smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[NH+]2CCC3(CC2)Nc2ccccc2C2=[NH+]CCN23)cc(OC)c1OC ZINC000072327092 558933856 /nfs/dbraw/zinc/93/38/56/558933856.db2.gz PAQJYZAUPJSJMN-UHFFFAOYSA-N 2 2 422.529 3.192 40 0 HGABLP COc1ccc(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000328974372 568970616 /nfs/dbraw/zinc/97/06/16/568970616.db2.gz FGCGHZIJSFAVPU-UHFFFAOYSA-N 2 2 409.456 3.332 40 0 HGABLP C[NH+](C)CCNc1nc(-c2ccccn2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000072341933 558940081 /nfs/dbraw/zinc/94/00/81/558940081.db2.gz AARSWIXOXXBBSZ-UHFFFAOYSA-N 2 2 406.509 3.210 40 0 HGABLP C[NH+](C)CCNc1nc(-c2ccccn2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000072341933 558940083 /nfs/dbraw/zinc/94/00/83/558940083.db2.gz AARSWIXOXXBBSZ-UHFFFAOYSA-N 2 2 406.509 3.210 40 0 HGABLP C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@](O)(C[NH+]5CC5)CC[C@]34C)[C@@H]1CC[C@@]2(O)C[NH+]1CC1 ZINC000257345104 559014488 /nfs/dbraw/zinc/01/44/88/559014488.db2.gz KDZDNXAVYMXPKT-GGEJKPOYSA-N 2 2 402.623 3.123 40 0 HGABLP CC(C)n1c[nH+]c2c1[C@@H](C(=O)N1CC[NH+](C(C)C)CC1)N(Cc1ccccc1)CC2 ZINC000096037547 559091357 /nfs/dbraw/zinc/09/13/57/559091357.db2.gz XJTZJYYFGGDVBM-QHCPKHFHSA-N 2 2 409.578 3.116 40 0 HGABLP CCc1[nH]c(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(NCc4ccccc4)nc23)c(C)[nH+]1 ZINC000306123699 568886790 /nfs/dbraw/zinc/88/67/90/568886790.db2.gz AUBDOVJQCOONKV-XMMPIXPASA-N 2 2 418.545 3.357 40 0 HGABLP CCc1[nH]c(C[N@H+]2CC[C@@]3(C2)COCc2cnc(NCc4ccccc4)nc23)c(C)[nH+]1 ZINC000306123699 568886791 /nfs/dbraw/zinc/88/67/91/568886791.db2.gz AUBDOVJQCOONKV-XMMPIXPASA-N 2 2 418.545 3.357 40 0 HGABLP CCc1[nH]c(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NCc4ccccc4)nc23)c(C)[nH+]1 ZINC000306123698 568886827 /nfs/dbraw/zinc/88/68/27/568886827.db2.gz AUBDOVJQCOONKV-DEOSSOPVSA-N 2 2 418.545 3.357 40 0 HGABLP CCc1[nH]c(C[N@H+]2CC[C@]3(C2)COCc2cnc(NCc4ccccc4)nc23)c(C)[nH+]1 ZINC000306123698 568886828 /nfs/dbraw/zinc/88/68/28/568886828.db2.gz AUBDOVJQCOONKV-DEOSSOPVSA-N 2 2 418.545 3.357 40 0 HGABLP C[NH+](C)CCCN=C1Nc2ccccc2C(=[NH+]CCC[NH+](C)C)Nc2ccccc21 ZINC000016955983 569345121 /nfs/dbraw/zinc/34/51/21/569345121.db2.gz RIHBETQNEGKMAX-UHFFFAOYSA-N 3 2 406.578 3.239 40 0 HGABLP COc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000004093418 132271032 /nfs/dbraw/zinc/27/10/32/132271032.db2.gz YKNOGUMFLSMCFE-UHFFFAOYSA-N 2 2 422.573 3.442 40 0 HGABLP CCOc1cc(C[NH2+]CC[NH2+]CCO)cc(Br)c1OCc1ccccc1 ZINC000022075445 558462383 /nfs/dbraw/zinc/46/23/83/558462383.db2.gz HCOWOMROHMUBQX-UHFFFAOYSA-N 2 2 423.351 3.098 40 0 HGABLP CC(C)Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000019719105 558982894 /nfs/dbraw/zinc/98/28/94/558982894.db2.gz YXPXKUITHNZACQ-UHFFFAOYSA-N 2 2 405.546 3.364 40 0 HGABLP CC(C)Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000019719105 558982897 /nfs/dbraw/zinc/98/28/97/558982897.db2.gz YXPXKUITHNZACQ-UHFFFAOYSA-N 2 2 405.546 3.364 40 0 HGABLP CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](Cc1ccc(OC)cc1)CCC2 ZINC000096056046 559093731 /nfs/dbraw/zinc/09/37/31/559093731.db2.gz UKYCXAGOBVGMTD-RDPSFJRHSA-N 2 2 409.530 3.372 40 0 HGABLP CCOC(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](Cc1ccc(OC)cc1)CCC2 ZINC000096056046 559093732 /nfs/dbraw/zinc/09/37/32/559093732.db2.gz UKYCXAGOBVGMTD-RDPSFJRHSA-N 2 2 409.530 3.372 40 0 HGABLP O=C(CCCn1cc[nH+]c1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1 ZINC000257243239 568788243 /nfs/dbraw/zinc/78/82/43/568788243.db2.gz IFZZQLDTMZHMKK-LSQMVHIFSA-N 2 2 424.589 3.117 40 0 HGABLP Cc1c(Br)cccc1Nc1cc(C2CC2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000329058990 568974900 /nfs/dbraw/zinc/97/49/00/568974900.db2.gz WESSEZCUBZGZOI-UHFFFAOYSA-N 2 2 404.356 3.376 40 0 HGABLP Cc1nc2c(c(N3CCN(c4cccc[nH+]4)CC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000012183337 132355966 /nfs/dbraw/zinc/35/59/66/132355966.db2.gz DOMKFQJIQRJFKQ-UHFFFAOYSA-N 2 2 400.530 3.065 40 0 HGABLP Cc1nc2c(c(N3CCN(c4cccc[nH+]4)CC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000012183337 132355969 /nfs/dbraw/zinc/35/59/69/132355969.db2.gz DOMKFQJIQRJFKQ-UHFFFAOYSA-N 2 2 400.530 3.065 40 0 HGABLP Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000038831786 558817076 /nfs/dbraw/zinc/81/70/76/558817076.db2.gz ZIJQWEKWCIWKGF-UHFFFAOYSA-N 2 2 404.514 3.002 40 0 HGABLP Cc1cccc(Nc2cc(C)[nH+]c(C3CC[NH+](CCC(=O)N4CCOCC4)CC3)c2)[nH+]1 ZINC000257219506 568781873 /nfs/dbraw/zinc/78/18/73/568781873.db2.gz DHAJFSQBABGRKZ-UHFFFAOYSA-N 3 2 423.561 3.265 40 0 HGABLP COc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)[C@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000019079062 558838778 /nfs/dbraw/zinc/83/87/78/558838778.db2.gz XDNJWNOFZUCUIB-CVDCTZTESA-N 2 2 404.514 3.387 40 0 HGABLP Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@@H+](CC(=O)N3CCC(C)CC3)C2)[nH+]1 ZINC000072374862 558963071 /nfs/dbraw/zinc/96/30/71/558963071.db2.gz BDXCVYQBWJEIKI-IBGZPJMESA-N 2 2 408.550 3.362 40 0 HGABLP Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@H+](CC(=O)N3CCC(C)CC3)C2)[nH+]1 ZINC000072374862 558963073 /nfs/dbraw/zinc/96/30/73/558963073.db2.gz BDXCVYQBWJEIKI-IBGZPJMESA-N 2 2 408.550 3.362 40 0 HGABLP CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1ccncc1)CCC2 ZINC000096056085 559093973 /nfs/dbraw/zinc/09/39/73/559093973.db2.gz XHDYNLUDZZQYED-URXFXBBRSA-N 2 2 408.546 3.062 40 0 HGABLP CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1ccncc1)CCC2 ZINC000096056085 559093974 /nfs/dbraw/zinc/09/39/74/559093974.db2.gz XHDYNLUDZZQYED-URXFXBBRSA-N 2 2 408.546 3.062 40 0 HGABLP CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1ccncc1)CCC2 ZINC000096056085 559093976 /nfs/dbraw/zinc/09/39/76/559093976.db2.gz XHDYNLUDZZQYED-URXFXBBRSA-N 2 2 408.546 3.062 40 0 HGABLP CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1ccncc1)CCC2 ZINC000096056085 559093978 /nfs/dbraw/zinc/09/39/78/559093978.db2.gz XHDYNLUDZZQYED-URXFXBBRSA-N 2 2 408.546 3.062 40 0 HGABLP Cc1cc(Nc2ncccn2)cc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)[nH+]1 ZINC000257200758 568776422 /nfs/dbraw/zinc/77/64/22/568776422.db2.gz AEUHNRJRFZKOJR-MRXNPFEDSA-N 2 2 406.465 3.491 40 0 HGABLP Cc1cc(Nc2ncccn2)cc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)[nH+]1 ZINC000257200758 568776424 /nfs/dbraw/zinc/77/64/24/568776424.db2.gz AEUHNRJRFZKOJR-MRXNPFEDSA-N 2 2 406.465 3.491 40 0 HGABLP Cc1ccc(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)c(Br)c1 ZINC000329068742 568975665 /nfs/dbraw/zinc/97/56/65/568975665.db2.gz YSKRWDLXCLNUIV-UHFFFAOYSA-N 2 2 404.356 3.376 40 0 HGABLP Cc1nc(-c2ccccc2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC2CC[NH+](C)CC2)n1 ZINC000022936328 291242360 /nfs/dbraw/zinc/24/23/60/291242360.db2.gz MUJQNNQSCZBRDF-WWNPGLIZSA-N 2 2 405.590 3.314 40 0 biogenic,in-vitro HGABLP Cc1nc(-c2ccccc2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC2CC[NH+](C)CC2)n1 ZINC000022936328 291242362 /nfs/dbraw/zinc/24/23/62/291242362.db2.gz MUJQNNQSCZBRDF-WWNPGLIZSA-N 2 2 405.590 3.314 40 0 biogenic,in-vitro HGABLP COc1ccc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)o2)C[C@@H]2CCCO2)cc1 ZINC000012187524 558346587 /nfs/dbraw/zinc/34/65/87/558346587.db2.gz ZBQNCGQRMXBDFC-NRFANRHFSA-N 2 2 400.519 3.302 40 0 HGABLP COc1ccc(C[N@H+](Cc2ccc(C[NH+]3CCOCC3)o2)C[C@@H]2CCCO2)cc1 ZINC000012187524 558346589 /nfs/dbraw/zinc/34/65/89/558346589.db2.gz ZBQNCGQRMXBDFC-NRFANRHFSA-N 2 2 400.519 3.302 40 0 HGABLP Cc1[nH+]c2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1CN1CC[NH+](C)CC1 ZINC000019286755 558860582 /nfs/dbraw/zinc/86/05/82/558860582.db2.gz YHYSWUOXAFNJOJ-SFHVURJKSA-N 2 2 405.546 3.367 40 0 HGABLP OC1(c2ccccc2F)CC[NH+](Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000019348857 558874541 /nfs/dbraw/zinc/87/45/41/558874541.db2.gz IEJIRAABOITABH-UHFFFAOYSA-N 2 2 414.521 3.020 40 0 HGABLP C[NH+](C)CCNc1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000072340122 558938863 /nfs/dbraw/zinc/93/88/63/558938863.db2.gz ABFRHMKWOFHEMB-UHFFFAOYSA-N 2 2 406.509 3.210 40 0 HGABLP C[NH+](C)CCNc1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000072340122 558938866 /nfs/dbraw/zinc/93/88/66/558938866.db2.gz ABFRHMKWOFHEMB-UHFFFAOYSA-N 2 2 406.509 3.210 40 0 HGABLP CCc1[nH+]c2ccccc2n1C[C@H](C)C(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000019714025 558973972 /nfs/dbraw/zinc/97/39/72/558973972.db2.gz PTJZMRDDHJJZPZ-IBGZPJMESA-N 2 2 405.546 3.364 40 0 HGABLP CCc1[nH+]c2ccccc2n1C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000019714025 558973974 /nfs/dbraw/zinc/97/39/74/558973974.db2.gz PTJZMRDDHJJZPZ-IBGZPJMESA-N 2 2 405.546 3.364 40 0 HGABLP CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1ccccn1)CCC2 ZINC000096056083 559093957 /nfs/dbraw/zinc/09/39/57/559093957.db2.gz FZTCTXUCQKITSW-RDPSFJRHSA-N 2 2 408.546 3.062 40 0 HGABLP CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1ccccn1)CCC2 ZINC000096056083 559093959 /nfs/dbraw/zinc/09/39/59/559093959.db2.gz FZTCTXUCQKITSW-RDPSFJRHSA-N 2 2 408.546 3.062 40 0 HGABLP CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1ccccn1)CCC2 ZINC000096056083 559093961 /nfs/dbraw/zinc/09/39/61/559093961.db2.gz FZTCTXUCQKITSW-RDPSFJRHSA-N 2 2 408.546 3.062 40 0 HGABLP CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1ccccn1)CCC2 ZINC000096056083 559093963 /nfs/dbraw/zinc/09/39/63/559093963.db2.gz FZTCTXUCQKITSW-RDPSFJRHSA-N 2 2 408.546 3.062 40 0 HGABLP COc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccc(OCCF)cc3)C2)cc1 ZINC000585269633 559115336 /nfs/dbraw/zinc/11/53/36/559115336.db2.gz DRTISZXPVMHAJE-HSZRJFAPSA-N 2 2 402.510 3.112 40 0 HGABLP COc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccc(OCCF)cc3)C2)cc1 ZINC000585269633 559115338 /nfs/dbraw/zinc/11/53/38/559115338.db2.gz DRTISZXPVMHAJE-HSZRJFAPSA-N 2 2 402.510 3.112 40 0 HGABLP COc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccc(OCCF)cc3)C2)cc1 ZINC000585269633 559115340 /nfs/dbraw/zinc/11/53/40/559115340.db2.gz DRTISZXPVMHAJE-HSZRJFAPSA-N 2 2 402.510 3.112 40 0 HGABLP COc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccc(OCCF)cc3)C2)cc1 ZINC000585269633 559115342 /nfs/dbraw/zinc/11/53/42/559115342.db2.gz DRTISZXPVMHAJE-HSZRJFAPSA-N 2 2 402.510 3.112 40 0 HGABLP CNc1nc([C@@H]2CC[NH2+]C2)nc2c1CC[N@H+](Cc1cccc(OC3CCCC3)c1)C2 ZINC000257281028 568798812 /nfs/dbraw/zinc/79/88/12/568798812.db2.gz ONIXWTSULVMBQA-GOSISDBHSA-N 2 2 407.562 3.475 40 0 HGABLP CNc1nc([C@@H]2CC[NH2+]C2)nc2c1CC[N@@H+](Cc1cccc(OC3CCCC3)c1)C2 ZINC000257281028 568798814 /nfs/dbraw/zinc/79/88/14/568798814.db2.gz ONIXWTSULVMBQA-GOSISDBHSA-N 2 2 407.562 3.475 40 0 HGABLP Cc1[nH+]c2cc(NC(=O)C[N@H+]3C[C@@H]4[C@@H](Cc5ccnc(C)n5)CC[C@@H]4C3)ccc2n1C ZINC000257319846 568810182 /nfs/dbraw/zinc/81/01/82/568810182.db2.gz VUGYORQJBKCCGJ-DBXWQHBBSA-N 2 2 418.545 3.119 40 0 HGABLP Cc1[nH+]c2cc(NC(=O)C[N@@H+]3C[C@@H]4[C@@H](Cc5ccnc(C)n5)CC[C@@H]4C3)ccc2n1C ZINC000257319846 568810183 /nfs/dbraw/zinc/81/01/83/568810183.db2.gz VUGYORQJBKCCGJ-DBXWQHBBSA-N 2 2 418.545 3.119 40 0 HGABLP COCC(=O)N1Cc2c([nH+]c(C)n2C(C)C)C2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000306144090 568905333 /nfs/dbraw/zinc/90/53/33/568905333.db2.gz YVUXZWVFMGGFTC-UHFFFAOYSA-N 2 2 410.562 3.295 40 0 HGABLP C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)[nH+]1 ZINC000329061341 568975143 /nfs/dbraw/zinc/97/51/43/568975143.db2.gz WRURQZKVSHAUCE-UHFFFAOYSA-N 2 2 408.319 3.207 40 0 HGABLP C[NH+](C)CCNc1nc(N2CCc3cc(Br)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329030184 571304482 /nfs/dbraw/zinc/30/44/82/571304482.db2.gz QCBROKCVVHEDIA-UHFFFAOYSA-N 2 2 416.367 3.653 40 0 HGABLP Cn1cc[nH+]c1[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000019291296 558863876 /nfs/dbraw/zinc/86/38/76/558863876.db2.gz ATHZOPWLUAKWTM-GOTSBHOMSA-N 2 2 421.589 3.061 40 0 HGABLP Cn1cc[nH+]c1[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000019291296 558863880 /nfs/dbraw/zinc/86/38/80/558863880.db2.gz ATHZOPWLUAKWTM-GOTSBHOMSA-N 2 2 421.589 3.061 40 0 HGABLP C[C@H](CC(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1)n1cc[nH+]c1 ZINC000019455462 558891748 /nfs/dbraw/zinc/89/17/48/558891748.db2.gz MCXQUWZEPBJFBE-QGZVFWFLSA-N 2 2 424.524 3.155 40 0 HGABLP C[NH+](C)CCNc1nc(-c2cccnc2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000019582960 558937570 /nfs/dbraw/zinc/93/75/70/558937570.db2.gz OHRMJYPJZBYVPD-UHFFFAOYSA-N 2 2 406.509 3.210 40 0 HGABLP C[NH+](C)CCNc1nc(-c2cccnc2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000019582960 558937571 /nfs/dbraw/zinc/93/75/71/558937571.db2.gz OHRMJYPJZBYVPD-UHFFFAOYSA-N 2 2 406.509 3.210 40 0 HGABLP CN(CC[NH+](C)C)c1nc(-c2cccnc2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000019582485 558937608 /nfs/dbraw/zinc/93/76/08/558937608.db2.gz LRWAWWNSYNGDRU-UHFFFAOYSA-N 2 2 420.536 3.234 40 0 HGABLP CN(CC[NH+](C)C)c1nc(-c2cccnc2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000019582485 558937610 /nfs/dbraw/zinc/93/76/10/558937610.db2.gz LRWAWWNSYNGDRU-UHFFFAOYSA-N 2 2 420.536 3.234 40 0 HGABLP C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000585271374 559116759 /nfs/dbraw/zinc/11/67/59/559116759.db2.gz XFXSDAAPODCDQU-XMMPIXPASA-N 2 2 404.514 3.129 40 0 HGABLP C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000585271374 559116760 /nfs/dbraw/zinc/11/67/60/559116760.db2.gz XFXSDAAPODCDQU-XMMPIXPASA-N 2 2 404.514 3.129 40 0 HGABLP Cn1c(C[NH+]2CCSCC2)cc(=O)c(O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000095479252 560558247 /nfs/dbraw/zinc/55/82/47/560558247.db2.gz PCEHZJKJJZXXTI-JTSKRJEESA-N 2 2 405.608 3.040 40 0 HGABLP Cn1c(C[NH+]2CCSCC2)cc(=O)c(O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000095479252 560558248 /nfs/dbraw/zinc/55/82/48/560558248.db2.gz PCEHZJKJJZXXTI-JTSKRJEESA-N 2 2 405.608 3.040 40 0 HGABLP O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@@H](Cc2ccc3[nH+]ccn3c2)C1 ZINC000257275024 568797166 /nfs/dbraw/zinc/79/71/66/568797166.db2.gz NNQWZXUQZULSPF-NRFANRHFSA-N 2 2 418.541 3.261 40 0 HGABLP O=S(=O)(c1ccc(NCn2cc[nH+]c2)cc1)c1ccc(NCn2cc[nH+]c2)cc1 ZINC000006198955 557693775 /nfs/dbraw/zinc/69/37/75/557693775.db2.gz YDIXNHPLOQRNSC-UHFFFAOYSA-N 2 2 408.487 3.052 40 0 HGABLP Cc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccnc(N3CC[NH+](C)CC3)n2)cc1 ZINC000019210182 558848221 /nfs/dbraw/zinc/84/82/21/558848221.db2.gz CKLPKHVOCJSOOM-UHFFFAOYSA-N 2 2 402.546 3.134 40 0 HGABLP Cc1ccc(C[N@H+](Cc2ccncc2)Cc2ccnc(N3CC[NH+](C)CC3)n2)cc1 ZINC000019210182 558848223 /nfs/dbraw/zinc/84/82/23/558848223.db2.gz CKLPKHVOCJSOOM-UHFFFAOYSA-N 2 2 402.546 3.134 40 0 HGABLP COc1ccccc1C[N@H+](Cc1cc2c(cc1C)n(C)c(=O)n2C)C1CC[NH+](C)CC1 ZINC000019662985 558954068 /nfs/dbraw/zinc/95/40/68/558954068.db2.gz ZEMPDYJXRXOQQN-UHFFFAOYSA-N 2 2 422.573 3.290 40 0 HGABLP COc1ccccc1C[N@@H+](Cc1cc2c(cc1C)n(C)c(=O)n2C)C1CC[NH+](C)CC1 ZINC000019662985 558954071 /nfs/dbraw/zinc/95/40/71/558954071.db2.gz ZEMPDYJXRXOQQN-UHFFFAOYSA-N 2 2 422.573 3.290 40 0 HGABLP COc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccc(OCCF)cc3)C2)cc1 ZINC000585269634 559115313 /nfs/dbraw/zinc/11/53/13/559115313.db2.gz DRTISZXPVMHAJE-QHCPKHFHSA-N 2 2 402.510 3.112 40 0 HGABLP COc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccc(OCCF)cc3)C2)cc1 ZINC000585269634 559115315 /nfs/dbraw/zinc/11/53/15/559115315.db2.gz DRTISZXPVMHAJE-QHCPKHFHSA-N 2 2 402.510 3.112 40 0 HGABLP COc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccc(OCCF)cc3)C2)cc1 ZINC000585269634 559115316 /nfs/dbraw/zinc/11/53/16/559115316.db2.gz DRTISZXPVMHAJE-QHCPKHFHSA-N 2 2 402.510 3.112 40 0 HGABLP COc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccc(OCCF)cc3)C2)cc1 ZINC000585269634 559115318 /nfs/dbraw/zinc/11/53/18/559115318.db2.gz DRTISZXPVMHAJE-QHCPKHFHSA-N 2 2 402.510 3.112 40 0 HGABLP O[C@@]1(COc2ccccc2)CCC[N@H+](Cc2cccc(OCCn3cc[nH+]c3)c2)C1 ZINC000257328651 559283155 /nfs/dbraw/zinc/28/31/55/559283155.db2.gz XGOPGAGAHXOODP-DEOSSOPVSA-N 2 2 407.514 3.368 40 0 HGABLP O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCCn3cc[nH+]c3)c2)C1 ZINC000257328651 559283157 /nfs/dbraw/zinc/28/31/57/559283157.db2.gz XGOPGAGAHXOODP-DEOSSOPVSA-N 2 2 407.514 3.368 40 0 HGABLP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccccc1 ZINC000022075129 568473984 /nfs/dbraw/zinc/47/39/84/568473984.db2.gz DXZPEPNZUFWJDX-HNNXBMFYSA-N 2 2 423.351 3.097 40 0 HGABLP COc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1C[NH+]1CCOCC1 ZINC000012240417 558360076 /nfs/dbraw/zinc/36/00/76/558360076.db2.gz NAMPEJURBLGBAX-UHFFFAOYSA-N 2 2 414.521 3.150 40 0 HGABLP Cc1cc(Br)c2c(c1)[C@@H](O)C(C[NH+]1CCCC1)(C[NH+]1CCCC1)CO2 ZINC000055120893 558873265 /nfs/dbraw/zinc/87/32/65/558873265.db2.gz PDXQJJMYQWQJPI-LJQANCHMSA-N 2 2 409.368 3.361 40 0 HGABLP CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1cccnc1)CCC2 ZINC000096056084 559093854 /nfs/dbraw/zinc/09/38/54/559093854.db2.gz CWXBCFVTFJGVIF-URXFXBBRSA-N 2 2 408.546 3.062 40 0 HGABLP CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1cccnc1)CCC2 ZINC000096056084 559093856 /nfs/dbraw/zinc/09/38/56/559093856.db2.gz CWXBCFVTFJGVIF-URXFXBBRSA-N 2 2 408.546 3.062 40 0 HGABLP CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1cccnc1)CCC2 ZINC000096056084 559093858 /nfs/dbraw/zinc/09/38/58/559093858.db2.gz CWXBCFVTFJGVIF-URXFXBBRSA-N 2 2 408.546 3.062 40 0 HGABLP CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1cccnc1)CCC2 ZINC000096056084 559093859 /nfs/dbraw/zinc/09/38/59/559093859.db2.gz CWXBCFVTFJGVIF-URXFXBBRSA-N 2 2 408.546 3.062 40 0 HGABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)CC[N@H+](C)Cc2cccnc2)n1 ZINC000257216203 568780772 /nfs/dbraw/zinc/78/07/72/568780772.db2.gz CTNVSXKSCBBIKW-OAQYLSRUSA-N 2 2 418.545 3.410 40 0 HGABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)CC[N@@H+](C)Cc2cccnc2)n1 ZINC000257216203 568780773 /nfs/dbraw/zinc/78/07/73/568780773.db2.gz CTNVSXKSCBBIKW-OAQYLSRUSA-N 2 2 418.545 3.410 40 0 HGABLP COc1ccc(C[N@@H+]2CCc3nc(-c4ccncc4)nc(NCC[NH+](C)C)c3C2)cc1 ZINC000019582963 558937617 /nfs/dbraw/zinc/93/76/17/558937617.db2.gz QZHPYRHJRPXNAQ-UHFFFAOYSA-N 2 2 418.545 3.079 40 0 HGABLP COc1ccc(C[N@H+]2CCc3nc(-c4ccncc4)nc(NCC[NH+](C)C)c3C2)cc1 ZINC000019582963 558937620 /nfs/dbraw/zinc/93/76/20/558937620.db2.gz QZHPYRHJRPXNAQ-UHFFFAOYSA-N 2 2 418.545 3.079 40 0 HGABLP O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000019660656 558951786 /nfs/dbraw/zinc/95/17/86/558951786.db2.gz AHSHCXKPPRABFY-UHFFFAOYSA-N 2 2 406.574 3.071 40 0 HGABLP O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000019660656 558951789 /nfs/dbraw/zinc/95/17/89/558951789.db2.gz AHSHCXKPPRABFY-UHFFFAOYSA-N 2 2 406.574 3.071 40 0 HGABLP Cc1nn(C)c(C)c1NC(=O)CC[N@@H+]1CCC[C@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000019716002 558977533 /nfs/dbraw/zinc/97/75/33/558977533.db2.gz GWLAPOYRETUPDP-MRXNPFEDSA-N 2 2 412.513 3.336 40 0 HGABLP Cc1nn(C)c(C)c1NC(=O)CC[N@H+]1CCC[C@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000019716002 558977535 /nfs/dbraw/zinc/97/75/35/558977535.db2.gz GWLAPOYRETUPDP-MRXNPFEDSA-N 2 2 412.513 3.336 40 0 HGABLP Cn1c(C[NH+]2CCSCC2)cc(=O)c(O)c1C[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000095479253 560558291 /nfs/dbraw/zinc/55/82/91/560558291.db2.gz PCEHZJKJJZXXTI-VGOFRKELSA-N 2 2 405.608 3.040 40 0 HGABLP Cn1c(C[NH+]2CCSCC2)cc(=O)c(O)c1C[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000095479253 560558292 /nfs/dbraw/zinc/55/82/92/560558292.db2.gz PCEHZJKJJZXXTI-VGOFRKELSA-N 2 2 405.608 3.040 40 0 HGABLP O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000038831655 558816940 /nfs/dbraw/zinc/81/69/40/558816940.db2.gz LOGLDYJUPBAPFX-UHFFFAOYSA-N 2 2 407.558 3.435 40 0 HGABLP Cn1cc[nH+]c1[C@H](c1ccccc1)N1CCN(C(=O)CCC[NH+]2CCCCCC2)CC1 ZINC000019291303 558863742 /nfs/dbraw/zinc/86/37/42/558863742.db2.gz LEELCKUQNZEUOK-DEOSSOPVSA-N 2 2 423.605 3.310 40 0 HGABLP CN(CC[NH+](C)C)c1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccccc1F)CC2 ZINC000019582494 558937577 /nfs/dbraw/zinc/93/75/77/558937577.db2.gz KQVYFBOWFBGXIC-UHFFFAOYSA-N 2 2 420.536 3.234 40 0 HGABLP CN(CC[NH+](C)C)c1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccccc1F)CC2 ZINC000019582494 558937579 /nfs/dbraw/zinc/93/75/79/558937579.db2.gz KQVYFBOWFBGXIC-UHFFFAOYSA-N 2 2 420.536 3.234 40 0 HGABLP CN(CC[NH+](C)C)c1nc(-c2ccccn2)nc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000072337491 558937918 /nfs/dbraw/zinc/93/79/18/558937918.db2.gz ITYIIMSULLMBHN-UHFFFAOYSA-N 2 2 420.536 3.234 40 0 HGABLP CN(CC[NH+](C)C)c1nc(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000072337491 558937919 /nfs/dbraw/zinc/93/79/19/558937919.db2.gz ITYIIMSULLMBHN-UHFFFAOYSA-N 2 2 420.536 3.234 40 0 HGABLP C[N@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000585270667 559116517 /nfs/dbraw/zinc/11/65/17/559116517.db2.gz AMIDBHGUPAPOKG-VWLOTQADSA-N 3 2 424.589 3.020 40 0 HGABLP C[N@@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000585270667 559116519 /nfs/dbraw/zinc/11/65/19/559116519.db2.gz AMIDBHGUPAPOKG-VWLOTQADSA-N 3 2 424.589 3.020 40 0 HGABLP C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000585271363 559116765 /nfs/dbraw/zinc/11/67/65/559116765.db2.gz XFXSDAAPODCDQU-DEOSSOPVSA-N 2 2 404.514 3.129 40 0 HGABLP C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000585271363 559116766 /nfs/dbraw/zinc/11/67/66/559116766.db2.gz XFXSDAAPODCDQU-DEOSSOPVSA-N 2 2 404.514 3.129 40 0 HGABLP C[NH+]1CCC(Oc2ccc(NC(=O)c3cccc(C[NH+]4CCOCC4)c3)cc2)CC1 ZINC000219249734 568488518 /nfs/dbraw/zinc/48/85/18/568488518.db2.gz JIVFVHOVZNNHMD-UHFFFAOYSA-N 2 2 409.530 3.244 40 0 HGABLP O=C(NCCC[NH+]1CCOCC1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000219416766 568491595 /nfs/dbraw/zinc/49/15/95/568491595.db2.gz PZUKWPHRSOUVPU-UHFFFAOYSA-N 2 2 414.377 3.044 40 0 HGABLP COC[C@@H](C)NC(=O)C[NH+]1CCC(c2cc(Nc3cccc(C)n3)cc(C)[nH+]2)CC1 ZINC000257259797 568792898 /nfs/dbraw/zinc/79/28/98/568792898.db2.gz LABLMRIPAUYSOJ-GOSISDBHSA-N 2 2 411.550 3.168 40 0 HGABLP COC[C@@H](C)NC(=O)C[NH+]1CCC(c2cc(Nc3cccc(C)[nH+]3)cc(C)[nH+]2)CC1 ZINC000257259797 568792899 /nfs/dbraw/zinc/79/28/99/568792899.db2.gz LABLMRIPAUYSOJ-GOSISDBHSA-N 3 2 411.550 3.168 40 0 HGABLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000257334717 568814510 /nfs/dbraw/zinc/81/45/10/568814510.db2.gz YHBWGMNYKHRQKS-NRFANRHFSA-N 2 2 402.502 3.235 40 0 HGABLP CC(C)C[C@@H]1[NH2+][C@H](C(=O)NC2CC2)Cc2cn(Cc3[nH+]ccn3C)c3cccc1c23 ZINC000049171757 291232621 /nfs/dbraw/zinc/23/26/21/291232621.db2.gz UHIFOSGMSKLMSJ-PMACEKPBSA-N 2 2 405.546 3.303 40 0 biogenic,in-vitro HGABLP C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)Nc5ccccc5)c43)C2)CC1 ZINC000015672363 291235663 /nfs/dbraw/zinc/23/56/63/291235663.db2.gz VYTMDTWXUKNGLC-ZWKOTPCHSA-N 2 2 421.545 3.006 40 0 biogenic,in-vitro HGABLP C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)Nc5ccccc5)c43)C2)CC1 ZINC000015672363 291235666 /nfs/dbraw/zinc/23/56/66/291235666.db2.gz VYTMDTWXUKNGLC-ZWKOTPCHSA-N 2 2 421.545 3.006 40 0 biogenic,in-vitro HGABLP COc1ccc(C[NH2+]C2(Cc3cc(C[N@H+](C)Cc4ccccc4)on3)COC2)cc1 ZINC000067898095 291240438 /nfs/dbraw/zinc/24/04/38/291240438.db2.gz PLYPVEKAZSTLBR-UHFFFAOYSA-N 2 2 407.514 3.417 40 0 biogenic,in-vitro HGABLP COc1ccc(C[NH2+]C2(Cc3cc(C[N@@H+](C)Cc4ccccc4)on3)COC2)cc1 ZINC000067898095 291240442 /nfs/dbraw/zinc/24/04/42/291240442.db2.gz PLYPVEKAZSTLBR-UHFFFAOYSA-N 2 2 407.514 3.417 40 0 biogenic,in-vitro HGABLP OC1(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC[NH+](C2CCOCC2)CC1 ZINC000225474039 291245926 /nfs/dbraw/zinc/24/59/26/291245926.db2.gz DVCTZCDGMGWBQA-UHFFFAOYSA-N 2 2 413.587 3.164 40 0 biogenic,in-vitro HGABLP OC1(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC[NH+](C2CCOCC2)CC1 ZINC000225474039 291245928 /nfs/dbraw/zinc/24/59/28/291245928.db2.gz DVCTZCDGMGWBQA-UHFFFAOYSA-N 2 2 413.587 3.164 40 0 biogenic,in-vitro HGABLP Cc1ccc2[nH+]c(C)cc(OCC(=O)N(C[C@H]3CCCO3)C3CC[NH+](C)CC3)c2c1 ZINC000019220598 558851805 /nfs/dbraw/zinc/85/18/05/558851805.db2.gz SRJDQXKVHSKGNV-HXUWFJFHSA-N 2 2 411.546 3.332 40 0 HGABLP CC[NH+](CC)CCCNC(=O)[C@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037539 559091222 /nfs/dbraw/zinc/09/12/22/559091222.db2.gz XLAHITNAXYYABG-HSZRJFAPSA-N 2 2 411.594 3.412 40 0 HGABLP CCc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@@H]1CCC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257292833 568802473 /nfs/dbraw/zinc/80/24/73/568802473.db2.gz QNDJEEKLSJPSML-TXTKFYIRSA-N 2 2 409.534 3.107 40 0 HGABLP CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000329070008 571306466 /nfs/dbraw/zinc/30/64/66/571306466.db2.gz ZCNIMHASHVDMLC-UHFFFAOYSA-N 2 2 418.383 3.899 40 0 HGABLP CCc1[nH+]ccn1CCC(=O)N1CC[C@@H](c2cc(-c3ccc(N)[nH+]c3)cc(C)n2)C1 ZINC000072374672 558962476 /nfs/dbraw/zinc/96/24/76/558962476.db2.gz CWZXDOZYGXIYNG-GOSISDBHSA-N 2 2 404.518 3.199 40 0 HGABLP Cc1cc(Nc2ncccn2)cc([C@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)[nH+]1 ZINC000257200757 568776434 /nfs/dbraw/zinc/77/64/34/568776434.db2.gz AEUHNRJRFZKOJR-INIZCTEOSA-N 2 2 406.465 3.491 40 0 HGABLP Cc1cc(Nc2ncccn2)cc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)[nH+]1 ZINC000257200757 568776435 /nfs/dbraw/zinc/77/64/35/568776435.db2.gz AEUHNRJRFZKOJR-INIZCTEOSA-N 2 2 406.465 3.491 40 0 HGABLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C(C)C)[C@H](C(=O)N(C)C)c2cncn23)cc1C ZINC000306141694 568903331 /nfs/dbraw/zinc/90/33/31/568903331.db2.gz WEDYNSPETDNYLO-QHCPKHFHSA-N 2 2 423.605 3.345 40 0 HGABLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C(C)C)[C@H](C(=O)N(C)C)c2cncn23)cc1C ZINC000306141694 568903333 /nfs/dbraw/zinc/90/33/33/568903333.db2.gz WEDYNSPETDNYLO-QHCPKHFHSA-N 2 2 423.605 3.345 40 0 HGABLP Cc1cc(Nc2ncccn2)cc([C@@H]2CCC[N@@H+](CC(=O)N3CCC(C)CC3)C2)[nH+]1 ZINC000072374859 558962898 /nfs/dbraw/zinc/96/28/98/558962898.db2.gz SXELRGYDGUVOBL-LJQANCHMSA-N 2 2 408.550 3.362 40 0 HGABLP Cc1cc(Nc2ncccn2)cc([C@@H]2CCC[N@H+](CC(=O)N3CCC(C)CC3)C2)[nH+]1 ZINC000072374859 558962902 /nfs/dbraw/zinc/96/29/02/558962902.db2.gz SXELRGYDGUVOBL-LJQANCHMSA-N 2 2 408.550 3.362 40 0 HGABLP O=c1[nH]c2cc3c(cc2cc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)OCCO3 ZINC000004132802 568915559 /nfs/dbraw/zinc/91/55/59/568915559.db2.gz CBJBQUFBOTXHPI-UHFFFAOYSA-N 2 2 405.498 3.054 40 0 HGABLP Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000038831792 558817083 /nfs/dbraw/zinc/81/70/83/558817083.db2.gz MMEPSOCMGDYPFK-UHFFFAOYSA-N 2 2 404.514 3.002 40 0 HGABLP C[NH+](C)CCNc1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccccc1F)CC2 ZINC000019582967 558937543 /nfs/dbraw/zinc/93/75/43/558937543.db2.gz NHJJYFVMUUVESD-UHFFFAOYSA-N 2 2 406.509 3.210 40 0 HGABLP C[NH+](C)CCNc1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccccc1F)CC2 ZINC000019582967 558937545 /nfs/dbraw/zinc/93/75/45/558937545.db2.gz NHJJYFVMUUVESD-UHFFFAOYSA-N 2 2 406.509 3.210 40 0 HGABLP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccccc1 ZINC000022075127 568473907 /nfs/dbraw/zinc/47/39/07/568473907.db2.gz DXZPEPNZUFWJDX-OAHLLOKOSA-N 2 2 423.351 3.097 40 0 HGABLP COc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)[C@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000019079065 558838757 /nfs/dbraw/zinc/83/87/57/558838757.db2.gz XDNJWNOFZUCUIB-WMZHIEFXSA-N 2 2 404.514 3.387 40 0 HGABLP CN(CC[NH+](C)C)c1nc(-c2ccccn2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000019582482 558937333 /nfs/dbraw/zinc/93/73/33/558937333.db2.gz OBVJHNYPVWLIOG-UHFFFAOYSA-N 2 2 420.536 3.234 40 0 HGABLP CN(CC[NH+](C)C)c1nc(-c2ccccn2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000019582482 558937335 /nfs/dbraw/zinc/93/73/35/558937335.db2.gz OBVJHNYPVWLIOG-UHFFFAOYSA-N 2 2 420.536 3.234 40 0 HGABLP CCn1c(C)[nH+]c2cc(NC(=O)[C@@H](C)C[NH+]3CCN(c4ccccn4)CC3)ccc21 ZINC000019717663 558980480 /nfs/dbraw/zinc/98/04/80/558980480.db2.gz HDZSYJZYSNUAJD-KRWDZBQOSA-N 2 2 406.534 3.156 40 0 HGABLP CC[NH+](CC)CCCNC(=O)[C@@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037538 559091268 /nfs/dbraw/zinc/09/12/68/559091268.db2.gz XLAHITNAXYYABG-QHCPKHFHSA-N 2 2 411.594 3.412 40 0 HGABLP Cc1ccc2[nH]c(C3CC[NH+](CC(=O)Nc4ccc5c(c4)OCCO5)CC3)[nH+]c2c1 ZINC000005054734 560623945 /nfs/dbraw/zinc/62/39/45/560623945.db2.gz LKTKTXFZAAAXQC-UHFFFAOYSA-N 2 2 406.486 3.461 40 0 HGABLP O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000224806909 568597767 /nfs/dbraw/zinc/59/77/67/568597767.db2.gz CJISGPAIOGXLLV-UHFFFAOYSA-N 2 2 407.558 3.435 40 0 HGABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)CC[N@H+](C)Cc2cccnc2)n1 ZINC000257216202 568780799 /nfs/dbraw/zinc/78/07/99/568780799.db2.gz CTNVSXKSCBBIKW-NRFANRHFSA-N 2 2 418.545 3.410 40 0 HGABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)CC[N@@H+](C)Cc2cccnc2)n1 ZINC000257216202 568780800 /nfs/dbraw/zinc/78/08/00/568780800.db2.gz CTNVSXKSCBBIKW-NRFANRHFSA-N 2 2 418.545 3.410 40 0 HGABLP CCc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NCc4c[nH+]cn4C)nc23)cc1 ZINC000306144730 568906117 /nfs/dbraw/zinc/90/61/17/568906117.db2.gz ZNILZPBEQVSESA-DEOSSOPVSA-N 2 2 418.545 3.059 40 0 HGABLP CCc1ccc(C[N@H+]2CC[C@]3(C2)COCc2cnc(NCc4c[nH+]cn4C)nc23)cc1 ZINC000306144730 568906120 /nfs/dbraw/zinc/90/61/20/568906120.db2.gz ZNILZPBEQVSESA-DEOSSOPVSA-N 2 2 418.545 3.059 40 0 HGABLP Cn1cc[nH+]c1[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000019291297 558863843 /nfs/dbraw/zinc/86/38/43/558863843.db2.gz ATHZOPWLUAKWTM-XZOQPEGZSA-N 2 2 421.589 3.061 40 0 HGABLP Cn1cc[nH+]c1[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000019291297 558863847 /nfs/dbraw/zinc/86/38/47/558863847.db2.gz ATHZOPWLUAKWTM-XZOQPEGZSA-N 2 2 421.589 3.061 40 0 HGABLP O=C(c1ccccc1C[NH+]1CCCC1)N1CCOC[C@H](Cc2ccc3[nH+]ccn3c2)C1 ZINC000257275025 568797151 /nfs/dbraw/zinc/79/71/51/568797151.db2.gz NNQWZXUQZULSPF-OAQYLSRUSA-N 2 2 418.541 3.261 40 0 HGABLP CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+](C)Cc2ccccc2)cc1 ZINC000067870691 291235455 /nfs/dbraw/zinc/23/54/55/291235455.db2.gz ACSNIGXLJCJPEW-SONWIMMPSA-N 2 2 420.601 3.325 40 0 biogenic,in-vitro HGABLP CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+](C)Cc2ccccc2)cc1 ZINC000067870691 291235457 /nfs/dbraw/zinc/23/54/57/291235457.db2.gz ACSNIGXLJCJPEW-SONWIMMPSA-N 2 2 420.601 3.325 40 0 biogenic,in-vitro HGABLP CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C[N@H+](C)Cc2ccccc2)cc1 ZINC000067870691 291235459 /nfs/dbraw/zinc/23/54/59/291235459.db2.gz ACSNIGXLJCJPEW-SONWIMMPSA-N 2 2 420.601 3.325 40 0 biogenic,in-vitro HGABLP CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C[N@@H+](C)Cc2ccccc2)cc1 ZINC000067870691 291235460 /nfs/dbraw/zinc/23/54/60/291235460.db2.gz ACSNIGXLJCJPEW-SONWIMMPSA-N 2 2 420.601 3.325 40 0 biogenic,in-vitro HGABLP COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@@H+](C2CC[NH+](C)CC2)C3)cc1 ZINC000096111883 291239858 /nfs/dbraw/zinc/23/98/58/291239858.db2.gz MRPSMBGLWKHNPA-GMAHTHKFSA-N 2 2 421.541 3.158 40 0 biogenic,in-vitro HGABLP Cn1cc[nH+]c1[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000019291298 558863857 /nfs/dbraw/zinc/86/38/57/558863857.db2.gz ATHZOPWLUAKWTM-PKTZIBPZSA-N 2 2 421.589 3.061 40 0 HGABLP Cn1cc[nH+]c1[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000019291298 558863860 /nfs/dbraw/zinc/86/38/60/558863860.db2.gz ATHZOPWLUAKWTM-PKTZIBPZSA-N 2 2 421.589 3.061 40 0 HGABLP COc1ccc(C[N@H+](Cc2cc3c(cc2C)n(C)c(=O)n3C)C2CC[NH+](C)CC2)cc1 ZINC000019662988 558954006 /nfs/dbraw/zinc/95/40/06/558954006.db2.gz DWSDMSBZBHJXAA-UHFFFAOYSA-N 2 2 422.573 3.290 40 0 HGABLP COc1ccc(C[N@@H+](Cc2cc3c(cc2C)n(C)c(=O)n3C)C2CC[NH+](C)CC2)cc1 ZINC000019662988 558954008 /nfs/dbraw/zinc/95/40/08/558954008.db2.gz DWSDMSBZBHJXAA-UHFFFAOYSA-N 2 2 422.573 3.290 40 0 HGABLP Cc1cc(Nc2ncccc2C)cc([C@H]2CCC[N@H+](CCC(=O)N3CCOCC3)C2)[nH+]1 ZINC000072374864 558963039 /nfs/dbraw/zinc/96/30/39/558963039.db2.gz XVGBFDDQVYPTIF-FQEVSTJZSA-N 2 2 423.561 3.265 40 0 HGABLP Cc1cc(Nc2ncccc2C)cc([C@H]2CCC[N@@H+](CCC(=O)N3CCOCC3)C2)[nH+]1 ZINC000072374864 558963041 /nfs/dbraw/zinc/96/30/41/558963041.db2.gz XVGBFDDQVYPTIF-FQEVSTJZSA-N 2 2 423.561 3.265 40 0 HGABLP CCn1c(C)[nH+]c2cc(NC(=O)[C@H](C)C[NH+]3CCN(c4ccccn4)CC3)ccc21 ZINC000019717664 558980539 /nfs/dbraw/zinc/98/05/39/558980539.db2.gz HDZSYJZYSNUAJD-QGZVFWFLSA-N 2 2 406.534 3.156 40 0 HGABLP CNc1nc([C@H]2CC[NH2+]C2)nc2c1CC[N@H+](Cc1cccc(OC3CCCC3)c1)C2 ZINC000257281029 568798790 /nfs/dbraw/zinc/79/87/90/568798790.db2.gz ONIXWTSULVMBQA-SFHVURJKSA-N 2 2 407.562 3.475 40 0 HGABLP CNc1nc([C@H]2CC[NH2+]C2)nc2c1CC[N@@H+](Cc1cccc(OC3CCCC3)c1)C2 ZINC000257281029 568798791 /nfs/dbraw/zinc/79/87/91/568798791.db2.gz ONIXWTSULVMBQA-SFHVURJKSA-N 2 2 407.562 3.475 40 0 HGABLP COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCC[N@H+](CC(=O)N4CCCC4=O)C3)c2)c1 ZINC000257305683 568806367 /nfs/dbraw/zinc/80/63/67/568806367.db2.gz SRAKYJMOUAZRQF-SFHVURJKSA-N 2 2 422.529 3.471 40 0 HGABLP COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCC[N@@H+](CC(=O)N4CCCC4=O)C3)c2)c1 ZINC000257305683 568806368 /nfs/dbraw/zinc/80/63/68/568806368.db2.gz SRAKYJMOUAZRQF-SFHVURJKSA-N 2 2 422.529 3.471 40 0 HGABLP Cn1c2ccc(C[N@H+](CCCn3cc[nH+]c3)Cc3ccccc3F)cc2n(C)c1=O ZINC000043277859 527099565 /nfs/dbraw/zinc/09/95/65/527099565.db2.gz MKAHTMMNRQFQLI-UHFFFAOYSA-N 2 2 407.493 3.305 40 0 HGABLP Cn1c2ccc(C[N@@H+](CCCn3cc[nH+]c3)Cc3ccccc3F)cc2n(C)c1=O ZINC000043277859 527099570 /nfs/dbraw/zinc/09/95/70/527099570.db2.gz MKAHTMMNRQFQLI-UHFFFAOYSA-N 2 2 407.493 3.305 40 0 HGABLP FC(F)(F)Oc1cccc(-c2cc(NCCC3CC[NH2+]CC3)nc(NC3CC3)[nH+]2)c1 ZINC000329008110 527675717 /nfs/dbraw/zinc/67/57/17/527675717.db2.gz LPHQSBKTZDHTHR-UHFFFAOYSA-N 2 2 421.467 3.262 40 0 HGABLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCCCOc2ccccc2)c(Cl)c1 ZINC000016951318 558809630 /nfs/dbraw/zinc/80/96/30/558809630.db2.gz UTCUREXCXPTEBS-UHFFFAOYSA-N 2 2 401.898 3.373 40 0 HGABLP CCc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000019714024 558973702 /nfs/dbraw/zinc/97/37/02/558973702.db2.gz PTJZMRDDHJJZPZ-LJQANCHMSA-N 2 2 405.546 3.364 40 0 HGABLP CCc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000019714024 558973703 /nfs/dbraw/zinc/97/37/03/558973703.db2.gz PTJZMRDDHJJZPZ-LJQANCHMSA-N 2 2 405.546 3.364 40 0 HGABLP Cc1[nH+]c2cc(NC(=O)[C@H]3CCC[N@H+](CCC(N)=O)C3)ccc2n1C1CCCCC1 ZINC000019717591 558980509 /nfs/dbraw/zinc/98/05/09/558980509.db2.gz XHDJGOKZMBUDEI-KRWDZBQOSA-N 2 2 411.550 3.376 40 0 HGABLP Cc1[nH+]c2cc(NC(=O)[C@H]3CCC[N@@H+](CCC(N)=O)C3)ccc2n1C1CCCCC1 ZINC000019717591 558980512 /nfs/dbraw/zinc/98/05/12/558980512.db2.gz XHDJGOKZMBUDEI-KRWDZBQOSA-N 2 2 411.550 3.376 40 0 HGABLP Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000225298966 568628529 /nfs/dbraw/zinc/62/85/29/568628529.db2.gz OXYHVHGABSWTHN-UHFFFAOYSA-N 2 2 404.514 3.002 40 0 HGABLP COCCNC(=O)C[N@@H+]1CCC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000257252297 568790916 /nfs/dbraw/zinc/79/09/16/568790916.db2.gz JUGTWUKLINTLRZ-QGZVFWFLSA-N 2 2 400.498 3.215 40 0 HGABLP COCCNC(=O)C[N@H+]1CCC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000257252297 568790917 /nfs/dbraw/zinc/79/09/17/568790917.db2.gz JUGTWUKLINTLRZ-QGZVFWFLSA-N 2 2 400.498 3.215 40 0 HGABLP C[NH+](C)CCNc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(C2CC2)[nH+]1 ZINC000329044269 571304741 /nfs/dbraw/zinc/30/47/41/571304741.db2.gz SWAROBXFZBHLSO-UHFFFAOYSA-N 2 2 421.467 3.789 40 0 HGABLP CC(C)c1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000329006754 571306480 /nfs/dbraw/zinc/30/64/80/571306480.db2.gz LEFRRQIYLLTKTJ-UHFFFAOYSA-N 2 2 423.483 4.035 40 0 HGABLP COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CC[NH+](Cc3ccc(F)cc3)CC2)cs1 ZINC000225422848 291237441 /nfs/dbraw/zinc/23/74/41/291237441.db2.gz OXMMBUXJSIFUDP-LJQANCHMSA-N 2 2 419.566 3.377 40 0 biogenic,in-vitro HGABLP COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CC[NH+](Cc3ccc(F)cc3)CC2)cs1 ZINC000225422848 291237443 /nfs/dbraw/zinc/23/74/43/291237443.db2.gz OXMMBUXJSIFUDP-LJQANCHMSA-N 2 2 419.566 3.377 40 0 biogenic,in-vitro HGABLP C[C@@H](CC(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1)n1cc[nH+]c1 ZINC000019455460 558891741 /nfs/dbraw/zinc/89/17/41/558891741.db2.gz MCXQUWZEPBJFBE-KRWDZBQOSA-N 2 2 424.524 3.155 40 0 HGABLP C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(C[NH+]5CC5)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C[NH+]1CC1 ZINC000118916202 568420334 /nfs/dbraw/zinc/42/03/34/568420334.db2.gz KDZDNXAVYMXPKT-QIILRDBWSA-N 2 2 402.623 3.123 40 0 HGABLP C[N@H+](CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@H]2Cc1ccccc1)Cc1cccnc1 ZINC000257226147 568783745 /nfs/dbraw/zinc/78/37/45/568783745.db2.gz FJHYKTVSQXBCNG-TYUWDEHNSA-N 2 2 418.585 3.256 40 0 HGABLP C[N@@H+](CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@H]2Cc1ccccc1)Cc1cccnc1 ZINC000257226147 568783747 /nfs/dbraw/zinc/78/37/47/568783747.db2.gz FJHYKTVSQXBCNG-TYUWDEHNSA-N 2 2 418.585 3.256 40 0 HGABLP C[N@H+](CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1)Cc1ccccn1 ZINC000257259812 568792872 /nfs/dbraw/zinc/79/28/72/568792872.db2.gz LAECHXGSPBECOW-CAIUVPPLSA-N 2 2 418.585 3.256 40 0 HGABLP C[N@@H+](CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1)Cc1ccccn1 ZINC000257259812 568792874 /nfs/dbraw/zinc/79/28/74/568792874.db2.gz LAECHXGSPBECOW-CAIUVPPLSA-N 2 2 418.585 3.256 40 0 HGABLP COc1cc2c(cc1C[N@@H+]1CC[C@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C1)OCCCO2 ZINC000257319225 568810091 /nfs/dbraw/zinc/81/00/91/568810091.db2.gz VRJRGUXSSZWPTA-INIZCTEOSA-N 2 2 421.501 3.213 40 0 HGABLP COc1cc2c(cc1C[N@H+]1CC[C@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C1)OCCCO2 ZINC000257319225 568810094 /nfs/dbraw/zinc/81/00/94/568810094.db2.gz VRJRGUXSSZWPTA-INIZCTEOSA-N 2 2 421.501 3.213 40 0 HGABLP Cc1cc(C)cc(C[N@H+]2CC[C@]3(C2)COCc2cnc(NCc4c[nH+]cn4C)nc23)c1 ZINC000306132618 568894831 /nfs/dbraw/zinc/89/48/31/568894831.db2.gz LNXAELIPEHSISL-DEOSSOPVSA-N 2 2 418.545 3.113 40 0 HGABLP Cc1cc(C)cc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(NCc4c[nH+]cn4C)nc23)c1 ZINC000306132618 568894833 /nfs/dbraw/zinc/89/48/33/568894833.db2.gz LNXAELIPEHSISL-DEOSSOPVSA-N 2 2 418.545 3.113 40 0 HGABLP Cc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000043277699 525131460 /nfs/dbraw/zinc/13/14/60/525131460.db2.gz KIEKGYIOMHWPFV-UHFFFAOYSA-N 2 2 403.530 3.474 40 0 HGABLP Cc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000043277699 525131471 /nfs/dbraw/zinc/13/14/71/525131471.db2.gz KIEKGYIOMHWPFV-UHFFFAOYSA-N 2 2 403.530 3.474 40 0 HGABLP CC(C)(C)c1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]CC[NH+]3CCCC3)cc21 ZINC000022916081 558521682 /nfs/dbraw/zinc/52/16/82/558521682.db2.gz RWOQJQLOYKBJTQ-UHFFFAOYSA-N 2 2 411.525 3.336 40 0 HGABLP CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)c1C ZINC000019715500 558976528 /nfs/dbraw/zinc/97/65/28/558976528.db2.gz UAAVDCNCPFARIX-MRXNPFEDSA-N 2 2 412.513 3.428 40 0 HGABLP CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)c1C ZINC000019715500 558976530 /nfs/dbraw/zinc/97/65/30/558976530.db2.gz UAAVDCNCPFARIX-MRXNPFEDSA-N 2 2 412.513 3.428 40 0 HGABLP C[N@H+](CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@H]2Cc1ccccc1)Cc1ccccn1 ZINC000257259813 568792941 /nfs/dbraw/zinc/79/29/41/568792941.db2.gz LAECHXGSPBECOW-TYUWDEHNSA-N 2 2 418.585 3.256 40 0 HGABLP C[N@@H+](CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@H]2Cc1ccccc1)Cc1ccccn1 ZINC000257259813 568792942 /nfs/dbraw/zinc/79/29/42/568792942.db2.gz LAECHXGSPBECOW-TYUWDEHNSA-N 2 2 418.585 3.256 40 0 HGABLP Cc1[nH+]c2c(n1C(C)C)CN(C(=O)c1cnccn1)CC21CC[NH+](CC(C)C)CC1 ZINC000306141016 568902892 /nfs/dbraw/zinc/90/28/92/568902892.db2.gz VJAJESHWFPCUMN-UHFFFAOYSA-N 2 2 410.566 3.208 40 0 HGABLP CCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328994427 568971743 /nfs/dbraw/zinc/97/17/43/568971743.db2.gz JDNXAQNNCGIVBB-UHFFFAOYSA-N 2 2 409.456 3.119 40 0 HGABLP Cc1ccc2[nH+]c(C)cc(OCC(=O)N(C[C@@H]3CCCO3)C3CC[NH+](C)CC3)c2c1 ZINC000019220594 558851813 /nfs/dbraw/zinc/85/18/13/558851813.db2.gz SRJDQXKVHSKGNV-FQEVSTJZSA-N 2 2 411.546 3.332 40 0 HGABLP Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@@H+](CC(=O)N3CCC(C)CC3)C2)[nH+]1 ZINC000072374860 558963098 /nfs/dbraw/zinc/96/30/98/558963098.db2.gz SXELRGYDGUVOBL-IBGZPJMESA-N 2 2 408.550 3.362 40 0 HGABLP Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@H+](CC(=O)N3CCC(C)CC3)C2)[nH+]1 ZINC000072374860 558963100 /nfs/dbraw/zinc/96/31/00/558963100.db2.gz SXELRGYDGUVOBL-IBGZPJMESA-N 2 2 408.550 3.362 40 0 HGABLP C[NH+](C)CCCNc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329056624 568974916 /nfs/dbraw/zinc/97/49/16/568974916.db2.gz VSQBNWMGAGTSEA-UHFFFAOYSA-N 2 2 408.319 3.207 40 0 HGABLP Cn1cc[nH+]c1[C@@H](c1ccccc1)N1CCN(C(=O)CCC[NH+]2CCCCCC2)CC1 ZINC000019291304 558863938 /nfs/dbraw/zinc/86/39/38/558863938.db2.gz LEELCKUQNZEUOK-XMMPIXPASA-N 2 2 423.605 3.310 40 0 HGABLP COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)c(OC)c1 ZINC000328964619 568970033 /nfs/dbraw/zinc/97/00/33/568970033.db2.gz BXGZQFBUKYEQOW-UHFFFAOYSA-N 2 2 407.518 3.112 40 0 HGABLP CC(C)c1cc(N2CCc3ccc(Br)cc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000328971238 571306387 /nfs/dbraw/zinc/30/63/87/571306387.db2.gz DOHZSZBSHBCQRF-UHFFFAOYSA-N 2 2 418.383 3.899 40 0 HGABLP COC(=O)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)cc1 ZINC000329005889 571306759 /nfs/dbraw/zinc/30/67/59/571306759.db2.gz KZZABGWORCVPDF-UHFFFAOYSA-N 2 2 405.502 4.037 40 0 HGABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000012602545 291233043 /nfs/dbraw/zinc/23/30/43/291233043.db2.gz SFLRDGFGTSGTKN-KMDXXIMOSA-N 2 2 412.622 3.359 40 0 biogenic,in-vitro HGABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000012602545 291233046 /nfs/dbraw/zinc/23/30/46/291233046.db2.gz SFLRDGFGTSGTKN-KMDXXIMOSA-N 2 2 412.622 3.359 40 0 biogenic,in-vitro HGABLP CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2CCSCC2)c1 ZINC000012602643 291241343 /nfs/dbraw/zinc/24/13/43/291241343.db2.gz WMFJPPMVYCJXRJ-JENIJYKNSA-N 2 2 420.648 3.289 40 0 biogenic,in-vitro HGABLP CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCSCC2)c1 ZINC000012602643 291241344 /nfs/dbraw/zinc/24/13/44/291241344.db2.gz WMFJPPMVYCJXRJ-JENIJYKNSA-N 2 2 420.648 3.289 40 0 biogenic,in-vitro HGABLP Cc1ccc(C2(O)CC[NH+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000019208602 558847559 /nfs/dbraw/zinc/84/75/59/558847559.db2.gz LNMAAECLDWHWEZ-UHFFFAOYSA-N 2 2 410.558 3.190 40 0 HGABLP CCc1[nH+]ccn1CCC(=O)N1CC[C@H](c2cc(-c3ccc(N)[nH+]c3)cc(C)n2)C1 ZINC000072374671 558962542 /nfs/dbraw/zinc/96/25/42/558962542.db2.gz CWZXDOZYGXIYNG-SFHVURJKSA-N 2 2 404.518 3.199 40 0 HGABLP C[NH+](C)CCCNc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)[nH+]1 ZINC000329070033 568975720 /nfs/dbraw/zinc/97/57/20/568975720.db2.gz ZDFKZYJUYLQULJ-UHFFFAOYSA-N 2 2 408.319 3.207 40 0 HGABLP CC(C)c1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000328974192 571306402 /nfs/dbraw/zinc/30/64/02/571306402.db2.gz FDWXHLJVWFNMIU-UHFFFAOYSA-N 2 2 423.483 4.035 40 0 HGABLP Cc1nc(NC2CCCC2)cc(CC2CC[NH+](CC(=O)NCc3ccccn3)CC2)[nH+]1 ZINC000019758393 558275087 /nfs/dbraw/zinc/27/50/87/558275087.db2.gz VFJJQAHTANESLI-UHFFFAOYSA-N 2 2 422.577 3.105 40 0 HGABLP COc1ccc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)o2)C[C@H]2CCCO2)cc1 ZINC000012187527 558346641 /nfs/dbraw/zinc/34/66/41/558346641.db2.gz ZBQNCGQRMXBDFC-OAQYLSRUSA-N 2 2 400.519 3.302 40 0 HGABLP COc1ccc(C[N@H+](Cc2ccc(C[NH+]3CCOCC3)o2)C[C@H]2CCCO2)cc1 ZINC000012187527 558346643 /nfs/dbraw/zinc/34/66/43/558346643.db2.gz ZBQNCGQRMXBDFC-OAQYLSRUSA-N 2 2 400.519 3.302 40 0 HGABLP OC1(c2ccc(F)cc2)CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000019333784 558869189 /nfs/dbraw/zinc/86/91/89/558869189.db2.gz LRDMWTPYOHGUSK-UHFFFAOYSA-N 2 2 414.521 3.020 40 0 HGABLP CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)c1C ZINC000019715499 558976490 /nfs/dbraw/zinc/97/64/90/558976490.db2.gz UAAVDCNCPFARIX-INIZCTEOSA-N 2 2 412.513 3.428 40 0 HGABLP CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)c1C ZINC000019715499 558976492 /nfs/dbraw/zinc/97/64/92/558976492.db2.gz UAAVDCNCPFARIX-INIZCTEOSA-N 2 2 412.513 3.428 40 0 HGABLP Cc1cnc(C(=O)N2CCO[C@H](c3cc(Nc4cccc(C)[nH+]4)cc(C)[nH+]3)C2)cn1 ZINC000257242470 568788059 /nfs/dbraw/zinc/78/80/59/568788059.db2.gz ICSDPQDAYBAXRH-FQEVSTJZSA-N 2 2 404.474 3.149 40 0 HGABLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000257334718 568814500 /nfs/dbraw/zinc/81/45/00/568814500.db2.gz YHBWGMNYKHRQKS-OAQYLSRUSA-N 2 2 402.502 3.235 40 0 HGABLP COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CC[NH+](Cc3ccccc3F)CC2)cs1 ZINC000225422794 291237664 /nfs/dbraw/zinc/23/76/64/291237664.db2.gz RJABDOKYGPVSAC-GOSISDBHSA-N 2 2 419.566 3.377 40 0 biogenic,in-vitro HGABLP COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CC[NH+](Cc3ccccc3F)CC2)cs1 ZINC000225422794 291237666 /nfs/dbraw/zinc/23/76/66/291237666.db2.gz RJABDOKYGPVSAC-GOSISDBHSA-N 2 2 419.566 3.377 40 0 biogenic,in-vitro HGABLP COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000225465927 291237686 /nfs/dbraw/zinc/23/76/86/291237686.db2.gz BLGJCTWHJGNCNI-LJQANCHMSA-N 2 2 401.576 3.238 40 0 biogenic,in-vitro HGABLP COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000225465927 291237688 /nfs/dbraw/zinc/23/76/88/291237688.db2.gz BLGJCTWHJGNCNI-LJQANCHMSA-N 2 2 401.576 3.238 40 0 biogenic,in-vitro HGABLP C[NH+](C)CCNc1nc(-c2ccncc2)nc2c1CC[N@H+](Cc1ccccc1F)C2 ZINC000012123275 558331070 /nfs/dbraw/zinc/33/10/70/558331070.db2.gz JLDIZMHVJSSEOJ-UHFFFAOYSA-N 2 2 406.509 3.210 40 0 HGABLP C[NH+](C)CCNc1nc(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccccc1F)C2 ZINC000012123275 558331073 /nfs/dbraw/zinc/33/10/73/558331073.db2.gz JLDIZMHVJSSEOJ-UHFFFAOYSA-N 2 2 406.509 3.210 40 0 HGABLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013682437 558567417 /nfs/dbraw/zinc/56/74/17/558567417.db2.gz JTFYPXCICZRQHL-UHFFFAOYSA-N 2 2 421.541 3.359 40 0 HGABLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000038831646 558816966 /nfs/dbraw/zinc/81/69/66/558816966.db2.gz XZTCDVFERQMWGI-UHFFFAOYSA-N 2 2 407.558 3.435 40 0 HGABLP Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)N(CC[NH+](C)C)Cc1ccc2c(c1)OCO2 ZINC000019125206 558844329 /nfs/dbraw/zinc/84/43/29/558844329.db2.gz BRAUZHKRULJPTI-UHFFFAOYSA-N 2 2 422.529 3.281 40 0 HGABLP Cc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)Nc1ccccc1CN1CC[NH+](C)CC1 ZINC000019286756 558860592 /nfs/dbraw/zinc/86/05/92/558860592.db2.gz YHYSWUOXAFNJOJ-GOSISDBHSA-N 2 2 405.546 3.367 40 0 HGABLP Cc1cc(Br)c2c(c1)[C@H](O)C(C[NH+]1CCCC1)(C[NH+]1CCCC1)CO2 ZINC000055120895 558873257 /nfs/dbraw/zinc/87/32/57/558873257.db2.gz PDXQJJMYQWQJPI-IBGZPJMESA-N 2 2 409.368 3.361 40 0 HGABLP CC(C)n1c[nH+]c2c1[C@H](C(=O)N1CC[NH+](C(C)C)CC1)N(Cc1ccccc1)CC2 ZINC000096037546 559091378 /nfs/dbraw/zinc/09/13/78/559091378.db2.gz XJTZJYYFGGDVBM-HSZRJFAPSA-N 2 2 409.578 3.116 40 0 HGABLP O[C@@]1(C[NH+]2CCC(F)(F)CC2)CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000257286415 559285552 /nfs/dbraw/zinc/28/55/52/559285552.db2.gz PLNKAFXSKHBSND-JOCHJYFZSA-N 2 2 417.500 3.329 40 0 HGABLP O[C@@]1(C[NH+]2CCC(F)(F)CC2)CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000257286415 559285553 /nfs/dbraw/zinc/28/55/53/559285553.db2.gz PLNKAFXSKHBSND-JOCHJYFZSA-N 2 2 417.500 3.329 40 0 HGABLP Cc1[nH+]ccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCCn2c(C)[nH+]c3ccccc32)[C@H]1O ZINC000257249248 568790062 /nfs/dbraw/zinc/79/00/62/568790062.db2.gz JHMFSJINXGACSU-MQSCRBSSSA-N 2 2 409.534 3.243 40 0 HGABLP Cn1[nH]c2c(c1=O)C[N@H+](Cc1cccnc1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306128601 568891491 /nfs/dbraw/zinc/89/14/91/568891491.db2.gz HFWAFBOZQSVRJH-UHFFFAOYSA-N 2 2 403.530 3.070 40 0 HGABLP Cn1[nH]c2c(c1=O)C[N@@H+](Cc1cccnc1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306128601 568891492 /nfs/dbraw/zinc/89/14/92/568891492.db2.gz HFWAFBOZQSVRJH-UHFFFAOYSA-N 2 2 403.530 3.070 40 0 HGABLP COc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)[C@@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000019079057 558838787 /nfs/dbraw/zinc/83/87/87/558838787.db2.gz XDNJWNOFZUCUIB-XXBNENTESA-N 2 2 404.514 3.387 40 0 HGABLP OC1(c2ccc(F)cc2)CC[NH+](Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000019348855 558874616 /nfs/dbraw/zinc/87/46/16/558874616.db2.gz XUAZDEGLXMTUHB-UHFFFAOYSA-N 2 2 414.521 3.020 40 0 HGABLP Cc1cc(Nc2ncccc2C)cc([C@@H]2CCC[N@H+](CCC(=O)N3CCOCC3)C2)[nH+]1 ZINC000072374863 558963144 /nfs/dbraw/zinc/96/31/44/558963144.db2.gz XVGBFDDQVYPTIF-HXUWFJFHSA-N 2 2 423.561 3.265 40 0 HGABLP Cc1cc(Nc2ncccc2C)cc([C@@H]2CCC[N@@H+](CCC(=O)N3CCOCC3)C2)[nH+]1 ZINC000072374863 558963147 /nfs/dbraw/zinc/96/31/47/558963147.db2.gz XVGBFDDQVYPTIF-HXUWFJFHSA-N 2 2 423.561 3.265 40 0 HGABLP C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@](O)(C[NH+]5CC5)CC[C@]34C)[C@H]1CC[C@@]2(O)C[NH+]1CC1 ZINC000257345105 559014558 /nfs/dbraw/zinc/01/45/58/559014558.db2.gz KDZDNXAVYMXPKT-LJESCRJWSA-N 2 2 402.623 3.123 40 0 HGABLP C[N@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000585270663 559116490 /nfs/dbraw/zinc/11/64/90/559116490.db2.gz AMIDBHGUPAPOKG-RUZDIDTESA-N 3 2 424.589 3.020 40 0 HGABLP C[N@@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000585270663 559116492 /nfs/dbraw/zinc/11/64/92/559116492.db2.gz AMIDBHGUPAPOKG-RUZDIDTESA-N 3 2 424.589 3.020 40 0 HGABLP Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)Cn2c(CC(C)C)[nH+]c3ccccc32)[C@H]1O ZINC000257239314 568787354 /nfs/dbraw/zinc/78/73/54/568787354.db2.gz HOTGNJPGECEMCU-KKLQWCBXSA-N 2 2 409.534 3.011 40 0 HGABLP CC1(C)CC([N@H+](Cc2ccncc2)Cc2cnc(N3CCOCC3)nc2)CC(C)(C)[NH2+]1 ZINC000057810702 558890716 /nfs/dbraw/zinc/89/07/16/558890716.db2.gz IGBZZPXKFKXCBO-UHFFFAOYSA-N 2 2 424.593 3.020 40 0 HGABLP CC1(C)CC([N@@H+](Cc2ccncc2)Cc2cnc(N3CCOCC3)nc2)CC(C)(C)[NH2+]1 ZINC000057810702 558890720 /nfs/dbraw/zinc/89/07/20/558890720.db2.gz IGBZZPXKFKXCBO-UHFFFAOYSA-N 2 2 424.593 3.020 40 0 HGABLP Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@@H+](CC(=O)N3CCC(C)CC3)C2)[nH+]1 ZINC000072374861 558963066 /nfs/dbraw/zinc/96/30/66/558963066.db2.gz BDXCVYQBWJEIKI-LJQANCHMSA-N 2 2 408.550 3.362 40 0 HGABLP Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@H+](CC(=O)N3CCC(C)CC3)C2)[nH+]1 ZINC000072374861 558963068 /nfs/dbraw/zinc/96/30/68/558963068.db2.gz BDXCVYQBWJEIKI-LJQANCHMSA-N 2 2 408.550 3.362 40 0 HGABLP COc1cc2c(cc1C[N@@H+]1CC[C@@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C1)OCCCO2 ZINC000257319226 568810067 /nfs/dbraw/zinc/81/00/67/568810067.db2.gz VRJRGUXSSZWPTA-MRXNPFEDSA-N 2 2 421.501 3.213 40 0 HGABLP COc1cc2c(cc1C[N@H+]1CC[C@@H](c3n[nH]cc3-c3cc[nH+]c(N)c3)C1)OCCCO2 ZINC000257319226 568810069 /nfs/dbraw/zinc/81/00/69/568810069.db2.gz VRJRGUXSSZWPTA-MRXNPFEDSA-N 2 2 421.501 3.213 40 0 HGABLP Cn1cc[nH+]c1[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000019291300 558863913 /nfs/dbraw/zinc/86/39/13/558863913.db2.gz ATHZOPWLUAKWTM-DHIUTWEWSA-N 2 2 421.589 3.061 40 0 HGABLP Cn1cc[nH+]c1[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000019291300 558863914 /nfs/dbraw/zinc/86/39/14/558863914.db2.gz ATHZOPWLUAKWTM-DHIUTWEWSA-N 2 2 421.589 3.061 40 0 HGABLP COCCc1ncc(C[NH+]2CCC(c3cc(-c4ccc(N)[nH+]c4)cc(C)n3)CC2)cn1 ZINC000019692142 558961805 /nfs/dbraw/zinc/96/18/05/558961805.db2.gz FIYGJGFHFXJBHR-UHFFFAOYSA-N 2 2 418.545 3.393 40 0 HGABLP Cc1[nH+]c2cc(NC(=O)[C@@H]3CCC[N@H+](CCC(N)=O)C3)ccc2n1C1CCCCC1 ZINC000019717590 558980499 /nfs/dbraw/zinc/98/04/99/558980499.db2.gz XHDJGOKZMBUDEI-QGZVFWFLSA-N 2 2 411.550 3.376 40 0 HGABLP Cc1[nH+]c2cc(NC(=O)[C@@H]3CCC[N@@H+](CCC(N)=O)C3)ccc2n1C1CCCCC1 ZINC000019717590 558980500 /nfs/dbraw/zinc/98/05/00/558980500.db2.gz XHDJGOKZMBUDEI-QGZVFWFLSA-N 2 2 411.550 3.376 40 0 HGABLP Cc1cnc(C(=O)N2CCO[C@@H](c3cc(Nc4cccc(C)[nH+]4)cc(C)[nH+]3)C2)cn1 ZINC000257242471 568788040 /nfs/dbraw/zinc/78/80/40/568788040.db2.gz ICSDPQDAYBAXRH-HXUWFJFHSA-N 2 2 404.474 3.149 40 0 HGABLP Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)CCCn2c3ccccc3[nH+]c2C(C)C)[C@H]1O ZINC000257246285 568789229 /nfs/dbraw/zinc/78/92/29/568789229.db2.gz ITLCEHJZBSUWRT-SYYKKAFVSA-N 2 2 409.534 3.326 40 0 HGABLP Cc1cccc(C[N@H+]2Cc3c(=O)n(C)[nH]c3C3(CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000306139823 568901624 /nfs/dbraw/zinc/90/16/24/568901624.db2.gz UBOPAYCOJBFWHU-UHFFFAOYSA-N 2 2 417.557 3.379 40 0 HGABLP Cc1cccc(C[N@@H+]2Cc3c(=O)n(C)[nH]c3C3(CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000306139823 568901626 /nfs/dbraw/zinc/90/16/26/568901626.db2.gz UBOPAYCOJBFWHU-UHFFFAOYSA-N 2 2 417.557 3.379 40 0 HGABLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C(C)C)[C@@H](C(=O)N(C)C)c2cncn23)cc1C ZINC000306141693 568903320 /nfs/dbraw/zinc/90/33/20/568903320.db2.gz WEDYNSPETDNYLO-HSZRJFAPSA-N 2 2 423.605 3.345 40 0 HGABLP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C(C)C)[C@@H](C(=O)N(C)C)c2cncn23)cc1C ZINC000306141693 568903321 /nfs/dbraw/zinc/90/33/21/568903321.db2.gz WEDYNSPETDNYLO-HSZRJFAPSA-N 2 2 423.605 3.345 40 0 HGABLP COc1cc(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)cc(OC)c1 ZINC000329062962 568975051 /nfs/dbraw/zinc/97/50/51/568975051.db2.gz XBMCIMCMPCLGBU-UHFFFAOYSA-N 2 2 407.518 3.112 40 0 HGABLP C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](O)(C[NH+]5CC5)CC[C@@]43C)[C@H]1CC[C@@]2(O)C[NH+]1CC1 ZINC000028296278 569350268 /nfs/dbraw/zinc/35/02/68/569350268.db2.gz KDZDNXAVYMXPKT-HTVKZPTGSA-N 2 2 402.623 3.123 40 0 HGABLP C[NH+](C)CCNc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329016879 571304502 /nfs/dbraw/zinc/30/45/02/571304502.db2.gz NJRULTUFHZJKDJ-UHFFFAOYSA-N 2 2 421.467 3.789 40 0 HGABLP COc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)[C@@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000019079059 558838862 /nfs/dbraw/zinc/83/88/62/558838862.db2.gz XDNJWNOFZUCUIB-AUSIDOKSSA-N 2 2 404.514 3.387 40 0 HGABLP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019583329 558937827 /nfs/dbraw/zinc/93/78/27/558937827.db2.gz PMLMPTWKKQLIQR-QZTJIDSGSA-N 2 2 401.505 3.132 40 0 HGABLP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019583329 558937831 /nfs/dbraw/zinc/93/78/31/558937831.db2.gz PMLMPTWKKQLIQR-QZTJIDSGSA-N 2 2 401.505 3.132 40 0 HGABLP Cc1nn(C)c(C)c1NC(=O)CC[N@@H+]1CCC[C@@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000019716001 558977559 /nfs/dbraw/zinc/97/75/59/558977559.db2.gz GWLAPOYRETUPDP-INIZCTEOSA-N 2 2 412.513 3.336 40 0 HGABLP Cc1nn(C)c(C)c1NC(=O)CC[N@H+]1CCC[C@@H](Cc2[nH]c3ccc(F)cc3[nH+]2)C1 ZINC000019716001 558977561 /nfs/dbraw/zinc/97/75/61/558977561.db2.gz GWLAPOYRETUPDP-INIZCTEOSA-N 2 2 412.513 3.336 40 0 HGABLP O[C@]1(C[NH+]2CCC(F)(F)CC2)CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000257286416 559285510 /nfs/dbraw/zinc/28/55/10/559285510.db2.gz PLNKAFXSKHBSND-QFIPXVFZSA-N 2 2 417.500 3.329 40 0 HGABLP O[C@]1(C[NH+]2CCC(F)(F)CC2)CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000257286416 559285511 /nfs/dbraw/zinc/28/55/11/559285511.db2.gz PLNKAFXSKHBSND-QFIPXVFZSA-N 2 2 417.500 3.329 40 0 HGABLP C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](O)(C[NH+]5CC5)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C[NH+]1CC1 ZINC000118916201 568420322 /nfs/dbraw/zinc/42/03/22/568420322.db2.gz KDZDNXAVYMXPKT-PVGGLHBQSA-N 2 2 402.623 3.123 40 0 HGABLP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccccc4)n3)cn2)CC1 ZINC000049155096 291235721 /nfs/dbraw/zinc/23/57/21/291235721.db2.gz OWFJEECCTFLGSS-FQEVSTJZSA-N 2 2 404.518 3.221 40 0 biogenic,in-vitro HGABLP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccccc4)n3)cn2)CC1 ZINC000049155096 291235724 /nfs/dbraw/zinc/23/57/24/291235724.db2.gz OWFJEECCTFLGSS-FQEVSTJZSA-N 2 2 404.518 3.221 40 0 biogenic,in-vitro HGABLP CC1(C)CC(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)[nH+]2)CC(C)(C)[NH2+]1 ZINC000032603931 520288090 /nfs/dbraw/zinc/28/80/90/520288090.db2.gz VYCYNCJPXCHHCM-UHFFFAOYSA-N 2 2 411.554 3.173 40 0 HGABLP Cc1cc(-c2cnc(N3CCCC3)nc2C2CC[NH+](Cc3c[nH+]c(C)n3C)CC2)on1 ZINC000019123280 558844048 /nfs/dbraw/zinc/84/40/48/558844048.db2.gz OXAYQWPOOKUULM-UHFFFAOYSA-N 2 2 421.549 3.462 40 0 HGABLP Cc1ccc2[nH+]cc(C[NH+]3CCC4(CC(NS(=O)(=O)c5ccccc5)C4)CC3)n2c1 ZINC000585103017 559026380 /nfs/dbraw/zinc/02/63/80/559026380.db2.gz KXVIGNJSHAKWIC-UHFFFAOYSA-N 2 2 424.570 3.366 40 0 HGABLP COCCNC(=O)C[N@@H+]1CCC[C@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000257252296 568790899 /nfs/dbraw/zinc/79/08/99/568790899.db2.gz JUGTWUKLINTLRZ-KRWDZBQOSA-N 2 2 400.498 3.215 40 0 HGABLP COCCNC(=O)C[N@H+]1CCC[C@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000257252296 568790900 /nfs/dbraw/zinc/79/09/00/568790900.db2.gz JUGTWUKLINTLRZ-KRWDZBQOSA-N 2 2 400.498 3.215 40 0 HGABLP COc1ccc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)cc1C[NH+]1CCOCC1 ZINC000019208592 558847568 /nfs/dbraw/zinc/84/75/68/558847568.db2.gz AXMOSZUYIQMQJA-UHFFFAOYSA-N 2 2 410.558 3.319 40 0 HGABLP O=C(C[NH+]1CCC2(CC1)Nc1ccccc1C1=[NH+]CCCN12)Nc1ccccc1F ZINC000019375111 558881495 /nfs/dbraw/zinc/88/14/95/558881495.db2.gz OAONPUYUWRXAQE-UHFFFAOYSA-N 2 2 407.493 3.134 40 0 HGABLP Cc1ccc[nH+]c1Nc1ccc(C2CC[NH+](CC(=O)NCc3ccccn3)CC2)nc1 ZINC000072374231 558961681 /nfs/dbraw/zinc/96/16/81/558961681.db2.gz YXLPYXHHZNXVGA-UHFFFAOYSA-N 2 2 416.529 3.419 40 0 HGABLP O[C@]1(COc2ccccc2)CCC[N@H+](Cc2cccc(OCCn3cc[nH+]c3)c2)C1 ZINC000257328652 559283212 /nfs/dbraw/zinc/28/32/12/559283212.db2.gz XGOPGAGAHXOODP-XMMPIXPASA-N 2 2 407.514 3.368 40 0 HGABLP O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCCn3cc[nH+]c3)c2)C1 ZINC000257328652 559283213 /nfs/dbraw/zinc/28/32/13/559283213.db2.gz XGOPGAGAHXOODP-XMMPIXPASA-N 2 2 407.514 3.368 40 0 HGABLP COC[C@H](C)NC(=O)C[NH+]1CCC(c2cc(Nc3cccc(C)n3)cc(C)[nH+]2)CC1 ZINC000257259798 568792830 /nfs/dbraw/zinc/79/28/30/568792830.db2.gz LABLMRIPAUYSOJ-SFHVURJKSA-N 2 2 411.550 3.168 40 0 HGABLP COC[C@H](C)NC(=O)C[NH+]1CCC(c2cc(Nc3cccc(C)[nH+]3)cc(C)[nH+]2)CC1 ZINC000257259798 568792831 /nfs/dbraw/zinc/79/28/31/568792831.db2.gz LABLMRIPAUYSOJ-SFHVURJKSA-N 3 2 411.550 3.168 40 0 HGABLP COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCC[N@H+](CC(=O)N4CCCC4=O)C3)c2)c1 ZINC000257305682 568806092 /nfs/dbraw/zinc/80/60/92/568806092.db2.gz SRAKYJMOUAZRQF-GOSISDBHSA-N 2 2 422.529 3.471 40 0 HGABLP COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCC[N@@H+](CC(=O)N4CCCC4=O)C3)c2)c1 ZINC000257305682 568806095 /nfs/dbraw/zinc/80/60/95/568806095.db2.gz SRAKYJMOUAZRQF-GOSISDBHSA-N 2 2 422.529 3.471 40 0 HGABLP COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)cc1OC ZINC000329045436 568974576 /nfs/dbraw/zinc/97/45/76/568974576.db2.gz TVBSMUTYKSBVET-UHFFFAOYSA-N 2 2 407.518 3.112 40 0 HGABLP