H]3CCC[N@H+](Cc4cnc(C(C)C)nc4)C3)c2N)cc1 ZINC000019454034 556764583 /nfs/dbraw/zinc/76/45/83/556764583.db2.gz ZWALOPQBWKJKEQ-SFHVURJKSA-N 1 2 434.544 3.471 40 0 IGABLO COc1ccc(-n2ncc(C(=O)[C@H]3CCC[N@@H+](Cc4cnc(C(C)C)nc4)C3)c2N)cc1 ZINC000019454034 556764586 /nfs/dbraw/zinc/76/45/86/556764586.db2.gz ZWALOPQBWKJKEQ-SFHVURJKSA-N 1 2 434.544 3.471 40 0 IGABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000001346621 556779910 /nfs/dbraw/zinc/77/99/10/556779910.db2.gz OZHFNJZMWORMCZ-UHFFFAOYSA-N 1 2 435.465 3.284 40 0 IGABLO Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCCC3)c(=O)[nH]c2c1C ZINC000006442526 556835965 /nfs/dbraw/zinc/83/59/65/556835965.db2.gz XAVIXCXCJKNCIR-DENIHFKCSA-N 1 2 436.560 3.276 40 0 IGABLO CNc1nc([C@H]2CCCCN2C(=O)CCOc2cccc(F)c2)nc2c1C[N@H+](C)CC2 ZINC000019710394 556872830 /nfs/dbraw/zinc/87/28/30/556872830.db2.gz QTZWXSBGIWHIKK-HXUWFJFHSA-N 1 2 427.524 3.168 40 0 IGABLO CNc1nc([C@H]2CCCCN2C(=O)CCOc2cccc(F)c2)nc2c1C[N@@H+](C)CC2 ZINC000019710394 556872834 /nfs/dbraw/zinc/87/28/34/556872834.db2.gz QTZWXSBGIWHIKK-HXUWFJFHSA-N 1 2 427.524 3.168 40 0 IGABLO CNc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(NC(C)=O)cc2)nc2c1CN(C(C)=O)CC2 ZINC000019710415 556873003 /nfs/dbraw/zinc/87/30/03/556873003.db2.gz HEYLIISYUWQPJV-QFIPXVFZSA-N 1 2 436.560 3.109 40 0 IGABLO CNc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(NC(C)=O)cc2)nc2c1CN(C(C)=O)CC2 ZINC000019710415 556873006 /nfs/dbraw/zinc/87/30/06/556873006.db2.gz HEYLIISYUWQPJV-QFIPXVFZSA-N 1 2 436.560 3.109 40 0 IGABLO Cc1cc2[nH+]cn(CCC(=O)N3CCC[C@@H]3c3nc(C)c4c(n3)N(C)C(=O)CC4)c2cc1C ZINC000019741879 556885246 /nfs/dbraw/zinc/88/52/46/556885246.db2.gz YPOJCSFZGOQVHK-HXUWFJFHSA-N 1 2 446.555 3.414 40 0 IGABLO COc1cccc(Nc2noc3c2C[N@H+](Cc2cc4c(cc2C)n(C)c(=O)n4C)CC3)c1 ZINC000072351384 556921098 /nfs/dbraw/zinc/92/10/98/556921098.db2.gz USNUGLWJZQMDQO-UHFFFAOYSA-N 1 2 433.512 3.484 40 0 IGABLO COc1cccc(Nc2noc3c2C[N@@H+](Cc2cc4c(cc2C)n(C)c(=O)n4C)CC3)c1 ZINC000072351384 556921101 /nfs/dbraw/zinc/92/11/01/556921101.db2.gz USNUGLWJZQMDQO-UHFFFAOYSA-N 1 2 433.512 3.484 40 0 IGABLO CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000072355567 556930528 /nfs/dbraw/zinc/93/05/28/556930528.db2.gz MSMFTBDVBBLKGV-INIZCTEOSA-N 1 2 429.521 3.493 40 0 IGABLO COc1ccc(S[C@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000019934636 556950395 /nfs/dbraw/zinc/95/03/95/556950395.db2.gz ANCYUYTXENAMHD-MRXNPFEDSA-N 1 2 444.553 3.258 40 0 IGABLO O=C(NCC[NH+]1CCOCC1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257342786 557008230 /nfs/dbraw/zinc/00/82/30/557008230.db2.gz ZQDWNQHVEGSCOQ-UHFFFAOYSA-N 1 2 426.532 3.280 40 0 IGABLO CC1CC[NH+]([C@H](c2nnnn2C2CCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000006148944 557146243 /nfs/dbraw/zinc/14/62/43/557146243.db2.gz OBTMMVSQBZUEAG-NRFANRHFSA-N 1 2 436.516 3.180 40 0 IGABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1C[C@@H](c2ccccc2)[C@]2(C1)CCCCC(=O)N2 ZINC000585261680 557195452 /nfs/dbraw/zinc/19/54/52/557195452.db2.gz FLYZXBXFOKQYSM-RPLLCQBOSA-N 1 2 447.579 3.187 40 0 IGABLO COC(=O)[C@]1(CCSC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000012496857 557245321 /nfs/dbraw/zinc/24/53/21/557245321.db2.gz XRDFBFRVSINNEM-GRXQJBFDSA-N 1 2 448.541 3.002 40 0 IGABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(O)CC3)cc2c1 ZINC000057589774 557250216 /nfs/dbraw/zinc/25/02/16/557250216.db2.gz FJWKGPHYZUYVAP-QFIPXVFZSA-N 1 2 436.560 3.183 40 0 IGABLO CCC(=O)N1CCc2nc3cc([C@H]4CCC[N@H+](Cc5cccc(F)c5)C4)[nH]n3c(=O)c2C1 ZINC000100233716 557250904 /nfs/dbraw/zinc/25/09/04/557250904.db2.gz BMJNOZMPNJYYAK-KRWDZBQOSA-N 1 2 437.519 3.248 40 0 IGABLO CCC(=O)N1CCc2nc3cc([C@H]4CCC[N@@H+](Cc5cccc(F)c5)C4)[nH]n3c(=O)c2C1 ZINC000100233716 557250905 /nfs/dbraw/zinc/25/09/05/557250905.db2.gz BMJNOZMPNJYYAK-KRWDZBQOSA-N 1 2 437.519 3.248 40 0 IGABLO CC[C@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](Cc2ccncc2)CC4)C1 ZINC000100233683 557251061 /nfs/dbraw/zinc/25/10/61/557251061.db2.gz NXDSENOAJOHQGS-HKUYNNGSSA-N 1 2 448.571 3.140 40 0 IGABLO CC[C@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](Cc2ccncc2)CC4)C1 ZINC000100233683 557251063 /nfs/dbraw/zinc/25/10/63/557251063.db2.gz NXDSENOAJOHQGS-HKUYNNGSSA-N 1 2 448.571 3.140 40 0 IGABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)CC1 ZINC000102241928 557300557 /nfs/dbraw/zinc/30/05/57/557300557.db2.gz UNSCKEWYCWEMFD-HNNXBMFYSA-N 1 2 432.826 3.266 40 0 IGABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1CC[NH+]1CCOCC1 ZINC000223162702 557440275 /nfs/dbraw/zinc/44/02/75/557440275.db2.gz ZOKZKKGPGHWKFM-FGZHOGPDSA-N 1 2 425.602 3.303 40 0 IGABLO CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223488370 557478447 /nfs/dbraw/zinc/47/84/47/557478447.db2.gz OERJEUPFEAWFCN-QHCPKHFHSA-N 1 2 441.547 3.000 40 0 IGABLO COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C(C)C ZINC000223654737 557498078 /nfs/dbraw/zinc/49/80/78/557498078.db2.gz UUGKVXUIJYFNRL-UHFFFAOYSA-N 1 2 431.558 3.007 40 0 IGABLO COC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3cccc(OC)c3OC)CC2)cc1 ZINC000020098131 557515095 /nfs/dbraw/zinc/51/50/95/557515095.db2.gz SHXYBHHKKXMKFZ-UHFFFAOYSA-N 1 2 429.542 3.005 40 0 IGABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000020150565 557516235 /nfs/dbraw/zinc/51/62/35/557516235.db2.gz VOLZWKVHVWQOJR-FBAVSBLXSA-N 1 2 430.501 3.439 40 0 IGABLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224219698 557576988 /nfs/dbraw/zinc/57/69/88/557576988.db2.gz JCTGLWHHTLEJAG-UHFFFAOYSA-N 1 2 446.960 3.490 40 0 IGABLO Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCCn3cc[nH+]c3)ccc2C)cc1 ZINC000224312010 557589512 /nfs/dbraw/zinc/58/95/12/557589512.db2.gz AENBSDKWTXJKDW-UHFFFAOYSA-N 1 2 426.542 3.145 40 0 IGABLO CCCOCc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1OC ZINC000224417964 557604013 /nfs/dbraw/zinc/60/40/13/557604013.db2.gz COVZSWZKTOAMSY-UHFFFAOYSA-N 1 2 426.513 3.309 40 0 IGABLO COc1cccc(CC(=O)N2CCO[C@@H](c3cc(Nc4nncs4)cc(C)[nH+]3)C2)c1 ZINC000257229852 568678641 /nfs/dbraw/zinc/67/86/41/568678641.db2.gz FZSJUMKKIHGOLQ-LJQANCHMSA-N 1 2 425.514 3.136 40 0 IGABLO COc1ccccc1S(=O)(=O)N1CCO[C@@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000257254266 568690477 /nfs/dbraw/zinc/69/04/77/568690477.db2.gz KCKHDRIDGIXSOM-HXUWFJFHSA-N 1 2 440.525 3.299 40 0 IGABLO COCCc1ncc(CN2CCO[C@@H](c3cc(Nc4cccc(C)[nH+]4)cc(C)n3)C2)cn1 ZINC000257282276 568702901 /nfs/dbraw/zinc/70/29/01/568702901.db2.gz OTCLTLHBBSJLFL-JOCHJYFZSA-N 1 2 434.544 3.389 40 0 IGABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@@H](c3ccc(Nc4ncccn4)cn3)C1)CO2 ZINC000257309492 568715197 /nfs/dbraw/zinc/71/51/97/568715197.db2.gz UBEAMTYRWRGENC-HSZRJFAPSA-N 1 2 431.496 3.473 40 0 IGABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@@H](c3ccc(Nc4ncccn4)cn3)C1)CO2 ZINC000257309492 568715199 /nfs/dbraw/zinc/71/51/99/568715199.db2.gz UBEAMTYRWRGENC-HSZRJFAPSA-N 1 2 431.496 3.473 40 0 IGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1 ZINC000257337489 568727523 /nfs/dbraw/zinc/72/75/23/568727523.db2.gz YTAAUEPVSHLZSF-JOCHJYFZSA-N 1 2 429.952 3.310 40 0 IGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1 ZINC000257337489 568727526 /nfs/dbraw/zinc/72/75/26/568727526.db2.gz YTAAUEPVSHLZSF-JOCHJYFZSA-N 1 2 429.952 3.310 40 0 IGABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1 ZINC000257337490 568727597 /nfs/dbraw/zinc/72/75/97/568727597.db2.gz YTAAUEPVSHLZSF-QFIPXVFZSA-N 1 2 429.952 3.310 40 0 IGABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1 ZINC000257337490 568727599 /nfs/dbraw/zinc/72/75/99/568727599.db2.gz YTAAUEPVSHLZSF-QFIPXVFZSA-N 1 2 429.952 3.310 40 0 IGABLO CC1(C)C=C(CC(=O)N2CCO[C@@H](c3cccc(Nc4nncs4)n3)C2)CC(C)(C)[NH2+]1 ZINC000257344718 568730409 /nfs/dbraw/zinc/73/04/09/568730409.db2.gz ZYKDOBNTVULCJU-QGZVFWFLSA-N 1 2 442.589 3.444 40 0 IGABLO C[C@H](CO)Nc1nc(NCc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328996732 568808872 /nfs/dbraw/zinc/80/88/72/568808872.db2.gz JMSUBUCYCTXNQW-CYBMUJFWSA-N 1 2 436.409 3.430 40 0 IGABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500289 568905016 /nfs/dbraw/zinc/90/50/16/568905016.db2.gz CQTXYGQGBAOINY-OAQYLSRUSA-N 1 2 440.592 3.468 40 0 IGABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500289 568905018 /nfs/dbraw/zinc/90/50/18/568905018.db2.gz CQTXYGQGBAOINY-OAQYLSRUSA-N 1 2 440.592 3.468 40 0 IGABLO COC(=O)[C@]1(CCSC)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245229757 569205252 /nfs/dbraw/zinc/20/52/52/569205252.db2.gz FFKNXVBTRJYGAF-ZBNTXBBCSA-N 1 2 438.549 3.110 40 0 IGABLO CC(C)Oc1ccccc1C[N@@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692717 569228156 /nfs/dbraw/zinc/22/81/56/569228156.db2.gz BVPDSVAWVJWUSJ-QFIPXVFZSA-N 1 2 434.544 3.360 40 0 IGABLO CC(C)Oc1ccccc1C[N@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692717 569228157 /nfs/dbraw/zinc/22/81/57/569228157.db2.gz BVPDSVAWVJWUSJ-QFIPXVFZSA-N 1 2 434.544 3.360 40 0 IGABLO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2C[N@H+](Cc3cccnc3N(C)C)CCO2)cc1 ZINC000019692955 569228414 /nfs/dbraw/zinc/22/84/14/569228414.db2.gz HTMLVXMDEGVNMI-JOCHJYFZSA-N 1 2 448.571 3.253 40 0 IGABLO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2C[N@@H+](Cc3cccnc3N(C)C)CCO2)cc1 ZINC000019692955 569228415 /nfs/dbraw/zinc/22/84/15/569228415.db2.gz HTMLVXMDEGVNMI-JOCHJYFZSA-N 1 2 448.571 3.253 40 0 IGABLO COc1cccc2ccc(C[N@H+](C)Cc3cc(N(C)C)nc([C@H]4CCCN4C(C)=O)n3)nc21 ZINC000019709816 569234884 /nfs/dbraw/zinc/23/48/84/569234884.db2.gz FUSRSABZXVIEJD-OAQYLSRUSA-N 1 2 448.571 3.415 40 0 IGABLO COc1cccc2ccc(C[N@@H+](C)Cc3cc(N(C)C)nc([C@H]4CCCN4C(C)=O)n3)nc21 ZINC000019709816 569234885 /nfs/dbraw/zinc/23/48/85/569234885.db2.gz FUSRSABZXVIEJD-OAQYLSRUSA-N 1 2 448.571 3.415 40 0 IGABLO CN(C)C(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000019739051 569236449 /nfs/dbraw/zinc/23/64/49/569236449.db2.gz BAJUAYMPLVTIGZ-QFIPXVFZSA-N 1 2 445.589 3.140 40 0 IGABLO CN(C)C(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000019739051 569236450 /nfs/dbraw/zinc/23/64/50/569236450.db2.gz BAJUAYMPLVTIGZ-QFIPXVFZSA-N 1 2 445.589 3.140 40 0 IGABLO CCOc1cccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC ZINC000261361677 569315641 /nfs/dbraw/zinc/31/56/41/569315641.db2.gz ALUXONCJMXFEFY-OAQYLSRUSA-O 1 2 439.517 3.179 40 0 IGABLO C[N@H+](CC(=O)N1CCO[C@@H](c2nccnc2-c2cccc(F)c2)C1)Cc1ccccc1F ZINC000019693326 569326626 /nfs/dbraw/zinc/32/66/26/569326626.db2.gz NULHIRTVDOFRBJ-OAQYLSRUSA-N 1 2 438.478 3.454 40 0 IGABLO C[N@@H+](CC(=O)N1CCO[C@@H](c2nccnc2-c2cccc(F)c2)C1)Cc1ccccc1F ZINC000019693326 569326628 /nfs/dbraw/zinc/32/66/28/569326628.db2.gz NULHIRTVDOFRBJ-OAQYLSRUSA-N 1 2 438.478 3.454 40 0 IGABLO CC(C)[C@H](CO)Nc1nc(NC[C@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329070003 569583342 /nfs/dbraw/zinc/58/33/42/569583342.db2.gz ZCMOTVOLWNGQDE-AEFFLSMTSA-N 1 2 440.466 4.062 40 0 IGABLO COc1ccccc1[C@H]1CC(=O)c2c(C)nc(N3CCN(c4cccc[nH+]4)CC3)nc2C1 ZINC000010157306 132335004 /nfs/dbraw/zinc/33/50/04/132335004.db2.gz SALACJSBMSMKHK-GOSISDBHSA-N 1 2 429.524 3.428 40 0 IGABLO CCCSc1ncc(C[NH+]2CCC3(CC2)CNC(=O)c2ccc(OC)cc2O3)cn1 ZINC000012142612 520568744 /nfs/dbraw/zinc/56/87/44/520568744.db2.gz SRFMYFQDUWRMJN-UHFFFAOYSA-N 1 2 428.558 3.144 40 0 IGABLO CC[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000022524935 521851491 /nfs/dbraw/zinc/85/14/91/521851491.db2.gz QDBOGZQFBJYCKM-IBGZPJMESA-N 1 2 446.960 3.387 40 0 IGABLO COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223696879 523072355 /nfs/dbraw/zinc/07/23/55/523072355.db2.gz JCXATMGBUDFFIJ-XZOQPEGZSA-N 1 2 449.580 3.474 40 0 IGABLO COCCOc1cc(C[N@@H+]2CC[C@@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)ccc1OC ZINC000012255398 524041141 /nfs/dbraw/zinc/04/11/41/524041141.db2.gz SJMXERXNMMIZQQ-GOSISDBHSA-N 1 2 426.517 3.075 40 0 IGABLO COCCOc1cc(C[N@H+]2CC[C@@H](c3cc4nc(C)c(C)c(=O)n4[nH]3)C2)ccc1OC ZINC000012255398 524041145 /nfs/dbraw/zinc/04/11/45/524041145.db2.gz SJMXERXNMMIZQQ-GOSISDBHSA-N 1 2 426.517 3.075 40 0 IGABLO Cc1ccc(N(CCCC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)cc1C ZINC000022509146 524898662 /nfs/dbraw/zinc/89/86/62/524898662.db2.gz GGNHIOUSMDDYEK-UHFFFAOYSA-N 1 2 440.569 3.352 40 0 IGABLO CCc1ccccc1N(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccc(C)cc1 ZINC000408574682 555925505 /nfs/dbraw/zinc/92/55/05/555925505.db2.gz KAEDOLAYQDJWLL-UHFFFAOYSA-N 1 2 440.569 3.156 40 0 IGABLO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCn2cc[nH+]c2)ccc1Cl ZINC000408620674 555989576 /nfs/dbraw/zinc/98/95/76/555989576.db2.gz QJAJNSUAHCEWKR-UHFFFAOYSA-N 1 2 432.933 3.466 40 0 IGABLO O=C1C[C@H]([NH+]2CCN(c3ccccn3)CC2)C(=O)N1CC(c1ccccc1)c1ccccc1 ZINC000100561657 556547596 /nfs/dbraw/zinc/54/75/96/556547596.db2.gz XMXCPAZDXYLPCP-DEOSSOPVSA-N 1 2 440.547 3.163 40 0 IGABLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000033406918 556563693 /nfs/dbraw/zinc/56/36/93/556563693.db2.gz LGGBFYPQTKDCRU-UHFFFAOYSA-N 1 2 441.597 3.128 40 0 IGABLO COc1ccc(-c2cccc(CC3(C(=O)NCC[NH+]4CCOCC4)CCOCC3)c2)cc1 ZINC000257344873 556718846 /nfs/dbraw/zinc/71/88/46/556718846.db2.gz ZYZVZUVYVZRWLF-UHFFFAOYSA-N 1 2 438.568 3.150 40 0 IGABLO Cc1nc2c(c(N3CCN(C(=O)c4ccccc4F)CC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000019286210 556727642 /nfs/dbraw/zinc/72/76/42/556727642.db2.gz TXLRVFZBMLXGEO-UHFFFAOYSA-N 1 2 445.542 3.445 40 0 IGABLO Cc1nc2c(c(N3CCN(C(=O)c4ccccc4F)CC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000019286210 556727646 /nfs/dbraw/zinc/72/76/46/556727646.db2.gz TXLRVFZBMLXGEO-UHFFFAOYSA-N 1 2 445.542 3.445 40 0 IGABLO CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC000019448981 556758990 /nfs/dbraw/zinc/75/89/90/556758990.db2.gz FKZHFJAWMPVWHI-IBVKSMDESA-N 1 2 445.567 3.492 40 0 IGABLO CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC000019448985 556759047 /nfs/dbraw/zinc/75/90/47/556759047.db2.gz FKZHFJAWMPVWHI-FNZWTVRRSA-N 1 2 445.567 3.492 40 0 IGABLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)[C@@H](C)n1ncc2ccccc2c1=O ZINC000019451467 556762007 /nfs/dbraw/zinc/76/20/07/556762007.db2.gz DDUSSFJCUXVBTO-WZONZLPQSA-N 1 2 436.531 3.466 40 0 IGABLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)[C@@H](C)n1ncc2ccccc2c1=O ZINC000019451467 556762009 /nfs/dbraw/zinc/76/20/09/556762009.db2.gz DDUSSFJCUXVBTO-WZONZLPQSA-N 1 2 436.531 3.466 40 0 IGABLO C[C@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCCC2)CC4)CC1 ZINC000019462896 556767778 /nfs/dbraw/zinc/76/77/78/556767778.db2.gz CKBKQPDEGHBWTI-QFBILLFUSA-N 1 2 437.588 3.488 40 0 IGABLO C[C@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCCC2)CC4)CC1 ZINC000019462896 556767781 /nfs/dbraw/zinc/76/77/81/556767781.db2.gz CKBKQPDEGHBWTI-QFBILLFUSA-N 1 2 437.588 3.488 40 0 IGABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004848014 556823758 /nfs/dbraw/zinc/82/37/58/556823758.db2.gz GISSIKAYYLUVNX-HXUWFJFHSA-N 1 2 426.565 3.160 40 0 IGABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004848014 556823760 /nfs/dbraw/zinc/82/37/60/556823760.db2.gz GISSIKAYYLUVNX-HXUWFJFHSA-N 1 2 426.565 3.160 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(C)CC3)cc12 ZINC000006405703 556834267 /nfs/dbraw/zinc/83/42/67/556834267.db2.gz UUNPDEUOGZKVQG-PGRDOPGGSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc2cc(C[N@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1C ZINC000006410275 556835377 /nfs/dbraw/zinc/83/53/77/556835377.db2.gz CQSBKYWPCFKWDC-OAQYLSRUSA-N 1 2 436.560 3.255 40 0 IGABLO Cc1ccc2cc(C[N@@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1C ZINC000006410275 556835378 /nfs/dbraw/zinc/83/53/78/556835378.db2.gz CQSBKYWPCFKWDC-OAQYLSRUSA-N 1 2 436.560 3.255 40 0 IGABLO Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1C ZINC000006442496 556835938 /nfs/dbraw/zinc/83/59/38/556835938.db2.gz OLLOJOVZGDEESM-WQFQCULDSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1C ZINC000006442496 556835940 /nfs/dbraw/zinc/83/59/40/556835940.db2.gz OLLOJOVZGDEESM-WQFQCULDSA-N 1 2 436.560 3.132 40 0 IGABLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCO[C@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697637 556855285 /nfs/dbraw/zinc/85/52/85/556855285.db2.gz ZBDKJIJDOHKAIH-KRWDZBQOSA-N 1 2 442.585 3.218 40 0 IGABLO CC(C)(C)c1n[nH]cc1C[N@H+]1CCO[C@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000019697637 556855288 /nfs/dbraw/zinc/85/52/88/556855288.db2.gz ZBDKJIJDOHKAIH-KRWDZBQOSA-N 1 2 442.585 3.218 40 0 IGABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c(C(N)=O)[nH]2)C1 ZINC000019698825 556857993 /nfs/dbraw/zinc/85/79/93/556857993.db2.gz OSOVPJZAHGTPHS-GOSISDBHSA-N 1 2 442.523 3.240 40 0 IGABLO COc1ccc(CCNc2nc(C3CCN(C(C)=O)CC3)nc3c2C[N@H+](C)CC3)cc1C ZINC000019710443 556873142 /nfs/dbraw/zinc/87/31/42/556873142.db2.gz GFFOXSGSFAIREU-UHFFFAOYSA-N 1 2 437.588 3.162 40 0 IGABLO COc1ccc(CCNc2nc(C3CCN(C(C)=O)CC3)nc3c2C[N@@H+](C)CC3)cc1C ZINC000019710443 556873147 /nfs/dbraw/zinc/87/31/47/556873147.db2.gz GFFOXSGSFAIREU-UHFFFAOYSA-N 1 2 437.588 3.162 40 0 IGABLO CNc1nc([C@H]2CCCN(C(=O)C(C)(C)c3ccc(OC)cc3)C2)nc2c1C[N@H+](C)CC2 ZINC000019710543 556873760 /nfs/dbraw/zinc/87/37/60/556873760.db2.gz ULMMRQNYUWNBJI-KRWDZBQOSA-N 1 2 437.588 3.199 40 0 IGABLO CNc1nc([C@H]2CCCN(C(=O)C(C)(C)c3ccc(OC)cc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710543 556873763 /nfs/dbraw/zinc/87/37/63/556873763.db2.gz ULMMRQNYUWNBJI-KRWDZBQOSA-N 1 2 437.588 3.199 40 0 IGABLO CNc1nc([C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2c1C[N@H+](C)CC2 ZINC000019710593 556874067 /nfs/dbraw/zinc/87/40/67/556874067.db2.gz RQZGZRADRXUTCC-SFHVURJKSA-N 1 2 432.572 3.326 40 0 IGABLO CNc1nc([C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710593 556874070 /nfs/dbraw/zinc/87/40/70/556874070.db2.gz RQZGZRADRXUTCC-SFHVURJKSA-N 1 2 432.572 3.326 40 0 IGABLO Cc1nc([C@H]2CCCN(C(=O)Cn3c4ccccc4[nH+]c3C(C)C)C2)nc2c1CC(=O)N2C ZINC000019743872 556889090 /nfs/dbraw/zinc/88/90/90/556889090.db2.gz FHBGYXHQJIMVMH-KRWDZBQOSA-N 1 2 446.555 3.183 40 0 IGABLO Cc1nc([C@H]2CCCN(C(=O)CCn3c4ccccc4[nH+]c3C(C)C)C2)ncc1C(N)=O ZINC000019763740 556908464 /nfs/dbraw/zinc/90/84/64/556908464.db2.gz XQHONNIOYVNMRF-KRWDZBQOSA-N 1 2 434.544 3.153 40 0 IGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCC(C)CC1 ZINC000006149518 557146439 /nfs/dbraw/zinc/14/64/39/557146439.db2.gz JBTBBFNAVGIPQV-FQEVSTJZSA-N 1 2 438.532 3.210 40 0 IGABLO O=C(NCC[NH+]1CCOCC1)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1 ZINC000096154324 557178016 /nfs/dbraw/zinc/17/80/16/557178016.db2.gz GEXKESHKBMPEOA-UHFFFAOYSA-N 1 2 436.443 3.351 40 0 IGABLO CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000219249215 557232981 /nfs/dbraw/zinc/23/29/81/557232981.db2.gz XTQDXGJQXPGGLB-UHFFFAOYSA-N 1 2 426.904 3.494 40 0 IGABLO Cn1cc[nH+]c1CN1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000604383339 557237664 /nfs/dbraw/zinc/23/76/64/557237664.db2.gz XFCLCGVSTDZSPJ-JAXLGGSGSA-N 1 2 428.533 3.117 40 0 biogenic,in-vitro IGABLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc4cc(C)[nH]n4c(=O)c2C3)ccc1OC(F)F ZINC000100219533 557248687 /nfs/dbraw/zinc/24/86/87/557248687.db2.gz FIOMNLBIMCESKV-CABCVRRESA-N 1 2 430.455 3.485 40 0 IGABLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc4cc(C)[nH]n4c(=O)c2C3)ccc1OC(F)F ZINC000100219533 557248690 /nfs/dbraw/zinc/24/86/90/557248690.db2.gz FIOMNLBIMCESKV-CABCVRRESA-N 1 2 430.455 3.485 40 0 IGABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCO)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495977 557326194 /nfs/dbraw/zinc/32/61/94/557326194.db2.gz HFMAFDIBASCKPP-HXUWFJFHSA-N 1 2 442.564 3.004 40 0 IGABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCO)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495977 557326197 /nfs/dbraw/zinc/32/61/97/557326197.db2.gz HFMAFDIBASCKPP-HXUWFJFHSA-N 1 2 442.564 3.004 40 0 IGABLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1C1CC1 ZINC000223131537 557436420 /nfs/dbraw/zinc/43/64/20/557436420.db2.gz OEBQLCNMPHWARX-VXKWHMMOSA-N 1 2 425.602 3.140 40 0 IGABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1CC[NH+]1CCOCC1 ZINC000223135017 557437211 /nfs/dbraw/zinc/43/72/11/557437211.db2.gz UZNSZGWXKWGSTK-FCHUYYIVSA-N 1 2 425.602 3.303 40 0 IGABLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1C(C)C ZINC000223136581 557437611 /nfs/dbraw/zinc/43/76/11/557437611.db2.gz WCPOLSFLRFWWTG-YADHBBJMSA-N 1 2 427.618 3.386 40 0 IGABLO Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223150546 557439621 /nfs/dbraw/zinc/43/96/21/557439621.db2.gz KDCXVHNUOQKUKE-ZEQRLZLVSA-N 1 2 447.608 3.485 40 0 IGABLO CCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000020150780 557516311 /nfs/dbraw/zinc/51/63/11/557516311.db2.gz OKOQWIQBVSTCSX-KEXUJGGDSA-N 1 2 440.521 3.113 40 0 IGABLO CN(c1cccc(C(=O)NCCCn2cc[nH+]c2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224274160 557583922 /nfs/dbraw/zinc/58/39/22/557583922.db2.gz ALHXHPYDLFBLQQ-UHFFFAOYSA-N 1 2 432.933 3.182 40 0 IGABLO COC(=O)c1cc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)ccc1Cl ZINC000225778324 557776562 /nfs/dbraw/zinc/77/65/62/557776562.db2.gz HLUHZMXLWBLDIW-UHFFFAOYSA-N 1 2 433.961 3.445 40 0 IGABLO CCOC(=O)c1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c(C)c1 ZINC000225778517 557776845 /nfs/dbraw/zinc/77/68/45/557776845.db2.gz UKJNDEXCXVUAIT-UHFFFAOYSA-N 1 2 427.570 3.491 40 0 IGABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(OC)c(OC)c3OC)n2)cc1 ZINC000015674710 560095168 /nfs/dbraw/zinc/09/51/68/560095168.db2.gz MQVYTSROOGYLGC-AEFFLSMTSA-N 1 2 441.484 3.079 40 0 biogenic,in-vitro IGABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(OC)c(OC)c3OC)n2)cc1 ZINC000015674710 560095169 /nfs/dbraw/zinc/09/51/69/560095169.db2.gz MQVYTSROOGYLGC-AEFFLSMTSA-N 1 2 441.484 3.079 40 0 biogenic,in-vitro IGABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)c(OC)c1OC ZINC000015674936 560095821 /nfs/dbraw/zinc/09/58/21/560095821.db2.gz XOBTUJHZQJAZKI-SJORKVTESA-N 1 2 429.448 3.209 40 0 biogenic,in-vitro IGABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(F)cc3)no2)c(OC)c1OC ZINC000015674936 560095822 /nfs/dbraw/zinc/09/58/22/560095822.db2.gz XOBTUJHZQJAZKI-SJORKVTESA-N 1 2 429.448 3.209 40 0 biogenic,in-vitro IGABLO COc1cc2c(cc1CNc1cc(-c3c[nH]nc3[C@H]3CCN(C(C)=O)C3)cc[nH+]1)OCCO2 ZINC000257208788 568668981 /nfs/dbraw/zinc/66/89/81/568668981.db2.gz BNPBTJCWESQNKU-KRWDZBQOSA-N 1 2 449.511 3.199 40 0 IGABLO CNc1nc([C@@H]2CCN(C(=O)c3csc(Cc4ccccc4)n3)C2)nc2c1C[N@H+](C)CC2 ZINC000257213616 568671454 /nfs/dbraw/zinc/67/14/54/568671454.db2.gz CIIYSIJODFOYAX-QGZVFWFLSA-N 1 2 448.596 3.183 40 0 IGABLO CNc1nc([C@@H]2CCN(C(=O)c3csc(Cc4ccccc4)n3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257213616 568671455 /nfs/dbraw/zinc/67/14/55/568671455.db2.gz CIIYSIJODFOYAX-QGZVFWFLSA-N 1 2 448.596 3.183 40 0 IGABLO COc1c(C[N@@H+]2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3ccc(OC)cc3)c2)c(C)nn1C ZINC000257250800 568689080 /nfs/dbraw/zinc/68/90/80/568689080.db2.gz JOBONACYWIYOMU-DEOSSOPVSA-N 1 2 448.567 3.298 40 0 IGABLO COc1c(C[N@H+]2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3ccc(OC)cc3)c2)c(C)nn1C ZINC000257250800 568689082 /nfs/dbraw/zinc/68/90/82/568689082.db2.gz JOBONACYWIYOMU-DEOSSOPVSA-N 1 2 448.567 3.298 40 0 IGABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccco3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306125345 568763797 /nfs/dbraw/zinc/76/37/97/568763797.db2.gz CMYIVCUHXGOXDL-YADARESESA-N 1 2 433.512 3.111 40 0 IGABLO Cc1ccc(C(=O)N2C[C@H](c3cn(C(C)C)c[nH+]3)[C@@]3(CCN(Cc4ccncc4)C3=O)C2)o1 ZINC000306135141 568768950 /nfs/dbraw/zinc/76/89/50/568768950.db2.gz OJCOUFRTXACSIX-CJFMBICVSA-N 1 2 447.539 3.419 40 0 IGABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4cccc(C)c4)CC2)C[N@@H+](C)C3)cc1 ZINC000306142194 568772668 /nfs/dbraw/zinc/77/26/68/568772668.db2.gz WSJRTMIDDDGAHM-UHFFFAOYSA-N 1 2 431.540 3.339 40 0 IGABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4cccc(C)c4)CC2)C[N@H+](C)C3)cc1 ZINC000306142194 568772671 /nfs/dbraw/zinc/77/26/71/568772671.db2.gz WSJRTMIDDDGAHM-UHFFFAOYSA-N 1 2 431.540 3.339 40 0 IGABLO CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2C[N@H+](Cc3cccnc3N(C)C)CCO2)n1 ZINC000019692956 569228500 /nfs/dbraw/zinc/22/85/00/569228500.db2.gz YARHSPKMIBDTSK-NRFANRHFSA-N 1 2 436.535 3.383 40 0 IGABLO CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2C[N@@H+](Cc3cccnc3N(C)C)CCO2)n1 ZINC000019692956 569228501 /nfs/dbraw/zinc/22/85/01/569228501.db2.gz YARHSPKMIBDTSK-NRFANRHFSA-N 1 2 436.535 3.383 40 0 IGABLO COc1ccc(Cl)cc1[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261366444 569315901 /nfs/dbraw/zinc/31/59/01/569315901.db2.gz ZUIZQCQDUHIQLG-IBGZPJMESA-O 1 2 429.909 3.434 40 0 IGABLO Cc1ccc(C2=NN(CC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@H](c3ccco3)C2)cc1 ZINC000028616976 569414731 /nfs/dbraw/zinc/41/47/31/569414731.db2.gz ZBBCEUSXNQZYBJ-QFIPXVFZSA-N 1 2 429.524 3.483 40 0 IGABLO O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccccc1C[NH2+]CC2=O)NCc1ccccc1 ZINC000077267101 569586600 /nfs/dbraw/zinc/58/66/00/569586600.db2.gz QYAMCVAFQDGPFL-GMAHTHKFSA-N 1 2 435.568 3.120 40 0 IGABLO c1coc(CNc2nc(N3CCOCC3)nc(N3CCC(Cc4ccccc4)CC3)[nH+]2)c1 ZINC000008856740 132296411 /nfs/dbraw/zinc/29/64/11/132296411.db2.gz IGCXVNJRWIMRTK-UHFFFAOYSA-N 1 2 434.544 3.372 40 0 IGABLO c1coc(CNc2nc(N3CCC(Cc4ccccc4)CC3)nc(N3CCOCC3)[nH+]2)c1 ZINC000008856740 132296414 /nfs/dbraw/zinc/29/64/14/132296414.db2.gz IGCXVNJRWIMRTK-UHFFFAOYSA-N 1 2 434.544 3.372 40 0 IGABLO CCCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000012497365 521123281 /nfs/dbraw/zinc/12/32/81/521123281.db2.gz OXZUZPBRMZLICA-UGCAPWQASA-N 1 2 436.508 3.253 40 0 IGABLO COCCn1nnnc1[C@H](CC(C)C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035290738 522156332 /nfs/dbraw/zinc/15/63/32/522156332.db2.gz DZMFNCWAVFCTQP-SFHVURJKSA-N 1 2 426.487 3.248 40 0 IGABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3ccc(Br)cc3)C1=O)CC2 ZINC000022609323 523031582 /nfs/dbraw/zinc/03/15/82/523031582.db2.gz GSCMCNYQUINCCK-QGZVFWFLSA-N 1 2 445.313 3.157 40 0 IGABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3ccc(Br)cc3)C1=O)CC2 ZINC000022609323 523031592 /nfs/dbraw/zinc/03/15/92/523031592.db2.gz GSCMCNYQUINCCK-QGZVFWFLSA-N 1 2 445.313 3.157 40 0 IGABLO CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000408595840 555962883 /nfs/dbraw/zinc/96/28/83/555962883.db2.gz VEIIWLHCGHIKFW-UHFFFAOYSA-N 1 2 430.574 3.067 40 0 IGABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)CC1 ZINC000014427232 556415954 /nfs/dbraw/zinc/41/59/54/556415954.db2.gz ICROKCGCZNHQNT-UHFFFAOYSA-N 1 2 428.341 3.182 40 0 IGABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)CC1 ZINC000014824917 556448503 /nfs/dbraw/zinc/44/85/03/556448503.db2.gz XSEAALSJVUCVKF-UHFFFAOYSA-N 1 2 428.341 3.182 40 0 IGABLO CC(C)c1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)cc1 ZINC000030750997 556502941 /nfs/dbraw/zinc/50/29/41/556502941.db2.gz CZMBTXKWPUWKIB-UHFFFAOYSA-N 1 2 426.542 3.078 40 0 IGABLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000030869503 556513098 /nfs/dbraw/zinc/51/30/98/556513098.db2.gz DMDQCMDLHJINJZ-UHFFFAOYSA-N 1 2 438.553 3.285 40 0 IGABLO CC1(C)CC2(CN1S(C)(=O)=O)CC[NH+](CC(=O)Nc1cccc(C(F)(F)F)c1)CC2 ZINC000257326133 556705229 /nfs/dbraw/zinc/70/52/29/556705229.db2.gz WVYSRTDBJJMEPQ-UHFFFAOYSA-N 1 2 447.523 3.170 40 0 IGABLO O=c1cc(C[NH+](Cc2ccc(F)cc2)Cc2ccc(F)cc2)nc(N2CCOCC2)[nH]1 ZINC000019333669 556737760 /nfs/dbraw/zinc/73/77/60/556737760.db2.gz FWVVMZQUMHDEAU-UHFFFAOYSA-N 1 2 426.467 3.087 40 0 IGABLO O=C(c1cccnc1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)CC1 ZINC000019337410 556738774 /nfs/dbraw/zinc/73/87/74/556738774.db2.gz XNNUROXEYJQCRN-UHFFFAOYSA-N 1 2 446.555 3.150 40 0 IGABLO O=C(c1cccnc1)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)CC1 ZINC000019337410 556738776 /nfs/dbraw/zinc/73/87/76/556738776.db2.gz XNNUROXEYJQCRN-UHFFFAOYSA-N 1 2 446.555 3.150 40 0 IGABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)C5CCCCC5)CC4)[nH]n3c(=O)c2C1 ZINC000019448131 556757187 /nfs/dbraw/zinc/75/71/87/556757187.db2.gz UYUSKJQYZIABPA-UHFFFAOYSA-N 1 2 425.577 3.488 40 0 IGABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)C5CCCCC5)CC4)[nH]n3c(=O)c2C1 ZINC000019448131 556757191 /nfs/dbraw/zinc/75/71/91/556757191.db2.gz UYUSKJQYZIABPA-UHFFFAOYSA-N 1 2 425.577 3.488 40 0 IGABLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000019451479 556762297 /nfs/dbraw/zinc/76/22/97/556762297.db2.gz ZLBGODOCYCOJAC-JOCHJYFZSA-N 1 2 432.561 3.141 40 0 IGABLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000019451479 556762300 /nfs/dbraw/zinc/76/23/00/556762300.db2.gz ZLBGODOCYCOJAC-JOCHJYFZSA-N 1 2 432.561 3.141 40 0 IGABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C3)C[C@H](C)O1 ZINC000019497594 556770410 /nfs/dbraw/zinc/77/04/10/556770410.db2.gz XTKNZSXINCWYTL-OKILXGFUSA-N 1 2 438.450 3.253 40 0 IGABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C3)C[C@H](C)O1 ZINC000019497594 556770413 /nfs/dbraw/zinc/77/04/13/556770413.db2.gz XTKNZSXINCWYTL-OKILXGFUSA-N 1 2 438.450 3.253 40 0 IGABLO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CC[NH+](Cc2cc(-c3cccnc3)nn2C)CC1 ZINC000019565386 556806255 /nfs/dbraw/zinc/80/62/55/556806255.db2.gz OPYQPOWVUYEYBV-UHFFFAOYSA-N 1 2 432.503 3.369 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(C)CC3)cc12 ZINC000006405728 556834184 /nfs/dbraw/zinc/83/41/84/556834184.db2.gz UUNPDEUOGZKVQG-XMSQKQJNSA-N 1 2 436.560 3.132 40 0 IGABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)ccc3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000006408874 556834798 /nfs/dbraw/zinc/83/47/98/556834798.db2.gz PSYUKLMMJOVIJZ-QHCPKHFHSA-N 1 2 444.539 3.455 40 0 IGABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1CCOC)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000008582541 556842091 /nfs/dbraw/zinc/84/20/91/556842091.db2.gz JIYHNVAVCDXSOQ-HSZRJFAPSA-N 1 2 446.555 3.389 40 0 IGABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1CCOC)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000008582541 556842094 /nfs/dbraw/zinc/84/20/94/556842094.db2.gz JIYHNVAVCDXSOQ-HSZRJFAPSA-N 1 2 446.555 3.389 40 0 IGABLO COc1cccc(CN2C(=O)CCc3c(C)nc([C@H]4CCC[N@H+](Cc5ncc[nH]5)C4)nc32)c1 ZINC000019741656 556884432 /nfs/dbraw/zinc/88/44/32/556884432.db2.gz JCVKUATUHBLLFO-IBGZPJMESA-N 1 2 446.555 3.376 40 0 IGABLO COc1cccc(CN2C(=O)CCc3c(C)nc([C@H]4CCC[N@@H+](Cc5ncc[nH]5)C4)nc32)c1 ZINC000019741656 556884437 /nfs/dbraw/zinc/88/44/37/556884437.db2.gz JCVKUATUHBLLFO-IBGZPJMESA-N 1 2 446.555 3.376 40 0 IGABLO COc1cccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN(Cc5[nH]cc[nH+]5)C4)nc32)c1 ZINC000019741656 556884440 /nfs/dbraw/zinc/88/44/40/556884440.db2.gz JCVKUATUHBLLFO-IBGZPJMESA-N 1 2 446.555 3.376 40 0 IGABLO COc1ccccc1CNc1[nH]nc2nc([C@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)ccc21 ZINC000019742883 556886829 /nfs/dbraw/zinc/88/68/29/556886829.db2.gz FTQGWAOUGWSCAL-IBGZPJMESA-N 1 2 448.571 3.380 40 0 IGABLO COc1ccccc1CNc1[nH]nc2nc([C@H]3CCC[N@@H+](CC(=O)N4CCCC4)C3)ccc21 ZINC000019742883 556886833 /nfs/dbraw/zinc/88/68/33/556886833.db2.gz FTQGWAOUGWSCAL-IBGZPJMESA-N 1 2 448.571 3.380 40 0 IGABLO COc1ccc(NC(=O)C[C@@H]2C(=O)N(CCCn3cc[nH+]c3)c3nc4ccccc4n32)cc1 ZINC000019819473 556922847 /nfs/dbraw/zinc/92/28/47/556922847.db2.gz FSARQRYFRAJNDM-OAQYLSRUSA-N 1 2 444.495 3.248 40 0 IGABLO COc1ccc(Cc2cc(C)nc([C@H]3CCC[N@H+](CC(=O)Nc4nonc4C)C3)c2)cc1 ZINC000072353921 556928690 /nfs/dbraw/zinc/92/86/90/556928690.db2.gz YFJPYWNRRRHMLJ-FQEVSTJZSA-N 1 2 435.528 3.499 40 0 IGABLO COc1ccc(Cc2cc(C)nc([C@H]3CCC[N@@H+](CC(=O)Nc4nonc4C)C3)c2)cc1 ZINC000072353921 556928692 /nfs/dbraw/zinc/92/86/92/556928692.db2.gz YFJPYWNRRRHMLJ-FQEVSTJZSA-N 1 2 435.528 3.499 40 0 IGABLO COC(=O)[C@@]1(CCSC)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000020150624 556991279 /nfs/dbraw/zinc/99/12/79/556991279.db2.gz FFKNXVBTRJYGAF-ZSTWQFLISA-N 1 2 438.549 3.110 40 0 IGABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)Cc3ccccn3)C[C@@]23CCCN(CC2CC2)C3=O)c1 ZINC000585107534 557038918 /nfs/dbraw/zinc/03/89/18/557038918.db2.gz ZGCLPRGVIWMWCQ-OFVILXPXSA-N 1 2 435.572 3.046 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006198305 557149716 /nfs/dbraw/zinc/14/97/16/557149716.db2.gz VSNXUSFVUJDKOD-DENIHFKCSA-N 1 2 436.560 3.077 40 0 IGABLO COc1cccc(C[N@@H+]2Cc3ccccc3[C@@]23CO[C@@H](C(=O)NCCc2ccncc2)C3)c1 ZINC000096143960 557171189 /nfs/dbraw/zinc/17/11/89/557171189.db2.gz XBLDZVJOJPZHBO-XNMGPUDCSA-N 1 2 443.547 3.449 40 0 IGABLO COc1cccc(C[N@H+]2Cc3ccccc3[C@@]23CO[C@@H](C(=O)NCCc2ccncc2)C3)c1 ZINC000096143960 557171194 /nfs/dbraw/zinc/17/11/94/557171194.db2.gz XBLDZVJOJPZHBO-XNMGPUDCSA-N 1 2 443.547 3.449 40 0 IGABLO COc1ccc([C@H]2[NH+]=C(NCc3ccc(Cl)cc3)Nc3nc(C)cc(=O)n32)cc1OC ZINC000009287562 557183204 /nfs/dbraw/zinc/18/32/04/557183204.db2.gz HKKNIEJNWPUHDR-FQEVSTJZSA-N 1 2 439.903 3.341 40 0 IGABLO O=C(C1CC1)N1CCc2nc3cc([C@H]4CCC[N@H+](C[C@H]5CC=CCC5)C4)[nH]n3c(=O)c2C1 ZINC000100233704 557250937 /nfs/dbraw/zinc/25/09/37/557250937.db2.gz LXFHKHJZCOTKIG-HKUYNNGSSA-N 1 2 435.572 3.265 40 0 IGABLO O=C(C1CC1)N1CCc2nc3cc([C@H]4CCC[N@@H+](C[C@H]5CC=CCC5)C4)[nH]n3c(=O)c2C1 ZINC000100233704 557250940 /nfs/dbraw/zinc/25/09/40/557250940.db2.gz LXFHKHJZCOTKIG-HKUYNNGSSA-N 1 2 435.572 3.265 40 0 IGABLO COc1ccc(Cn2nnnc2[C@H](c2ccccc2OC)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000057671102 557257009 /nfs/dbraw/zinc/25/70/09/557257009.db2.gz UMSGRGKOKJXRRL-NRFANRHFSA-N 1 2 436.516 3.075 40 0 IGABLO Cc1cc2cc(C[N@@H+](CCO)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498933 557328072 /nfs/dbraw/zinc/32/80/72/557328072.db2.gz IVJDXTDIZSESNO-QFIPXVFZSA-N 1 2 438.576 3.438 40 0 IGABLO Cc1cc2cc(C[N@H+](CCO)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498933 557328076 /nfs/dbraw/zinc/32/80/76/557328076.db2.gz IVJDXTDIZSESNO-QFIPXVFZSA-N 1 2 438.576 3.438 40 0 IGABLO Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000223150689 557439543 /nfs/dbraw/zinc/43/95/43/557439543.db2.gz VNVNOLVIIFMKBJ-RPWUZVMVSA-N 1 2 447.608 3.485 40 0 IGABLO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCn3cc[nH+]c3)cc2C)cc1 ZINC000224212484 557576053 /nfs/dbraw/zinc/57/60/53/557576053.db2.gz XNZXIOPIEABIRX-UHFFFAOYSA-N 1 2 426.542 3.145 40 0 IGABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1C(=O)c1ccc(F)cc1 ZINC000015676470 560095705 /nfs/dbraw/zinc/09/57/05/560095705.db2.gz YROUUYVUTUPKBO-IBGZPJMESA-N 1 2 427.863 3.464 40 0 biogenic,in-vitro IGABLO CC(C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000010013878 562978224 /nfs/dbraw/zinc/97/82/24/562978224.db2.gz JFFUEURZPBXQEG-JOCHJYFZSA-N 1 2 447.539 3.096 40 0 IGABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccccc1N1CCCC1)CC2 ZINC000257204996 568667639 /nfs/dbraw/zinc/66/76/39/568667639.db2.gz AXERAWJGCYIMOO-HXUWFJFHSA-N 1 2 434.588 3.013 40 0 IGABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccccc1N1CCCC1)CC2 ZINC000257204996 568667640 /nfs/dbraw/zinc/66/76/40/568667640.db2.gz AXERAWJGCYIMOO-HXUWFJFHSA-N 1 2 434.588 3.013 40 0 IGABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257233317 568680692 /nfs/dbraw/zinc/68/06/92/568680692.db2.gz GOSQYQQMRPLEOB-FQEVSTJZSA-N 1 2 428.496 3.319 40 0 IGABLO COc1ccccc1S(=O)(=O)N1CCO[C@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000257254265 568690304 /nfs/dbraw/zinc/69/03/04/568690304.db2.gz KCKHDRIDGIXSOM-FQEVSTJZSA-N 1 2 440.525 3.299 40 0 IGABLO O=C(NCC[NH+]1CCOCC1)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 ZINC000257331071 568725011 /nfs/dbraw/zinc/72/50/11/568725011.db2.gz XRGSLILPXIWPNS-UHFFFAOYSA-N 1 2 444.522 3.420 40 0 IGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cn(C(C)=O)c2ccccc12 ZINC000261366172 568733761 /nfs/dbraw/zinc/73/37/61/568733761.db2.gz XSIWRRJXICBWTJ-JOCHJYFZSA-O 1 2 446.512 3.387 40 0 IGABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@H+](Cc3scnc3C)C[C@@H]1S2(=O)=O ZINC000306128432 568765115 /nfs/dbraw/zinc/76/51/15/568765115.db2.gz HADVFUMKJWEVKY-XLIONFOSSA-N 1 2 427.551 3.277 40 0 IGABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@@H+](Cc3scnc3C)C[C@@H]1S2(=O)=O ZINC000306128432 568765116 /nfs/dbraw/zinc/76/51/16/568765116.db2.gz HADVFUMKJWEVKY-XLIONFOSSA-N 1 2 427.551 3.277 40 0 IGABLO CCC(CC)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5C[C@H]5C)CC4)[nH]n3c(=O)c2C1 ZINC000253592335 569208984 /nfs/dbraw/zinc/20/89/84/569208984.db2.gz VBSFJYDJMRYICQ-QAPCUYQASA-N 1 2 425.577 3.344 40 0 IGABLO CCC(CC)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5C[C@H]5C)CC4)[nH]n3c(=O)c2C1 ZINC000253592335 569208985 /nfs/dbraw/zinc/20/89/85/569208985.db2.gz VBSFJYDJMRYICQ-QAPCUYQASA-N 1 2 425.577 3.344 40 0 IGABLO COc1cccc2ccc(C[N@H+](C)Cc3cc(N(C)C)nc([C@@H]4CCCN4C(C)=O)n3)nc21 ZINC000019709815 569234942 /nfs/dbraw/zinc/23/49/42/569234942.db2.gz FUSRSABZXVIEJD-NRFANRHFSA-N 1 2 448.571 3.415 40 0 IGABLO COc1cccc2ccc(C[N@@H+](C)Cc3cc(N(C)C)nc([C@@H]4CCCN4C(C)=O)n3)nc21 ZINC000019709815 569234943 /nfs/dbraw/zinc/23/49/43/569234943.db2.gz FUSRSABZXVIEJD-NRFANRHFSA-N 1 2 448.571 3.415 40 0 IGABLO CC1=C[C@@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000030880029 291355012 /nfs/dbraw/zinc/35/50/12/291355012.db2.gz YJCNHKJGOMEMRR-HJOGWXRNSA-N 1 2 441.616 3.110 40 0 biogenic,in-vitro IGABLO Clc1ccc(Cn2ncc3c2nc[nH+]c3N2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC000003162704 132262031 /nfs/dbraw/zinc/26/20/31/132262031.db2.gz XJTMBDIHCMTRCE-UHFFFAOYSA-N 1 2 441.326 3.298 40 0 IGABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006444109 556087654 /nfs/dbraw/zinc/08/76/54/556087654.db2.gz MIIYUTPKHSREEQ-JOCHJYFZSA-N 1 2 430.512 3.065 40 0 IGABLO CS(=O)(=O)Nc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(Cl)c1 ZINC000030753529 556503798 /nfs/dbraw/zinc/50/37/98/556503798.db2.gz IOWJPHJKZPBFDQ-VMPITWQZSA-N 1 2 433.961 3.183 40 0 IGABLO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000257307645 556718014 /nfs/dbraw/zinc/71/80/14/556718014.db2.gz SZQMMPCUAAFQQQ-QFIPXVFZSA-N 1 2 449.530 3.344 40 0 IGABLO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CCC[C@H]1c1nnc(Cc2ccc(F)cc2)[nH]1 ZINC000257307645 556718017 /nfs/dbraw/zinc/71/80/17/556718017.db2.gz SZQMMPCUAAFQQQ-QFIPXVFZSA-N 1 2 449.530 3.344 40 0 IGABLO CC(=O)c1ccc(NC(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2C)cc1 ZINC000000923778 556751585 /nfs/dbraw/zinc/75/15/85/556751585.db2.gz NJXHYSKSNRZYBP-UHFFFAOYSA-N 1 2 434.525 3.410 40 0 IGABLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)[C@H](C)n1ncc2ccccc2c1=O ZINC000019451469 556762217 /nfs/dbraw/zinc/76/22/17/556762217.db2.gz DDUSSFJCUXVBTO-FDDCHVKYSA-N 1 2 436.531 3.466 40 0 IGABLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)[C@H](C)n1ncc2ccccc2c1=O ZINC000019451469 556762221 /nfs/dbraw/zinc/76/22/21/556762221.db2.gz DDUSSFJCUXVBTO-FDDCHVKYSA-N 1 2 436.531 3.466 40 0 IGABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)[C@H]5CC=CCC5)C4)nc3C2)cc1 ZINC000019555621 556798813 /nfs/dbraw/zinc/79/88/13/556798813.db2.gz TXCSJADYHKULRI-PMACEKPBSA-N 1 2 448.567 3.421 40 0 IGABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)[C@H]5CC=CCC5)C4)nc3C2)cc1 ZINC000019555621 556798816 /nfs/dbraw/zinc/79/88/16/556798816.db2.gz TXCSJADYHKULRI-PMACEKPBSA-N 1 2 448.567 3.421 40 0 IGABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000006282944 556831287 /nfs/dbraw/zinc/83/12/87/556831287.db2.gz KTZUBIJWQRGCBQ-JOCHJYFZSA-N 1 2 430.512 3.147 40 0 IGABLO COc1cccc(Cc2cc(C)nc(C3CC[NH+](CC(=O)Nc4nonc4C)CC3)c2)c1 ZINC000019691677 556847154 /nfs/dbraw/zinc/84/71/54/556847154.db2.gz GQBKAQVYKNDTLF-UHFFFAOYSA-N 1 2 435.528 3.499 40 0 IGABLO Cc1nnc2n1C[C@H](c1cccc(C(=O)N3CC[NH+](CCOc4ccccc4)CC3)c1)CC2 ZINC000019698215 556856180 /nfs/dbraw/zinc/85/61/80/556856180.db2.gz RQVXAWLUSXGQAF-HSZRJFAPSA-N 1 2 445.567 3.153 40 0 IGABLO Cc1nnc2n1C[C@@H](c1cccc(C(=O)N3CC[NH+](CCOc4ccccc4)CC3)c1)CC2 ZINC000019698216 556856293 /nfs/dbraw/zinc/85/62/93/556856293.db2.gz RQVXAWLUSXGQAF-QHCPKHFHSA-N 1 2 445.567 3.153 40 0 IGABLO CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(CN(C)c3cc(C)[nH+]c(-c4ccccc4)n3)cc2)C1 ZINC000019699230 556858622 /nfs/dbraw/zinc/85/86/22/556858622.db2.gz AWJARNOHFCUIRV-PKTZIBPZSA-N 1 2 443.551 3.136 40 0 IGABLO Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019708192 556868362 /nfs/dbraw/zinc/86/83/62/556868362.db2.gz ZISQEXNTUVJBNY-JOCHJYFZSA-N 1 2 431.540 3.236 40 0 IGABLO Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@H]1c1ccc(C(=O)N2CC[NH+](C)CC2)cn1 ZINC000019708191 556868423 /nfs/dbraw/zinc/86/84/23/556868423.db2.gz ZISQEXNTUVJBNY-QFIPXVFZSA-N 1 2 431.540 3.236 40 0 IGABLO O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019937722 556951745 /nfs/dbraw/zinc/95/17/45/556951745.db2.gz PKWCEDZXDAKYNY-QPJJXVBHSA-N 1 2 448.954 3.490 40 0 IGABLO Cc1nc(CN2CC[C@@]3(CN(C(=O)C4(F)CC4)C[C@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000585106433 557039821 /nfs/dbraw/zinc/03/98/21/557039821.db2.gz GMSGKLFHHDTAIZ-UWJYYQICSA-N 1 2 445.564 3.076 40 0 IGABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006148956 557146351 /nfs/dbraw/zinc/14/63/51/557146351.db2.gz PZZWKVYSDXGKJP-QHCPKHFHSA-N 1 2 444.539 3.393 40 0 IGABLO COc1cccc(C[N@@H+]2Cc3ccccc3[C@]23CO[C@@H](C(=O)NCCc2ccncc2)C3)c1 ZINC000096143959 557171386 /nfs/dbraw/zinc/17/13/86/557171386.db2.gz XBLDZVJOJPZHBO-VPUSJEBWSA-N 1 2 443.547 3.449 40 0 IGABLO COc1cccc(C[N@H+]2Cc3ccccc3[C@]23CO[C@@H](C(=O)NCCc2ccncc2)C3)c1 ZINC000096143959 557171390 /nfs/dbraw/zinc/17/13/90/557171390.db2.gz XBLDZVJOJPZHBO-VPUSJEBWSA-N 1 2 443.547 3.449 40 0 IGABLO CCCC(=O)N1CCc2nc3cc(C4CC[NH+](Cc5ccccc5)CC4)[nH]n3c(=O)c2C1 ZINC000100243047 557255067 /nfs/dbraw/zinc/25/50/67/557255067.db2.gz KPIBPNXMZFTBGS-UHFFFAOYSA-N 1 2 433.556 3.499 40 0 IGABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500763 557324393 /nfs/dbraw/zinc/32/43/93/557324393.db2.gz UZRLICOWHPYRDA-FQEVSTJZSA-N 1 2 442.564 3.004 40 0 IGABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500763 557324395 /nfs/dbraw/zinc/32/43/95/557324395.db2.gz UZRLICOWHPYRDA-FQEVSTJZSA-N 1 2 442.564 3.004 40 0 IGABLO Clc1ccccc1[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](Cc2ccco2)CC1 ZINC000020141659 557515874 /nfs/dbraw/zinc/51/58/74/557515874.db2.gz GXTQAAKFDCZZOW-OAQYLSRUSA-N 1 2 438.919 3.468 40 0 IGABLO O=C(c1ccc(N2CCCCS2(=O)=O)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000224381405 557599581 /nfs/dbraw/zinc/59/95/81/557599581.db2.gz RVHRZMAOFWMVCF-RMKNXTFCSA-N 1 2 439.581 3.088 40 0 IGABLO O=C(c1cc2cc(Cl)ccc2oc1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000226041972 557802100 /nfs/dbraw/zinc/80/21/00/557802100.db2.gz OCOAIEJGBQPPII-UHFFFAOYSA-N 1 2 426.856 3.133 40 0 IGABLO CC(=O)N1CCC(Cc2ccccc2)(C(=O)N2CCC[C@](C)(c3cc(N)nc(C)[nH+]3)C2)CC1 ZINC000257267187 568696502 /nfs/dbraw/zinc/69/65/02/568696502.db2.gz MGGYDJHVGDCXNG-VWLOTQADSA-N 1 2 449.599 3.119 40 0 IGABLO CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1Oc1ccccc1 ZINC000257323578 568721660 /nfs/dbraw/zinc/72/16/60/568721660.db2.gz WKYUXPHQEXIQLV-UPVQGACJSA-N 1 2 446.551 3.228 40 0 IGABLO CN(C)c1cc([C@@H]2CCCN(C(=O)c3cccc(N4CCCCS4(=O)=O)c3)C2)cc[nH+]1 ZINC000257323830 568721668 /nfs/dbraw/zinc/72/16/68/568721668.db2.gz WLZQVOAKIZNIHW-HXUWFJFHSA-N 1 2 442.585 3.097 40 0 IGABLO CC(C)(C[NH+]1CCOCC1)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257338518 568728003 /nfs/dbraw/zinc/72/80/03/568728003.db2.gz YXULIHRLSKVRDC-UHFFFAOYSA-N 1 2 437.584 3.315 40 0 IGABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cc(OC)ccc1OC ZINC000261364115 568733523 /nfs/dbraw/zinc/73/35/23/568733523.db2.gz JIWVVOSTVPLHSA-OAQYLSRUSA-O 1 2 439.517 3.179 40 0 IGABLO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)Oc2ncccc2S(=O)(=O)N3Cc2ccccc2)s1 ZINC000306124797 568763494 /nfs/dbraw/zinc/76/34/94/568763494.db2.gz BZUJJXVDKUIKCS-UXHICEINSA-N 1 2 441.578 3.288 40 0 IGABLO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)Oc2ncccc2S(=O)(=O)N3Cc2ccccc2)s1 ZINC000306124797 568763496 /nfs/dbraw/zinc/76/34/96/568763496.db2.gz BZUJJXVDKUIKCS-UXHICEINSA-N 1 2 441.578 3.288 40 0 IGABLO C[C@@H](CO)Nc1nc(NCCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328969419 568808039 /nfs/dbraw/zinc/80/80/39/568808039.db2.gz DDUCQBWTWQJFMH-HNNXBMFYSA-N 1 2 432.446 3.333 40 0 IGABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000231643849 569186151 /nfs/dbraw/zinc/18/61/51/569186151.db2.gz VOLZWKVHVWQOJR-IDVKNYFZSA-N 1 2 430.501 3.439 40 0 IGABLO CCCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245229618 569205250 /nfs/dbraw/zinc/20/52/50/569205250.db2.gz BZTWKTRXVDPWHM-HULNYRCFSA-N 1 2 436.508 3.334 40 0 IGABLO CC(C)Oc1ccccc1C[N@@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692716 569228141 /nfs/dbraw/zinc/22/81/41/569228141.db2.gz BVPDSVAWVJWUSJ-JOCHJYFZSA-N 1 2 434.544 3.360 40 0 IGABLO CC(C)Oc1ccccc1C[N@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692716 569228142 /nfs/dbraw/zinc/22/81/42/569228142.db2.gz BVPDSVAWVJWUSJ-JOCHJYFZSA-N 1 2 434.544 3.360 40 0 IGABLO Cc1cc2[nH]c(CCC(=O)N3CCC(c4ccc(C(=O)N(C)C)c(N)n4)CC3)[nH+]c2cc1C ZINC000019766019 569239198 /nfs/dbraw/zinc/23/91/98/569239198.db2.gz BFEXAAQPFMBMNM-UHFFFAOYSA-N 1 2 448.571 3.198 40 0 IGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(OC(C)=O)c1 ZINC000261364848 569315743 /nfs/dbraw/zinc/31/57/43/569315743.db2.gz OCXBOAHIBYGTIX-OAQYLSRUSA-O 1 2 437.501 3.087 40 0 IGABLO Cc1ccc(C2=NN(CC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000028616974 569414818 /nfs/dbraw/zinc/41/48/18/569414818.db2.gz ZBBCEUSXNQZYBJ-JOCHJYFZSA-N 1 2 429.524 3.483 40 0 IGABLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1nnc(Cc2ccc(F)cc2)o1 ZINC000058137036 569587233 /nfs/dbraw/zinc/58/72/33/569587233.db2.gz RYONWDGQEMAKJX-UHFFFAOYSA-N 1 2 443.910 3.005 40 0 IGABLO CC(C)(C)n1nnnc1[C@@H](c1ccccn1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000022584630 519184867 /nfs/dbraw/zinc/18/48/67/519184867.db2.gz FCTPBEUXUBBISV-HXUWFJFHSA-N 1 2 425.968 3.384 40 0 IGABLO COc1cc(CNC(=O)C2CCN(c3[nH+]c4ccccc4n3C)CC2)cc(OC)c1OC ZINC000012116338 522409338 /nfs/dbraw/zinc/40/93/38/522409338.db2.gz YJFZITJJRFKESU-UHFFFAOYSA-N 1 2 438.528 3.132 40 0 IGABLO COc1ccc2nc(NC(=O)C[NH+]3CCC(NC(=O)C4CCCCC4)CC3)sc2c1 ZINC000012644565 525673499 /nfs/dbraw/zinc/67/34/99/525673499.db2.gz DCDSSJCLMLQWGU-UHFFFAOYSA-N 1 2 430.574 3.404 40 0 IGABLO CC(C)n1c2ccccc2nc1N1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000001379876 555693078 /nfs/dbraw/zinc/69/30/78/555693078.db2.gz FXDXMAPESNIJRJ-UHFFFAOYSA-N 1 2 435.528 3.149 40 0 IGABLO C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NCCCn2cc[nH+]c2)cc1)c1ccccc1 ZINC000408598336 555956949 /nfs/dbraw/zinc/95/69/49/555956949.db2.gz ZEJWPGKZYLZKJM-IBGZPJMESA-N 1 2 440.569 3.062 40 0 IGABLO Cc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000006321083 556084838 /nfs/dbraw/zinc/08/48/38/556084838.db2.gz DGRKTYCQXQIGKH-OHEPNIRZSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000006321083 556084840 /nfs/dbraw/zinc/08/48/40/556084840.db2.gz DGRKTYCQXQIGKH-OHEPNIRZSA-N 1 2 436.560 3.132 40 0 IGABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)CC1 ZINC000037093226 556447192 /nfs/dbraw/zinc/44/71/92/556447192.db2.gz WIJWTZKEWCOSIG-UHFFFAOYSA-N 1 2 446.331 3.321 40 0 IGABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](CCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499072 556509589 /nfs/dbraw/zinc/50/95/89/556509589.db2.gz KDPLFODGMNQZRP-OAQYLSRUSA-N 1 2 440.592 3.468 40 0 IGABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](CCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499072 556509591 /nfs/dbraw/zinc/50/95/91/556509591.db2.gz KDPLFODGMNQZRP-OAQYLSRUSA-N 1 2 440.592 3.468 40 0 IGABLO CCCn1ncc2c1nc(C1CC1)cc2C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000036616872 556516567 /nfs/dbraw/zinc/51/65/67/556516567.db2.gz NESZSPIESYQMAS-UHFFFAOYSA-N 1 2 435.576 3.027 40 0 IGABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004847486 556823554 /nfs/dbraw/zinc/82/35/54/556823554.db2.gz DEAAXRUGXOEZST-FQEVSTJZSA-N 1 2 426.565 3.222 40 0 IGABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004847486 556823556 /nfs/dbraw/zinc/82/35/56/556823556.db2.gz DEAAXRUGXOEZST-FQEVSTJZSA-N 1 2 426.565 3.222 40 0 IGABLO Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(C)CC3)c(=O)[nH]c2cc1C ZINC000006321346 556832858 /nfs/dbraw/zinc/83/28/58/556832858.db2.gz KWMRSHASKDXDQL-DENIHFKCSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(C)CC3)cc12 ZINC000006322146 556833223 /nfs/dbraw/zinc/83/32/23/556833223.db2.gz UUNPDEUOGZKVQG-AVRDEDQJSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1nc([C@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)nc2c1CCCN2CC1CC1 ZINC000019707040 556866178 /nfs/dbraw/zinc/86/61/78/556866178.db2.gz PLICDNGSHOKRDR-KRWDZBQOSA-N 1 2 426.590 3.222 40 0 IGABLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)nc2c1CCCN2CC1CC1 ZINC000019707040 556866180 /nfs/dbraw/zinc/86/61/80/556866180.db2.gz PLICDNGSHOKRDR-KRWDZBQOSA-N 1 2 426.590 3.222 40 0 IGABLO C[NH+]1CCN(C(=O)c2ccc([C@@H]3CCCN3C(=O)C(C)(C)c3ccccc3F)nc2)CC1 ZINC000019708758 556870201 /nfs/dbraw/zinc/87/02/01/556870201.db2.gz VARWVVXKAMLIME-QFIPXVFZSA-N 1 2 438.547 3.250 40 0 IGABLO CNc1nc([C@H]2CCCCN2C(=O)CCN(C)c2ccccc2F)nc2c1C[N@H+](C)CC2 ZINC000019710374 556872788 /nfs/dbraw/zinc/87/27/88/556872788.db2.gz JFOVBYBIRRVFSX-OAQYLSRUSA-N 1 2 440.567 3.225 40 0 IGABLO CNc1nc([C@H]2CCCCN2C(=O)CCN(C)c2ccccc2F)nc2c1C[N@@H+](C)CC2 ZINC000019710374 556872790 /nfs/dbraw/zinc/87/27/90/556872790.db2.gz JFOVBYBIRRVFSX-OAQYLSRUSA-N 1 2 440.567 3.225 40 0 IGABLO CNc1nc([C@H]2CCCN(C(=O)C(C)(C)Oc3cccc(C)c3)C2)nc2c1C[N@H+](C)CC2 ZINC000019710480 556873355 /nfs/dbraw/zinc/87/33/55/556873355.db2.gz MTAHXLNZWCAFBW-SFHVURJKSA-N 1 2 437.588 3.378 40 0 IGABLO CNc1nc([C@H]2CCCN(C(=O)C(C)(C)Oc3cccc(C)c3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710480 556873357 /nfs/dbraw/zinc/87/33/57/556873357.db2.gz MTAHXLNZWCAFBW-SFHVURJKSA-N 1 2 437.588 3.378 40 0 IGABLO COc1cccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@H+](Cc5ncc[nH]5)C4)nc32)c1 ZINC000019741654 556884518 /nfs/dbraw/zinc/88/45/18/556884518.db2.gz JCVKUATUHBLLFO-LJQANCHMSA-N 1 2 446.555 3.376 40 0 IGABLO COc1cccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@@H+](Cc5ncc[nH]5)C4)nc32)c1 ZINC000019741654 556884522 /nfs/dbraw/zinc/88/45/22/556884522.db2.gz JCVKUATUHBLLFO-LJQANCHMSA-N 1 2 446.555 3.376 40 0 IGABLO COc1cccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN(Cc5[nH]cc[nH+]5)C4)nc32)c1 ZINC000019741654 556884525 /nfs/dbraw/zinc/88/45/25/556884525.db2.gz JCVKUATUHBLLFO-LJQANCHMSA-N 1 2 446.555 3.376 40 0 IGABLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000072353473 556926925 /nfs/dbraw/zinc/92/69/25/556926925.db2.gz QGIQVVNYVUVGPN-KRWDZBQOSA-N 1 2 426.546 3.437 40 0 IGABLO Cn1c2ccccc2n(Cc2cc(NCCc3ccc(C(F)(F)F)cc3)nc(N)[nH+]2)c1=O ZINC000072373302 556946157 /nfs/dbraw/zinc/94/61/57/556946157.db2.gz LTKYHCYJIXRFKY-UHFFFAOYSA-N 1 2 442.445 3.434 40 0 IGABLO COc1cccc([C@H]2NC3=[NH+]CN(Cc4cccnc4)CN3c3nc4ccccc4n32)c1 ZINC000019960490 556955287 /nfs/dbraw/zinc/95/52/87/556955287.db2.gz IZDDILMAERJDQU-QFIPXVFZSA-N 1 2 425.496 3.183 40 0 IGABLO COc1ccccc1NC(=O)C[NH+]1CCC2(CC1)CN(C(C)=O)Cc1cc(C)ccc1O2 ZINC000072394446 556965902 /nfs/dbraw/zinc/96/59/02/556965902.db2.gz PXYFBVCOYUUAFC-UHFFFAOYSA-N 1 2 437.540 3.218 40 0 IGABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000020150562 556991151 /nfs/dbraw/zinc/99/11/51/556991151.db2.gz VOLZWKVHVWQOJR-VDNWNZSNSA-N 1 2 430.501 3.439 40 0 IGABLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(nc4cc(C)[nH]n4c2=O)C3)ccc1OC(F)F ZINC000100219537 557248746 /nfs/dbraw/zinc/24/87/46/557248746.db2.gz FIOMNLBIMCESKV-LSDHHAIUSA-N 1 2 430.455 3.485 40 0 IGABLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(nc4cc(C)[nH]n4c2=O)C3)ccc1OC(F)F ZINC000100219537 557248749 /nfs/dbraw/zinc/24/87/49/557248749.db2.gz FIOMNLBIMCESKV-LSDHHAIUSA-N 1 2 430.455 3.485 40 0 IGABLO C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2Cl)CC1 ZINC000220009055 557276882 /nfs/dbraw/zinc/27/68/82/557276882.db2.gz BUDPOGJZNFPEKK-FQEVSTJZSA-N 1 2 447.988 3.084 40 0 IGABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019592444 557506187 /nfs/dbraw/zinc/50/61/87/557506187.db2.gz KSHIPPBAPXPXOS-UWHHFBIGSA-N 1 2 446.528 3.353 40 0 IGABLO CCC[C@]1(C(=O)OC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000020150781 557516307 /nfs/dbraw/zinc/51/63/07/557516307.db2.gz OKOQWIQBVSTCSX-KGYLXKDPSA-N 1 2 440.521 3.113 40 0 IGABLO CN(c1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224181966 557572204 /nfs/dbraw/zinc/57/22/04/557572204.db2.gz PODKWBLSAHWMNX-UHFFFAOYSA-N 1 2 432.933 3.182 40 0 IGABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1C(=O)COc1ccccc1 ZINC000015676480 560095723 /nfs/dbraw/zinc/09/57/23/560095723.db2.gz KKAPNIGDHLGRSZ-FQEVSTJZSA-N 1 2 439.899 3.090 40 0 biogenic,in-vitro IGABLO COc1ccccc1[C@H]1CN(C(=O)C2(C)CCN(C(=O)c3ccccc3)CC2)CC[N@@H+]1C ZINC000257221192 568675025 /nfs/dbraw/zinc/67/50/25/568675025.db2.gz DNXFJHPQRORLFS-JOCHJYFZSA-N 1 2 435.568 3.453 40 0 IGABLO COc1ccccc1[C@H]1CN(C(=O)C2(C)CCN(C(=O)c3ccccc3)CC2)CC[N@H+]1C ZINC000257221192 568675026 /nfs/dbraw/zinc/67/50/26/568675026.db2.gz DNXFJHPQRORLFS-JOCHJYFZSA-N 1 2 435.568 3.453 40 0 IGABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257233318 568680792 /nfs/dbraw/zinc/68/07/92/568680792.db2.gz GOSQYQQMRPLEOB-HXUWFJFHSA-N 1 2 428.496 3.319 40 0 IGABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000257245945 568686417 /nfs/dbraw/zinc/68/64/17/568686417.db2.gz IRUXYXMJAJJMJU-GOSISDBHSA-N 1 2 426.542 3.167 40 0 IGABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000257245945 568686420 /nfs/dbraw/zinc/68/64/20/568686420.db2.gz IRUXYXMJAJJMJU-GOSISDBHSA-N 1 2 426.542 3.167 40 0 IGABLO CC(C)c1[nH+]c2ccccc2n1CC(=O)N(C)C[C@]1(O)CCCN(c2ccc(F)cn2)C1 ZINC000257255657 568691146 /nfs/dbraw/zinc/69/11/46/568691146.db2.gz KIIUZJFSLBKMBR-XMMPIXPASA-N 1 2 439.535 3.184 40 0 IGABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@H]1Oc1cccc(F)c1 ZINC000257277740 568700976 /nfs/dbraw/zinc/70/09/76/568700976.db2.gz NZELAKNCGGPMPQ-RXVVDRJESA-N 1 2 433.480 3.417 40 0 IGABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@H]1Oc1cccc(F)c1 ZINC000257277740 568700978 /nfs/dbraw/zinc/70/09/78/568700978.db2.gz NZELAKNCGGPMPQ-RXVVDRJESA-N 1 2 433.480 3.417 40 0 IGABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257292364 568707917 /nfs/dbraw/zinc/70/79/17/568707917.db2.gz QLEANHVIYLDWTF-QFIPXVFZSA-N 1 2 434.968 3.260 40 0 IGABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 ZINC000257292364 568707918 /nfs/dbraw/zinc/70/79/18/568707918.db2.gz QLEANHVIYLDWTF-QFIPXVFZSA-N 1 2 434.968 3.260 40 0 IGABLO CCc1nc(-c2cncnc2[C@H]2CCN(C(=O)COc3cc(C)[nH+]c4ccccc43)C2)no1 ZINC000257294324 568708590 /nfs/dbraw/zinc/70/85/90/568708590.db2.gz QTPJTBGXLJYPGX-INIZCTEOSA-N 1 2 444.495 3.341 40 0 IGABLO CNc1nc([C@H]2CCN(C(=O)CCCc3ccc(F)c(C)c3)C2)nc2c1C[N@H+](C)CC2 ZINC000257307957 568714569 /nfs/dbraw/zinc/71/45/69/568714569.db2.gz TUWHBRVHUFTWOW-SFHVURJKSA-N 1 2 425.552 3.293 40 0 IGABLO CNc1nc([C@H]2CCN(C(=O)CCCc3ccc(F)c(C)c3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257307957 568714574 /nfs/dbraw/zinc/71/45/74/568714574.db2.gz TUWHBRVHUFTWOW-SFHVURJKSA-N 1 2 425.552 3.293 40 0 IGABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccccc1N1CCCCC1)CC2 ZINC000257312435 568716606 /nfs/dbraw/zinc/71/66/06/568716606.db2.gz UNYGZCGLYCBAOZ-NRFANRHFSA-N 1 2 448.615 3.403 40 0 IGABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccccc1N1CCCCC1)CC2 ZINC000257312435 568716608 /nfs/dbraw/zinc/71/66/08/568716608.db2.gz UNYGZCGLYCBAOZ-NRFANRHFSA-N 1 2 448.615 3.403 40 0 IGABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000261364720 568733546 /nfs/dbraw/zinc/73/35/46/568733546.db2.gz NCTQUTLKKISSGK-OAQYLSRUSA-O 1 2 437.501 3.281 40 0 IGABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@H+](Cc3scnc3C)C[C@H]1S2(=O)=O ZINC000306128433 568765146 /nfs/dbraw/zinc/76/51/46/568765146.db2.gz HADVFUMKJWEVKY-YLJYHZDGSA-N 1 2 427.551 3.277 40 0 IGABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@@H+](Cc3scnc3C)C[C@H]1S2(=O)=O ZINC000306128433 568765147 /nfs/dbraw/zinc/76/51/47/568765147.db2.gz HADVFUMKJWEVKY-YLJYHZDGSA-N 1 2 427.551 3.277 40 0 IGABLO Cc1[nH+]c2c(n1CC1CC1)CN(Cc1nccs1)CC21CCN(c2ncccn2)CC1 ZINC000306133949 568768269 /nfs/dbraw/zinc/76/82/69/568768269.db2.gz NADAPQXYMNCZAX-UHFFFAOYSA-N 1 2 435.601 3.402 40 0 IGABLO C[C@H](CO)Nc1nc(Nc2ccccc2I)cc(-c2ccccc2)[nH+]1 ZINC000328961556 568807814 /nfs/dbraw/zinc/80/78/14/568807814.db2.gz BDYAJBNICYOGNR-CYBMUJFWSA-N 1 2 446.292 3.128 40 0 IGABLO Cc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329062908 568810834 /nfs/dbraw/zinc/81/08/34/568810834.db2.gz XALHDHILESFARO-UHFFFAOYSA-N 1 2 429.933 3.392 40 0 IGABLO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000231461590 569185983 /nfs/dbraw/zinc/18/59/83/569185983.db2.gz XBQMDOKQIJSMPD-YBOAYWMSSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000231461590 569185985 /nfs/dbraw/zinc/18/59/85/569185985.db2.gz XBQMDOKQIJSMPD-YBOAYWMSSA-N 1 2 436.560 3.132 40 0 IGABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5[C@@H]6CCCC[C@@H]65)CC4)[nH]n3c(=O)c2C1 ZINC000248141526 569207348 /nfs/dbraw/zinc/20/73/48/569207348.db2.gz CDFRLPGUCGBTKT-CYGODWOOSA-N 1 2 437.588 3.344 40 0 IGABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5[C@@H]6CCCC[C@@H]65)CC4)[nH]n3c(=O)c2C1 ZINC000248141526 569207350 /nfs/dbraw/zinc/20/73/50/569207350.db2.gz CDFRLPGUCGBTKT-CYGODWOOSA-N 1 2 437.588 3.344 40 0 IGABLO COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000022928554 569217489 /nfs/dbraw/zinc/21/74/89/569217489.db2.gz RQFFDXWFTNEDLK-XMMPIXPASA-N 1 2 447.587 3.489 40 0 IGABLO Nc1ccc(-c2ccc([C@@H]3CN(C(=O)Cc4ccc5c(c4)OCCCO5)CCO3)nc2)c[nH+]1 ZINC000019692260 569227782 /nfs/dbraw/zinc/22/77/82/569227782.db2.gz NOYWLHWHHIZNPT-QHCPKHFHSA-N 1 2 446.507 3.030 40 0 IGABLO CN(C)c1ncc(-c2cncnc2)c([C@@H]2C[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)CCO2)n1 ZINC000019692978 569228446 /nfs/dbraw/zinc/22/84/46/569228446.db2.gz YAFKVNULAMZBBU-QFIPXVFZSA-N 1 2 446.555 3.287 40 0 IGABLO CN(C)c1ncc(-c2cncnc2)c([C@@H]2C[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)CCO2)n1 ZINC000019692978 569228448 /nfs/dbraw/zinc/22/84/48/569228448.db2.gz YAFKVNULAMZBBU-QFIPXVFZSA-N 1 2 446.555 3.287 40 0 IGABLO CC(C)[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000013505146 132348700 /nfs/dbraw/zinc/34/87/00/132348700.db2.gz GGVLBKOWBFPEPL-QFIPXVFZSA-N 1 2 438.507 3.109 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012469804 524058257 /nfs/dbraw/zinc/05/82/57/524058257.db2.gz NNVBDNAILXJBKX-GTCCEBARSA-N 1 2 436.560 3.077 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012469804 524058261 /nfs/dbraw/zinc/05/82/61/524058261.db2.gz NNVBDNAILXJBKX-GTCCEBARSA-N 1 2 436.560 3.077 40 0 IGABLO Cc1ccc(C)c(N(CCCC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)c1 ZINC000020451880 524118388 /nfs/dbraw/zinc/11/83/88/524118388.db2.gz CGTBAFPWECPQPB-UHFFFAOYSA-N 1 2 440.569 3.352 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@@H](C)C3)cc12 ZINC000012470276 524215373 /nfs/dbraw/zinc/21/53/73/524215373.db2.gz ZTJJKIRYHVYXKJ-FXCLAUTBSA-N 1 2 436.560 3.132 40 0 IGABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@@H](C)C3)cc12 ZINC000012470276 524215380 /nfs/dbraw/zinc/21/53/80/524215380.db2.gz ZTJJKIRYHVYXKJ-FXCLAUTBSA-N 1 2 436.560 3.132 40 0 IGABLO O=C(C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1)Nc1ccc(Br)cc1 ZINC000012644415 526728424 /nfs/dbraw/zinc/72/84/24/526728424.db2.gz MQSMDTLUYMLJKJ-UHFFFAOYSA-N 1 2 434.309 3.421 40 0 IGABLO O=C(NCCC[NH+]1CCOCC1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408635929 556014406 /nfs/dbraw/zinc/01/44/06/556014406.db2.gz JTTAHWDNLRLQCX-UHFFFAOYSA-N 1 2 425.916 3.281 40 0 IGABLO CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)[NH+]=C3N=CNN32)cc1OC ZINC000408703085 556107544 /nfs/dbraw/zinc/10/75/44/556107544.db2.gz DONHGXMPAWXVEG-OAQYLSRUSA-N 1 2 435.484 3.274 40 0 IGABLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)[C@H](O)[C@H]1O[C@@H](c2ccccc2)OC[C@H]1O ZINC000031771705 556526230 /nfs/dbraw/zinc/52/62/30/556526230.db2.gz XMZAIGUGIRWAQM-WKAQUBQDSA-N 1 2 447.531 3.094 40 0 IGABLO CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000038772253 556619169 /nfs/dbraw/zinc/61/91/69/556619169.db2.gz XCNFBJQIRHWPOW-HXUWFJFHSA-N 1 2 446.960 3.387 40 0 IGABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004848029 556823615 /nfs/dbraw/zinc/82/36/15/556823615.db2.gz FFIOWFMODYRIBO-HXUWFJFHSA-N 1 2 426.565 3.304 40 0 IGABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004848029 556823619 /nfs/dbraw/zinc/82/36/19/556823619.db2.gz FFIOWFMODYRIBO-HXUWFJFHSA-N 1 2 426.565 3.304 40 0 IGABLO Cc1nc(C2CC[NH+](CC(=O)Nc3nccs3)CC2)nc2c1CCCN2CC1CC1 ZINC000019706688 556865189 /nfs/dbraw/zinc/86/51/89/556865189.db2.gz QRXXBNWFDIMYJT-UHFFFAOYSA-N 1 2 426.590 3.222 40 0 IGABLO Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2ccc(C(=O)N3CC[NH+](C)CC3)cn2)cc1 ZINC000019708777 556870120 /nfs/dbraw/zinc/87/01/20/556870120.db2.gz FZROAMQZCCCGND-HSZRJFAPSA-N 1 2 434.584 3.419 40 0 IGABLO CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCC[N@@H+]2Cc2cccc(OC)c2OC)n1 ZINC000019709788 556871176 /nfs/dbraw/zinc/87/11/76/556871176.db2.gz PEALUSMSYROJHD-LJQANCHMSA-N 1 2 427.549 3.241 40 0 IGABLO CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCC[N@H+]2Cc2cccc(OC)c2OC)n1 ZINC000019709788 556871179 /nfs/dbraw/zinc/87/11/79/556871179.db2.gz PEALUSMSYROJHD-LJQANCHMSA-N 1 2 427.549 3.241 40 0 IGABLO O=C(COc1ccc(F)cc1)N1CCC(c2ccc3c(NCc4[nH]cc[nH+]4)n[nH]c3n2)CC1 ZINC000019745076 556891741 /nfs/dbraw/zinc/89/17/41/556891741.db2.gz AZZYDBHZVWETDL-UHFFFAOYSA-N 1 2 449.490 3.217 40 0 IGABLO CCn1c(C)[nH+]c2cc(NC(=O)Cn3cccc(C(=O)NC4CCCCC4)c3=O)ccc21 ZINC000019750728 556894830 /nfs/dbraw/zinc/89/48/30/556894830.db2.gz GWTULOJGANWEJP-UHFFFAOYSA-N 1 2 435.528 3.228 40 0 IGABLO COc1ccc2c(c1)C=C(C[N@@H+]1CCO[C@@H](c3cc(C(N)=O)c4ccccc4n3)C1)CO2 ZINC000019759763 556903494 /nfs/dbraw/zinc/90/34/94/556903494.db2.gz JZXLMVWLRKBAFM-XMMPIXPASA-N 1 2 431.492 3.192 40 0 IGABLO COc1ccc2c(c1)C=C(C[N@H+]1CCO[C@@H](c3cc(C(N)=O)c4ccccc4n3)C1)CO2 ZINC000019759763 556903498 /nfs/dbraw/zinc/90/34/98/556903498.db2.gz JZXLMVWLRKBAFM-XMMPIXPASA-N 1 2 431.492 3.192 40 0 IGABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 ZINC000019761976 556905879 /nfs/dbraw/zinc/90/58/79/556905879.db2.gz UZIMJESGQIKLSP-RUZDIDTESA-N 1 2 449.551 3.190 40 0 IGABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 ZINC000019761976 556905881 /nfs/dbraw/zinc/90/58/81/556905881.db2.gz UZIMJESGQIKLSP-RUZDIDTESA-N 1 2 449.551 3.190 40 0 IGABLO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN(C(=O)C[N@@H+](C)Cc3ccccc3F)C2)n1 ZINC000072353786 556928353 /nfs/dbraw/zinc/92/83/53/556928353.db2.gz WFUZCKZTUIAQGC-LJQANCHMSA-N 1 2 448.546 3.406 40 0 IGABLO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN(C(=O)C[N@H+](C)Cc3ccccc3F)C2)n1 ZINC000072353786 556928356 /nfs/dbraw/zinc/92/83/56/556928356.db2.gz WFUZCKZTUIAQGC-LJQANCHMSA-N 1 2 448.546 3.406 40 0 IGABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)Nc1cccc(Cl)c1Cl)CC(=O)N2 ZINC000020799980 557018417 /nfs/dbraw/zinc/01/84/17/557018417.db2.gz YUCDTCYGJHNGFW-JTQLQIEISA-N 1 2 435.315 3.420 40 0 IGABLO Cc1noc(C)c1C(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@@]2(C1)CCCN(CC1CC1)C2=O ZINC000585107342 557038265 /nfs/dbraw/zinc/03/82/65/557038265.db2.gz SZQHRBOKCKXVNH-DVECYGJZSA-N 1 2 439.560 3.327 40 0 IGABLO Cc1noc(C)c1C(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000585107344 557038300 /nfs/dbraw/zinc/03/83/00/557038300.db2.gz SZQHRBOKCKXVNH-NTKDMRAZSA-N 1 2 439.560 3.327 40 0 IGABLO COc1ccccc1-c1ccc(CC2(C(=O)NCC[NH+]3CCOCC3)CCOCC2)cc1 ZINC000585168845 557131016 /nfs/dbraw/zinc/13/10/16/557131016.db2.gz CPHNPQWQSXSARD-UHFFFAOYSA-N 1 2 438.568 3.150 40 0 IGABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCCC3)cc2c1 ZINC000006198285 557149665 /nfs/dbraw/zinc/14/96/65/557149665.db2.gz HHRSXTWDWSKPNM-SIKLNZKXSA-N 1 2 436.560 3.221 40 0 IGABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4cc(C)cc(C)c4)CCOCC3)CC[N@@H+]2C)c1 ZINC000585262084 557200552 /nfs/dbraw/zinc/20/05/52/557200552.db2.gz RTEXHSYGHAZUFJ-DEOSSOPVSA-N 1 2 449.595 3.227 40 0 IGABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4cc(C)cc(C)c4)CCOCC3)CC[N@H+]2C)c1 ZINC000585262084 557200559 /nfs/dbraw/zinc/20/05/59/557200559.db2.gz RTEXHSYGHAZUFJ-DEOSSOPVSA-N 1 2 449.595 3.227 40 0 IGABLO C[C@@]1(O)CC[N@H+](Cc2cncnc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000604383098 557237348 /nfs/dbraw/zinc/23/73/48/557237348.db2.gz IOIDLRRUXKXDLU-JAXLGGSGSA-N 1 2 426.517 3.174 40 0 biogenic,in-vitro IGABLO C[C@@]1(O)CC[N@@H+](Cc2cncnc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000604383098 557237350 /nfs/dbraw/zinc/23/73/50/557237350.db2.gz IOIDLRRUXKXDLU-JAXLGGSGSA-N 1 2 426.517 3.174 40 0 biogenic,in-vitro IGABLO CC[C@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](Cc2ccncc2)CC4)C1 ZINC000100233690 557251011 /nfs/dbraw/zinc/25/10/11/557251011.db2.gz NXDSENOAJOHQGS-PKOBYXMFSA-N 1 2 448.571 3.140 40 0 IGABLO CC[C@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](Cc2ccncc2)CC4)C1 ZINC000100233690 557251014 /nfs/dbraw/zinc/25/10/14/557251014.db2.gz NXDSENOAJOHQGS-PKOBYXMFSA-N 1 2 448.571 3.140 40 0 IGABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCCC3)c3nnnn3c2c1 ZINC000057675114 557253720 /nfs/dbraw/zinc/25/37/20/557253720.db2.gz VOYWJDXDEQDPDG-NRFANRHFSA-N 1 2 447.547 3.353 40 0 IGABLO CC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057671320 557257192 /nfs/dbraw/zinc/25/71/92/557257192.db2.gz SUEJUZAZWIZLHZ-HXUWFJFHSA-N 1 2 434.544 3.340 40 0 IGABLO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(Br)c1 ZINC000022931240 557274570 /nfs/dbraw/zinc/27/45/70/557274570.db2.gz OPSSXNHQOLCTHU-UHFFFAOYSA-N 1 2 446.345 3.243 40 0 IGABLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1C1CC1 ZINC000223131420 557436466 /nfs/dbraw/zinc/43/64/66/557436466.db2.gz OEBQLCNMPHWARX-YADHBBJMSA-N 1 2 425.602 3.140 40 0 IGABLO CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223179727 557442232 /nfs/dbraw/zinc/44/22/32/557442232.db2.gz UIMOZZUDVXMQEV-YADHBBJMSA-N 1 2 427.618 3.215 40 0 IGABLO CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223178830 557442249 /nfs/dbraw/zinc/44/22/49/557442249.db2.gz ZGHKRVJYMSVANA-SFTDATJTSA-N 1 2 427.618 3.333 40 0 IGABLO CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223662232 557499022 /nfs/dbraw/zinc/49/90/22/557499022.db2.gz TUOOIGSRGYNUSF-PKTZIBPZSA-N 1 2 449.580 3.474 40 0 IGABLO Cc1cccc(-c2noc(CCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)c1 ZINC000225814454 557780241 /nfs/dbraw/zinc/78/02/41/557780241.db2.gz OCEUOPZXKLWDRE-UHFFFAOYSA-N 1 2 434.496 3.051 40 0 IGABLO CN(C(=O)CCCn1c2ccccc2nc1C(F)(F)F)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257236279 568681896 /nfs/dbraw/zinc/68/18/96/568681896.db2.gz HBLNJUMIZKLUSQ-ZHALLVOQSA-N 1 2 435.450 3.255 40 0 IGABLO COc1cccc(OC)c1C(=O)N1CCO[C@H](c2cc(-c3ccc(N)[nH+]c3)cc(C)n2)C1 ZINC000257338288 568728043 /nfs/dbraw/zinc/72/80/43/568728043.db2.gz YWTBOGHXEASCOX-NRFANRHFSA-N 1 2 434.496 3.265 40 0 IGABLO Cc1nc(CN2CC[C@]3(CN(C(=O)CC4CC4)C[C@@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306124422 568763211 /nfs/dbraw/zinc/76/32/11/568763211.db2.gz BPMHBERLCICYIO-AUSIDOKSSA-N 1 2 441.601 3.374 40 0 IGABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccoc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306127239 568764683 /nfs/dbraw/zinc/76/46/83/568764683.db2.gz FSWQHKQMRPNBIA-GBXCKJPGSA-N 1 2 433.512 3.111 40 0 IGABLO Cc1[nH+]c2c(n1C(C)C)CN(C(=O)c1cc(C)ccn1)CC21CCN(c2ncccn2)CC1 ZINC000306131468 568766743 /nfs/dbraw/zinc/76/67/43/568766743.db2.gz KFODWHUTXOWDQL-UHFFFAOYSA-N 1 2 445.571 3.460 40 0 IGABLO Cc1nc(CN2CC[C@]3(CN(c4ncccn4)C[C@@H]3c3cn(C(C)C)c[nH+]3)C2=O)cs1 ZINC000306132145 568767206 /nfs/dbraw/zinc/76/72/06/568767206.db2.gz KZZVLXFZUHOPNF-XMSQKQJNSA-N 1 2 437.573 3.042 40 0 IGABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)cc(C)c3[nH]c2=O)[NH+]2CCCC2)cc1 ZINC000006301178 568904673 /nfs/dbraw/zinc/90/46/73/568904673.db2.gz WLWKHZKRDXZAKM-HSZRJFAPSA-N 1 2 444.539 3.374 40 0 IGABLO COC(=O)[C@]1(CCSC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245229756 569205290 /nfs/dbraw/zinc/20/52/90/569205290.db2.gz FFKNXVBTRJYGAF-PWSZPPJVSA-N 1 2 438.549 3.110 40 0 IGABLO O=C(C1CC1)N1CCc2nc3cc([C@H]4CCC[N@H+](C[C@@H]5CC=CCC5)C4)[nH]n3c(=O)c2C1 ZINC000247713760 569206070 /nfs/dbraw/zinc/20/60/70/569206070.db2.gz LXFHKHJZCOTKIG-MJGOQNOKSA-N 1 2 435.572 3.265 40 0 IGABLO O=C(C1CC1)N1CCc2nc3cc([C@H]4CCC[N@@H+](C[C@@H]5CC=CCC5)C4)[nH]n3c(=O)c2C1 ZINC000247713760 569206072 /nfs/dbraw/zinc/20/60/72/569206072.db2.gz LXFHKHJZCOTKIG-MJGOQNOKSA-N 1 2 435.572 3.265 40 0 IGABLO Cc1nn2c(nccc2[C@H]2CCN(C(=O)CC3CCCCC3)C2)c1C[NH+]1CCOCC1 ZINC000019707969 569234618 /nfs/dbraw/zinc/23/46/18/569234618.db2.gz CTHKKNXJMSUDIH-FQEVSTJZSA-N 1 2 425.577 3.156 40 0 IGABLO Cc1nc([C@H]2CC[N@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019738786 569236025 /nfs/dbraw/zinc/23/60/25/569236025.db2.gz SRDFGVIFYYINFU-FQEVSTJZSA-N 1 2 430.556 3.410 40 0 IGABLO Cc1nc([C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019738786 569236026 /nfs/dbraw/zinc/23/60/26/569236026.db2.gz SRDFGVIFYYINFU-FQEVSTJZSA-N 1 2 430.556 3.410 40 0 IGABLO CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CC[N@H+](CC(=O)Nc2nccs2)C1 ZINC000019739050 569236432 /nfs/dbraw/zinc/23/64/32/569236432.db2.gz BAJUAYMPLVTIGZ-JOCHJYFZSA-N 1 2 445.589 3.140 40 0 IGABLO CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CC[N@@H+](CC(=O)Nc2nccs2)C1 ZINC000019739050 569236433 /nfs/dbraw/zinc/23/64/33/569236433.db2.gz BAJUAYMPLVTIGZ-JOCHJYFZSA-N 1 2 445.589 3.140 40 0 IGABLO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1Cn1cccn1 ZINC000019764525 569238440 /nfs/dbraw/zinc/23/84/40/569238440.db2.gz MVMBOQVDKOOOAB-NRFANRHFSA-N 1 2 434.544 3.255 40 0 IGABLO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1Cn1cccn1 ZINC000019764525 569238441 /nfs/dbraw/zinc/23/84/41/569238441.db2.gz MVMBOQVDKOOOAB-NRFANRHFSA-N 1 2 434.544 3.255 40 0 IGABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CC[N@@H+]21 ZINC000253409164 291354324 /nfs/dbraw/zinc/35/43/24/291354324.db2.gz ZRTIZPCELZODOA-NRFANRHFSA-N 1 2 440.975 3.470 40 0 biogenic,in-vitro IGABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CC[N@H+]21 ZINC000253409164 291354327 /nfs/dbraw/zinc/35/43/27/291354327.db2.gz ZRTIZPCELZODOA-NRFANRHFSA-N 1 2 440.975 3.470 40 0 biogenic,in-vitro IGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000006283154 193895508 /nfs/dbraw/zinc/89/55/08/193895508.db2.gz CCVRAWPWGXLBRB-HXOBKFHXSA-N 1 2 444.539 3.393 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000006283154 193895504 /nfs/dbraw/zinc/89/55/04/193895504.db2.gz CCVRAWPWGXLBRB-HXOBKFHXSA-N 1 2 444.539 3.393 40 0 IGABLO CCCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000012497071 521256221 /nfs/dbraw/zinc/25/62/21/521256221.db2.gz BZTWKTRXVDPWHM-PDFGSZSQSA-N 1 2 436.508 3.334 40 0 IGABLO CCOC(=O)Nc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC ZINC000408585019 555935342 /nfs/dbraw/zinc/93/53/42/555935342.db2.gz AOWQNLRLWPRCDR-UHFFFAOYSA-N 1 2 447.557 3.160 40 0 IGABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2cccc(Cl)c2)cc1 ZINC000408621882 555990779 /nfs/dbraw/zinc/99/07/79/555990779.db2.gz PSMGSUGHMNGDFL-UHFFFAOYSA-N 1 2 446.960 3.247 40 0 IGABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)CC1 ZINC000037093224 556447177 /nfs/dbraw/zinc/44/71/77/556447177.db2.gz GXKSFWIMVDPTNP-UHFFFAOYSA-N 1 2 425.913 3.058 40 0 IGABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccco3)C3CCCC3)cc2c1 ZINC000013065590 556452293 /nfs/dbraw/zinc/45/22/93/556452293.db2.gz RONAIJJDWOMAKF-UHFFFAOYSA-N 1 2 448.527 3.499 40 0 IGABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccco3)C3CCCC3)cc2c1 ZINC000013065590 556452294 /nfs/dbraw/zinc/45/22/94/556452294.db2.gz RONAIJJDWOMAKF-UHFFFAOYSA-N 1 2 448.527 3.499 40 0 IGABLO CCCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169365525 556689217 /nfs/dbraw/zinc/68/92/17/556689217.db2.gz BZTWKTRXVDPWHM-YCFYUYSTSA-N 1 2 436.508 3.334 40 0 IGABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004848176 556824047 /nfs/dbraw/zinc/82/40/47/556824047.db2.gz FTBMKABFFUKRHN-FQEVSTJZSA-N 1 2 426.565 3.304 40 0 IGABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004848176 556824054 /nfs/dbraw/zinc/82/40/54/556824054.db2.gz FTBMKABFFUKRHN-FQEVSTJZSA-N 1 2 426.565 3.304 40 0 IGABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)cc2c1 ZINC000006282641 556831053 /nfs/dbraw/zinc/83/10/53/556831053.db2.gz RCLSPZZMWHMBOT-QFIPXVFZSA-N 1 2 448.502 3.286 40 0 IGABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CC[N@H+](Cc1cn(C)c3ccc(F)cc13)C2 ZINC000019707448 556867126 /nfs/dbraw/zinc/86/71/26/556867126.db2.gz FTVBUCLFVANFJM-JOCHJYFZSA-N 1 2 436.535 3.391 40 0 IGABLO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CC[N@@H+](Cc1cn(C)c3ccc(F)cc13)C2 ZINC000019707448 556867127 /nfs/dbraw/zinc/86/71/27/556867127.db2.gz FTVBUCLFVANFJM-JOCHJYFZSA-N 1 2 436.535 3.391 40 0 IGABLO Cc1nc(C2CC[NH+](Cc3ncc[nH]3)CC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019739311 556877252 /nfs/dbraw/zinc/87/72/52/556877252.db2.gz QTNCRFHZYFUODR-UHFFFAOYSA-N 1 2 430.556 3.410 40 0 IGABLO O=C(C[NH+]1CCC(c2ccc3c(NCc4ncc[nH]4)n[nH]c3n2)CC1)Nc1ccccc1F ZINC000019744910 556891476 /nfs/dbraw/zinc/89/14/76/556891476.db2.gz UZQYNAHVEQAYLS-UHFFFAOYSA-N 1 2 448.506 3.250 40 0 IGABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 ZINC000072334934 556907772 /nfs/dbraw/zinc/90/77/72/556907772.db2.gz KXKKMTABFFIQOD-KRWDZBQOSA-N 1 2 433.537 3.494 40 0 IGABLO CC(C)(C)c1ccc(OCC(=O)N2CCO[C@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C2)cc1 ZINC000072391971 556962745 /nfs/dbraw/zinc/96/27/45/556962745.db2.gz VEZLGJALWMQNGN-FQEVSTJZSA-N 1 2 435.528 3.330 40 0 IGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@@H+]1CCC[C@H](C)C1 ZINC000006149523 557146370 /nfs/dbraw/zinc/14/63/70/557146370.db2.gz CHGRYSUQIOMRRC-XOBRGWDASA-N 1 2 438.532 3.210 40 0 IGABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@H+]1CCC[C@H](C)C1 ZINC000006149523 557146375 /nfs/dbraw/zinc/14/63/75/557146375.db2.gz CHGRYSUQIOMRRC-XOBRGWDASA-N 1 2 438.532 3.210 40 0 IGABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCC3)cc2c1 ZINC000006197870 557149810 /nfs/dbraw/zinc/14/98/10/557149810.db2.gz UHCDADFUNHJPIA-NRFANRHFSA-N 1 2 436.560 3.201 40 0 IGABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCC3)cc2c1 ZINC000006197870 557149811 /nfs/dbraw/zinc/14/98/11/557149811.db2.gz UHCDADFUNHJPIA-NRFANRHFSA-N 1 2 436.560 3.201 40 0 IGABLO c1ccc([C@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022928606 557271863 /nfs/dbraw/zinc/27/18/63/557271863.db2.gz VOXYVLVXSNXUBE-XMMPIXPASA-N 1 2 446.555 3.424 40 0 IGABLO CC1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)CC1 ZINC000219996665 557276037 /nfs/dbraw/zinc/27/60/37/557276037.db2.gz IKPDQDDZCJRTDY-UHFFFAOYSA-N 1 2 441.597 3.065 40 0 IGABLO COc1ccc(-c2ncc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(C)n2)cc1 ZINC000223145194 557438773 /nfs/dbraw/zinc/43/87/73/557438773.db2.gz WBGAUGFFBAYLOK-UHFFFAOYSA-N 1 2 446.507 3.147 40 0 IGABLO CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1C ZINC000223179776 557442223 /nfs/dbraw/zinc/44/22/23/557442223.db2.gz UIMOZZUDVXMQEV-FCHUYYIVSA-N 1 2 427.618 3.215 40 0 IGABLO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(I)cc1 ZINC000016479351 557474280 /nfs/dbraw/zinc/47/42/80/557474280.db2.gz RITJODVHPDLHRB-UHFFFAOYSA-N 1 2 439.272 3.191 40 0 IGABLO Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000223477073 557476517 /nfs/dbraw/zinc/47/65/17/557476517.db2.gz DWTRZXQMAXWMCS-HXUWFJFHSA-N 1 2 443.613 3.180 40 0 IGABLO COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223696780 557503422 /nfs/dbraw/zinc/50/34/22/557503422.db2.gz JCXATMGBUDFFIJ-GOTSBHOMSA-N 1 2 449.580 3.474 40 0 IGABLO O=C(Cn1ccc(=O)c2ccc(Br)cc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225741273 557771341 /nfs/dbraw/zinc/77/13/41/557771341.db2.gz AALSTHLBDHTWBZ-UHFFFAOYSA-N 1 2 440.341 3.108 40 0 IGABLO Cc1cc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)ccc1N1CCCC1=O ZINC000225778788 557776908 /nfs/dbraw/zinc/77/69/08/557776908.db2.gz VILOZGKWLIGCMU-UHFFFAOYSA-N 1 2 438.597 3.441 40 0 IGABLO COc1ccc(C(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000015675962 560094843 /nfs/dbraw/zinc/09/48/43/560094843.db2.gz HRSWNDRIHGGYIS-FQEVSTJZSA-N 1 2 431.452 3.417 40 0 biogenic,in-vitro IGABLO COc1ccc(C(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000015675962 560094845 /nfs/dbraw/zinc/09/48/45/560094845.db2.gz HRSWNDRIHGGYIS-FQEVSTJZSA-N 1 2 431.452 3.417 40 0 biogenic,in-vitro IGABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)c(OC)c1OC ZINC000015674400 560231082 /nfs/dbraw/zinc/23/10/82/560231082.db2.gz VJGAOWZEIXXOKI-MSOLQXFVSA-N 1 2 425.485 3.379 40 0 biogenic,in-vitro IGABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)c(OC)c1OC ZINC000015674400 560231084 /nfs/dbraw/zinc/23/10/84/560231084.db2.gz VJGAOWZEIXXOKI-MSOLQXFVSA-N 1 2 425.485 3.379 40 0 biogenic,in-vitro IGABLO COc1cc2c(cc1CNc1cc(-c3c[nH]nc3[C@@H]3CCN(C(C)=O)C3)cc[nH+]1)OCCO2 ZINC000257208789 568669099 /nfs/dbraw/zinc/66/90/99/568669099.db2.gz BNPBTJCWESQNKU-QGZVFWFLSA-N 1 2 449.511 3.199 40 0 IGABLO CCc1[nH+]c2ccccc2n1CCC(=O)N(C)C[C@@]1(O)CCCN(c2ccc(F)cn2)C1 ZINC000257218719 568673667 /nfs/dbraw/zinc/67/36/67/568673667.db2.gz DEFGTXVGNQVBML-DEOSSOPVSA-N 1 2 439.535 3.013 40 0 IGABLO CCN1CC[N@H+](CC(=O)Nc2nccs2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257219465 568674057 /nfs/dbraw/zinc/67/40/57/568674057.db2.gz DGWUXCICNOBMFC-FQEVSTJZSA-N 1 2 449.580 3.167 40 0 IGABLO CCN1CC[N@@H+](CC(=O)Nc2nccs2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257219465 568674060 /nfs/dbraw/zinc/67/40/60/568674060.db2.gz DGWUXCICNOBMFC-FQEVSTJZSA-N 1 2 449.580 3.167 40 0 IGABLO CCN1CC[N@H+](CC(=O)Nc2nccs2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257219466 568674077 /nfs/dbraw/zinc/67/40/77/568674077.db2.gz DGWUXCICNOBMFC-HXUWFJFHSA-N 1 2 449.580 3.167 40 0 IGABLO CCN1CC[N@@H+](CC(=O)Nc2nccs2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257219466 568674081 /nfs/dbraw/zinc/67/40/81/568674081.db2.gz DGWUXCICNOBMFC-HXUWFJFHSA-N 1 2 449.580 3.167 40 0 IGABLO O=C(Nc1ccc2nccnc2c1)[C@H]1C[N@H+](Cc2cccc(Oc3ncccn3)c2)CCO1 ZINC000257296215 568709549 /nfs/dbraw/zinc/70/95/49/568709549.db2.gz RBTBTSAOCSDPQK-JOCHJYFZSA-N 1 2 442.479 3.052 40 0 IGABLO O=C(Nc1ccc2nccnc2c1)[C@H]1C[N@@H+](Cc2cccc(Oc3ncccn3)c2)CCO1 ZINC000257296215 568709551 /nfs/dbraw/zinc/70/95/51/568709551.db2.gz RBTBTSAOCSDPQK-JOCHJYFZSA-N 1 2 442.479 3.052 40 0 IGABLO Fc1cccc(Cc2cncc([C@H]3CCC[N@@H+]3Cc3ccnc(N4CCOCC4)n3)n2)c1 ZINC000257313596 568717144 /nfs/dbraw/zinc/71/71/44/568717144.db2.gz UTHXSVBRTBPHGK-HSZRJFAPSA-N 1 2 434.519 3.170 40 0 IGABLO Fc1cccc(Cc2cncc([C@H]3CCC[N@H+]3Cc3ccnc(N4CCOCC4)n3)n2)c1 ZINC000257313596 568717145 /nfs/dbraw/zinc/71/71/45/568717145.db2.gz UTHXSVBRTBPHGK-HSZRJFAPSA-N 1 2 434.519 3.170 40 0 IGABLO O=C(C[NH+]1Cc2ccccc2C1)N1CCO[C@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 ZINC000257320841 568720146 /nfs/dbraw/zinc/72/01/46/568720146.db2.gz VYUYBDROBPGTEU-QFIPXVFZSA-N 1 2 433.487 3.275 40 0 IGABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC)cc1OC ZINC000261362684 568733250 /nfs/dbraw/zinc/73/32/50/568733250.db2.gz DTQXRBQXEBIUFV-NRFANRHFSA-O 1 2 439.517 3.179 40 0 IGABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1ccc(C)o1 ZINC000261363785 568733447 /nfs/dbraw/zinc/73/34/47/568733447.db2.gz IFCNBOIQAXPKBE-QGZVFWFLSA-O 1 2 448.322 3.436 40 0 IGABLO Cc1[nH+]c2c(n1CC1CC1)CN(C(=O)c1ccco1)CC21CCN(c2ncccn2)CC1 ZINC000306123631 568762747 /nfs/dbraw/zinc/76/27/47/568762747.db2.gz ASMYMJLMQMRBCS-UHFFFAOYSA-N 1 2 432.528 3.179 40 0 IGABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccoc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306127242 568764667 /nfs/dbraw/zinc/76/46/67/568764667.db2.gz FSWQHKQMRPNBIA-YKSBVNFPSA-N 1 2 433.512 3.111 40 0 IGABLO CCn1cc(C[N@@H+]2CCN(CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306139185 568770947 /nfs/dbraw/zinc/77/09/47/568770947.db2.gz SRPFWEPHQXSKAW-HSZRJFAPSA-N 1 2 433.604 3.420 40 0 IGABLO CCn1cc(C[N@H+]2CCN(CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306139185 568770949 /nfs/dbraw/zinc/77/09/49/568770949.db2.gz SRPFWEPHQXSKAW-HSZRJFAPSA-N 1 2 433.604 3.420 40 0 IGABLO CCn1cc(CN2CC[N@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306139185 568770951 /nfs/dbraw/zinc/77/09/51/568770951.db2.gz SRPFWEPHQXSKAW-HSZRJFAPSA-N 1 2 433.604 3.420 40 0 IGABLO CCn1cc(CN2CC[N@@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306139185 568770954 /nfs/dbraw/zinc/77/09/54/568770954.db2.gz SRPFWEPHQXSKAW-HSZRJFAPSA-N 1 2 433.604 3.420 40 0 IGABLO CCn1cc(C[N@@H+]2CCN(CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306139186 568770993 /nfs/dbraw/zinc/77/09/93/568770993.db2.gz SRPFWEPHQXSKAW-QHCPKHFHSA-N 1 2 433.604 3.420 40 0 IGABLO CCn1cc(C[N@H+]2CCN(CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306139186 568770995 /nfs/dbraw/zinc/77/09/95/568770995.db2.gz SRPFWEPHQXSKAW-QHCPKHFHSA-N 1 2 433.604 3.420 40 0 IGABLO CCn1cc(CN2CC[N@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306139186 568770997 /nfs/dbraw/zinc/77/09/97/568770997.db2.gz SRPFWEPHQXSKAW-QHCPKHFHSA-N 1 2 433.604 3.420 40 0 IGABLO CCn1cc(CN2CC[N@@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306139186 568770999 /nfs/dbraw/zinc/77/09/99/568770999.db2.gz SRPFWEPHQXSKAW-QHCPKHFHSA-N 1 2 433.604 3.420 40 0 IGABLO Cn1cccc1C(=O)N1CC[N@H+](CC2CC2)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306144573 568773888 /nfs/dbraw/zinc/77/38/88/568773888.db2.gz ZJFRZTPFBVGJAM-JOCHJYFZSA-N 1 2 432.572 3.182 40 0 IGABLO Cn1cccc1C(=O)N1CC[N@@H+](CC2CC2)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306144573 568773890 /nfs/dbraw/zinc/77/38/90/568773890.db2.gz ZJFRZTPFBVGJAM-JOCHJYFZSA-N 1 2 432.572 3.182 40 0 IGABLO OCCCNc1nc(NCc2cccc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328995124 568808851 /nfs/dbraw/zinc/80/88/51/568808851.db2.gz JGDNSUTZYYGEFA-UHFFFAOYSA-N 1 2 436.409 3.432 40 0 IGABLO C[C@@H](CO)Nc1nc(NCc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328996733 568808865 /nfs/dbraw/zinc/80/88/65/568808865.db2.gz JMSUBUCYCTXNQW-ZDUSSCGKSA-N 1 2 436.409 3.430 40 0 IGABLO CCC[C@]1(C(=O)OC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000245230262 569205389 /nfs/dbraw/zinc/20/53/89/569205389.db2.gz OKOQWIQBVSTCSX-KCESLBEFSA-N 1 2 440.521 3.113 40 0 IGABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000245230634 569205465 /nfs/dbraw/zinc/20/54/65/569205465.db2.gz VOLZWKVHVWQOJR-FOUBCARRSA-N 1 2 430.501 3.439 40 0 IGABLO Cc1nc([C@@H]2CC[N@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CCc1ccccc1F ZINC000019738871 569236170 /nfs/dbraw/zinc/23/61/70/569236170.db2.gz ZYTHGXJWXVVWAG-GOSISDBHSA-N 1 2 434.519 3.159 40 0 IGABLO Cc1nc([C@@H]2CC[N@@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CCc1ccccc1F ZINC000019738871 569236171 /nfs/dbraw/zinc/23/61/71/569236171.db2.gz ZYTHGXJWXVVWAG-GOSISDBHSA-N 1 2 434.519 3.159 40 0 IGABLO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1Cn1cccn1 ZINC000019764523 569238528 /nfs/dbraw/zinc/23/85/28/569238528.db2.gz MVMBOQVDKOOOAB-OAQYLSRUSA-N 1 2 434.544 3.255 40 0 IGABLO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1Cn1cccn1 ZINC000019764523 569238530 /nfs/dbraw/zinc/23/85/30/569238530.db2.gz MVMBOQVDKOOOAB-OAQYLSRUSA-N 1 2 434.544 3.255 40 0 IGABLO