smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(C[N@H+](CCOC)CC2CCN(Cc3ccccc3F)CC2)cc1CO ZINC000012386412 520963668 /nfs/dbraw/zinc/96/36/68/520963668.db2.gz UYLUUYRROBLEKI-UHFFFAOYSA-N 1 3 444.591 4.077 50 0 IIAAHO CCOc1ccc(C[N@@H+](CCOC)CC2CCN(Cc3ccccc3F)CC2)cc1CO ZINC000012386412 520963673 /nfs/dbraw/zinc/96/36/73/520963673.db2.gz UYLUUYRROBLEKI-UHFFFAOYSA-N 1 3 444.591 4.077 50 0 IIAAHO CCCCc1nc(CN(CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)c[nH]1 ZINC000012301937 521292282 /nfs/dbraw/zinc/29/22/82/521292282.db2.gz UGGJYUXUGJSWJG-UHFFFAOYSA-N 1 3 428.621 4.122 50 0 IIAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012314271 521654357 /nfs/dbraw/zinc/65/43/57/521654357.db2.gz DZOLDJYSJACEEE-NRFANRHFSA-N 1 3 425.539 4.298 50 0 IIAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012314271 521654361 /nfs/dbraw/zinc/65/43/61/521654361.db2.gz DZOLDJYSJACEEE-NRFANRHFSA-N 1 3 425.539 4.298 50 0 IIAAHO CN(C)CCNC(=O)c1ccc(OC2CC[NH+]([C@@H]3CCCC(C)(C)C3)CC2)c(Cl)c1 ZINC000012573876 521785331 /nfs/dbraw/zinc/78/53/31/521785331.db2.gz GQDCJFXJLGQVQY-LJQANCHMSA-N 1 3 436.040 4.443 50 0 IIAAHO COCCCC1CC[NH+](Cc2ccc(OC[C@H](O)CN(C)Cc3ccccc3)cc2)CC1 ZINC000012299243 523087827 /nfs/dbraw/zinc/08/78/27/523087827.db2.gz MJSGRPGGLKXVSE-AREMUKBSSA-N 1 3 440.628 4.197 50 0 IIAAHO COCC[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012758546 523752257 /nfs/dbraw/zinc/75/22/57/523752257.db2.gz RDLPWQIOKRQVNF-DEOSSOPVSA-N 1 3 444.623 4.200 50 0 IIAAHO COCC[N@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012758546 523752261 /nfs/dbraw/zinc/75/22/61/523752261.db2.gz RDLPWQIOKRQVNF-DEOSSOPVSA-N 1 3 444.623 4.200 50 0 IIAAHO COCC[N@@H+]1CCC[C@@H](CNCc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)C1 ZINC000012835580 523824085 /nfs/dbraw/zinc/82/40/85/523824085.db2.gz LCRFBQZLFWFDCF-NRFANRHFSA-N 1 3 434.584 4.327 50 0 IIAAHO COCC[N@H+]1CCC[C@@H](CNCc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)C1 ZINC000012835580 523824090 /nfs/dbraw/zinc/82/40/90/523824090.db2.gz LCRFBQZLFWFDCF-NRFANRHFSA-N 1 3 434.584 4.327 50 0 IIAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCc1ccccc1 ZINC000011879503 556371669 /nfs/dbraw/zinc/37/16/69/556371669.db2.gz BWMJXJRGKIIERS-QHCPKHFHSA-N 1 3 425.592 4.061 50 0 IIAAHO COc1cc(CNCc2cccc(C)c2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000014962675 556464668 /nfs/dbraw/zinc/46/46/68/556464668.db2.gz GWSMDOAHDLUZJU-XMMPIXPASA-N 1 3 426.601 4.298 50 0 IIAAHO COc1cc(CNCc2cccc(C)c2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000014962675 556464669 /nfs/dbraw/zinc/46/46/69/556464669.db2.gz GWSMDOAHDLUZJU-XMMPIXPASA-N 1 3 426.601 4.298 50 0 IIAAHO Cc1ccc(C)c(C[NH+]2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)c1 ZINC000015063357 556490966 /nfs/dbraw/zinc/49/09/66/556490966.db2.gz FLTIFSGJKMJDGV-UHFFFAOYSA-N 1 3 444.019 4.292 50 0 IIAAHO COc1cc(CNCc2cccc(Cl)c2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000012301936 522466515 /nfs/dbraw/zinc/46/65/15/522466515.db2.gz KRFQWGNBMLUHHM-QFIPXVFZSA-N 1 3 432.992 4.254 50 0 IIAAHO COc1ccccc1CN1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cc3ccccc3o2)C1 ZINC000012056891 556394493 /nfs/dbraw/zinc/39/44/93/556394493.db2.gz UUJOQRQVOHMWTE-NRFANRHFSA-N 1 3 449.595 4.357 50 0 IIAAHO c1cc2nonc2c(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000023360803 557087920 /nfs/dbraw/zinc/08/79/20/557087920.db2.gz XJYXROKRTJDSNJ-OAQYLSRUSA-N 1 3 425.621 4.165 50 0 IIAAHO c1cc2nonc2c(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000023360803 557087923 /nfs/dbraw/zinc/08/79/23/557087923.db2.gz XJYXROKRTJDSNJ-OAQYLSRUSA-N 1 3 425.621 4.165 50 0 IIAAHO CC1(C)CC(NC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000007010014 569118163 /nfs/dbraw/zinc/11/81/63/569118163.db2.gz ZJOMHFUVYNCKBT-JOCHJYFZSA-N 1 3 432.555 4.331 50 0 IIAAHO CC1(C)CC([NH2+]C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC(C)(C)N1 ZINC000007010014 569118164 /nfs/dbraw/zinc/11/81/64/569118164.db2.gz ZJOMHFUVYNCKBT-JOCHJYFZSA-N 1 3 432.555 4.331 50 0 IIAAHO CCOC(=O)N1CCC([N@H+](CC(C)C)CC2CCN(Cc3ccccc3OC)CC2)CC1 ZINC000012703796 520923769 /nfs/dbraw/zinc/92/37/69/520923769.db2.gz KVHODWWMJMKROL-UHFFFAOYSA-N 1 3 445.648 4.486 50 0 IIAAHO CCOC(=O)N1CCC([N@@H+](CC(C)C)CC2CCN(Cc3ccccc3OC)CC2)CC1 ZINC000012703796 520923776 /nfs/dbraw/zinc/92/37/76/520923776.db2.gz KVHODWWMJMKROL-UHFFFAOYSA-N 1 3 445.648 4.486 50 0 IIAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccc3cc(Cl)ccc3n2)CC1 ZINC000012434966 521655059 /nfs/dbraw/zinc/65/50/59/521655059.db2.gz RITNWOXUNBJMTI-QHCPKHFHSA-N 1 3 443.035 4.481 50 0 IIAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccc3cc(Cl)ccc3n2)CC1 ZINC000012434966 521655062 /nfs/dbraw/zinc/65/50/62/521655062.db2.gz RITNWOXUNBJMTI-QHCPKHFHSA-N 1 3 443.035 4.481 50 0 IIAAHO CN(C)CCNC(=O)c1ccc(OC2CC[NH+]([C@H]3CCCC(C)(C)C3)CC2)c(Cl)c1 ZINC000012573884 521784014 /nfs/dbraw/zinc/78/40/14/521784014.db2.gz GQDCJFXJLGQVQY-IBGZPJMESA-N 1 3 436.040 4.443 50 0 IIAAHO CCn1nc(C)c(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1C ZINC000020779665 523636983 /nfs/dbraw/zinc/63/69/83/523636983.db2.gz QGQPPCCAXYRVRU-DEOSSOPVSA-N 1 3 429.697 4.462 50 0 IIAAHO CCn1nc(C)c(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)c1C ZINC000020779665 523636995 /nfs/dbraw/zinc/63/69/95/523636995.db2.gz QGQPPCCAXYRVRU-DEOSSOPVSA-N 1 3 429.697 4.462 50 0 IIAAHO Fc1ccccc1CN1CCC(C[N@@H+](Cc2ccc3nonc3c2)C[C@H]2CCCO2)CC1 ZINC000012763144 526409744 /nfs/dbraw/zinc/40/97/44/526409744.db2.gz PBUJGNZPMWVERQ-JOCHJYFZSA-N 1 3 438.547 4.255 50 0 IIAAHO Fc1ccccc1CN1CCC(C[N@H+](Cc2ccc3nonc3c2)C[C@H]2CCCO2)CC1 ZINC000012763144 526409752 /nfs/dbraw/zinc/40/97/52/526409752.db2.gz PBUJGNZPMWVERQ-JOCHJYFZSA-N 1 3 438.547 4.255 50 0 IIAAHO O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1[C@H]1CCN(Cc2ccccc2)C1 ZINC000014888594 556455875 /nfs/dbraw/zinc/45/58/75/556455875.db2.gz OVSAVFPCSWXTAE-GOTSBHOMSA-N 1 3 445.529 4.451 50 0 IIAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000012303552 521654370 /nfs/dbraw/zinc/65/43/70/521654370.db2.gz NAIAFWATWVDJDV-FQEVSTJZSA-N 1 3 425.539 4.298 50 0 IIAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000012303552 521654372 /nfs/dbraw/zinc/65/43/72/521654372.db2.gz NAIAFWATWVDJDV-FQEVSTJZSA-N 1 3 425.539 4.298 50 0 IIAAHO COc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c2ccccc12 ZINC000011933165 556376904 /nfs/dbraw/zinc/37/69/04/556376904.db2.gz YSHHYWFRBSENMH-OAQYLSRUSA-N 1 3 437.628 4.393 50 0 IIAAHO COc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c2ccccc12 ZINC000011933165 556376906 /nfs/dbraw/zinc/37/69/06/556376906.db2.gz YSHHYWFRBSENMH-OAQYLSRUSA-N 1 3 437.628 4.393 50 0 IIAAHO CN1CCCN(C(=O)[C@@H]2CC23CC[NH+](Cc2cccc(Oc4ccccc4)c2)CC3)CC1 ZINC000012028135 556388157 /nfs/dbraw/zinc/38/81/57/556388157.db2.gz UBNUXBIWYOHUHO-VWLOTQADSA-N 1 3 433.596 4.245 50 0 IIAAHO COc1ccc(CNCc2cccc(C)c2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011816595 556658537 /nfs/dbraw/zinc/65/85/37/556658537.db2.gz RQNSCKFGSKBMFW-XMMPIXPASA-N 1 3 426.601 4.299 50 0 IIAAHO CCC[NH+]1CCC(NC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)CC1 ZINC000012581723 519846335 /nfs/dbraw/zinc/84/63/35/519846335.db2.gz ODDJQRVXTORRIV-UHFFFAOYSA-N 1 3 449.639 4.377 50 0 IIAAHO COc1cc(OC)c(OC)cc1CN(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012201944 522819984 /nfs/dbraw/zinc/81/99/84/522819984.db2.gz LPIRKGZACMTBOC-HSZRJFAPSA-N 1 3 446.632 4.348 50 0 IIAAHO COCCCC1CC[NH+](Cc2ccc(OC[C@@H](O)CN(C)Cc3ccccc3)cc2)CC1 ZINC000012299242 523088103 /nfs/dbraw/zinc/08/81/03/523088103.db2.gz MJSGRPGGLKXVSE-SANMLTNESA-N 1 3 440.628 4.197 50 0 IIAAHO COCC[N@@H+]1CCC[C@H](CNCc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)C1 ZINC000012835583 523829023 /nfs/dbraw/zinc/82/90/23/523829023.db2.gz LCRFBQZLFWFDCF-OAQYLSRUSA-N 1 3 434.584 4.327 50 0 IIAAHO COCC[N@H+]1CCC[C@H](CNCc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)C1 ZINC000012835583 523829026 /nfs/dbraw/zinc/82/90/26/523829026.db2.gz LCRFBQZLFWFDCF-OAQYLSRUSA-N 1 3 434.584 4.327 50 0 IIAAHO COc1ccc(CCN2CCC[C@@H](C[N@H+](C)Cc3ccc(OC(C)C)c(CO)c3)C2)cc1 ZINC000012429688 523949391 /nfs/dbraw/zinc/94/93/91/523949391.db2.gz KPVNTVCXQZJLRP-DEOSSOPVSA-N 1 3 440.628 4.361 50 0 IIAAHO COc1ccc(CCN2CCC[C@@H](C[N@@H+](C)Cc3ccc(OC(C)C)c(CO)c3)C2)cc1 ZINC000012429688 523949396 /nfs/dbraw/zinc/94/93/96/523949396.db2.gz KPVNTVCXQZJLRP-DEOSSOPVSA-N 1 3 440.628 4.361 50 0 IIAAHO COc1ccc(C[N@H+](C)C2CCCCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012300010 524001777 /nfs/dbraw/zinc/00/17/77/524001777.db2.gz MVCFNDDMAJUCOX-DEOSSOPVSA-N 1 3 426.601 4.331 50 0 IIAAHO COc1ccc(C[N@@H+](C)C2CCCCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012300010 524001781 /nfs/dbraw/zinc/00/17/81/524001781.db2.gz MVCFNDDMAJUCOX-DEOSSOPVSA-N 1 3 426.601 4.331 50 0 IIAAHO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](CCC(=O)N(C)C2CCN(C)CC2)C1 ZINC000012753239 525650399 /nfs/dbraw/zinc/65/03/99/525650399.db2.gz KQTQALWTGYNXFX-NRFANRHFSA-N 1 3 437.628 4.393 50 0 IIAAHO COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](CCC(=O)N(C)C2CCN(C)CC2)C1 ZINC000012753239 525650406 /nfs/dbraw/zinc/65/04/06/525650406.db2.gz KQTQALWTGYNXFX-NRFANRHFSA-N 1 3 437.628 4.393 50 0 IIAAHO Cc1ccc([C@H]2CN(Cc3cccn3C)C[C@@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000097954618 556850458 /nfs/dbraw/zinc/85/04/58/556850458.db2.gz IFCGKIDDASYPJS-LBNVMWSVSA-N 1 3 428.624 4.371 50 0 IIAAHO c1cc2c(c(CN(CCN3CCCCC3)C[C@H]3CCC[N@@H+](C4CCCC4)C3)c1)OCO2 ZINC000019733273 556877025 /nfs/dbraw/zinc/87/70/25/556877025.db2.gz HZYUKNXZFFEUQD-JOCHJYFZSA-N 1 3 427.633 4.358 50 0 IIAAHO c1cc2c(c(CN(CCN3CCCCC3)C[C@H]3CCC[N@H+](C4CCCC4)C3)c1)OCO2 ZINC000019733273 556877027 /nfs/dbraw/zinc/87/70/27/556877027.db2.gz HZYUKNXZFFEUQD-JOCHJYFZSA-N 1 3 427.633 4.358 50 0 IIAAHO COCc1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000015068193 568635111 /nfs/dbraw/zinc/63/51/11/568635111.db2.gz NLVYGMMHCXWEAA-VWLOTQADSA-N 1 3 430.633 4.477 50 0 IIAAHO COc1ccc(CN(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c(OC)c1OC ZINC000012467441 524001661 /nfs/dbraw/zinc/00/16/61/524001661.db2.gz IBXBOGLIGASKGC-UHFFFAOYSA-N 1 3 430.564 4.238 50 0 IIAAHO C[C@H](NCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccs1 ZINC000012533928 525308748 /nfs/dbraw/zinc/30/87/48/525308748.db2.gz UXSVFQVYIFBDJO-FQEVSTJZSA-N 1 3 434.609 4.360 50 0 IIAAHO CC(C)=CCC[C@H](C)C[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)C(=O)N2CCC(C)C ZINC000014530564 556420029 /nfs/dbraw/zinc/42/00/29/556420029.db2.gz INOTVUSSZRKMHO-QFIPXVFZSA-N 1 3 434.669 4.075 50 0 IIAAHO c1ccc2c(c1)CC([NH+]1CCC(CN(Cc3ccc4nonc4c3)C[C@H]3CCCO3)CC1)C2 ZINC000014957617 556462626 /nfs/dbraw/zinc/46/26/26/556462626.db2.gz KRGMMZFWWJRCFN-RUZDIDTESA-N 1 3 446.595 4.083 50 0 IIAAHO COc1cc(CNCc2cccc(C)c2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000014962671 556464687 /nfs/dbraw/zinc/46/46/87/556464687.db2.gz GWSMDOAHDLUZJU-DEOSSOPVSA-N 1 3 426.601 4.298 50 0 IIAAHO COc1cc(CNCc2cccc(C)c2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000014962671 556464689 /nfs/dbraw/zinc/46/46/89/556464689.db2.gz GWSMDOAHDLUZJU-DEOSSOPVSA-N 1 3 426.601 4.298 50 0 IIAAHO COc1ccc(CN(C)Cc2ccccc2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000014975415 556468343 /nfs/dbraw/zinc/46/83/43/556468343.db2.gz KOCUTNXTNZUUFN-VWLOTQADSA-N 1 3 434.580 4.199 50 0 IIAAHO COc1ccc(CN(C)Cc2ccccc2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000014975415 556468344 /nfs/dbraw/zinc/46/83/44/556468344.db2.gz KOCUTNXTNZUUFN-VWLOTQADSA-N 1 3 434.580 4.199 50 0 IIAAHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000012303551 521634516 /nfs/dbraw/zinc/63/45/16/521634516.db2.gz NAIAFWATWVDJDV-HXUWFJFHSA-N 1 3 425.539 4.298 50 0 IIAAHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000012303551 521634520 /nfs/dbraw/zinc/63/45/20/521634520.db2.gz NAIAFWATWVDJDV-HXUWFJFHSA-N 1 3 425.539 4.298 50 0 IIAAHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccc3cc(Cl)ccc3n2)CC1 ZINC000012434965 521634814 /nfs/dbraw/zinc/63/48/14/521634814.db2.gz RITNWOXUNBJMTI-HSZRJFAPSA-N 1 3 443.035 4.481 50 0 IIAAHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccc3cc(Cl)ccc3n2)CC1 ZINC000012434965 521634819 /nfs/dbraw/zinc/63/48/19/521634819.db2.gz RITNWOXUNBJMTI-HSZRJFAPSA-N 1 3 443.035 4.481 50 0 IIAAHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012594669 523045226 /nfs/dbraw/zinc/04/52/26/523045226.db2.gz YOVWNJUSEWGOPL-XMMPIXPASA-N 1 3 449.639 4.186 50 0 IIAAHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012594669 523045237 /nfs/dbraw/zinc/04/52/37/523045237.db2.gz YOVWNJUSEWGOPL-XMMPIXPASA-N 1 3 449.639 4.186 50 0 IIAAHO COc1ccc(CNCc2cccc(F)c2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012714015 524073620 /nfs/dbraw/zinc/07/36/20/524073620.db2.gz OXWNKXIGRPBBSD-QHCPKHFHSA-N 1 3 430.564 4.130 50 0 IIAAHO Cc1cc([C@@H]2C[C@@H](C(=O)NCCN(C)C)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716794 555866422 /nfs/dbraw/zinc/86/64/22/555866422.db2.gz PHVGGZWKGIOIJO-NHCUHLMSSA-N 1 3 431.983 4.071 50 0 IIAAHO Cc1cc([C@@H]2C[C@@H](C(=O)NCCN(C)C)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716794 555866423 /nfs/dbraw/zinc/86/64/23/555866423.db2.gz PHVGGZWKGIOIJO-NHCUHLMSSA-N 1 3 431.983 4.071 50 0 IIAAHO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000253398855 569264833 /nfs/dbraw/zinc/26/48/33/569264833.db2.gz CITUMNNQLWFKLD-AZGAKELHSA-N 1 3 431.624 4.431 50 0 biogenic IIAAHO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000253398855 569264835 /nfs/dbraw/zinc/26/48/35/569264835.db2.gz CITUMNNQLWFKLD-AZGAKELHSA-N 1 3 431.624 4.431 50 0 biogenic IIAAHO CC(C)N1CCC([N@@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000020777443 519670467 /nfs/dbraw/zinc/67/04/67/519670467.db2.gz WHNYRJMWXVIQHO-QHCPKHFHSA-N 1 3 438.582 4.165 50 0 IIAAHO CC(C)N1CCC([N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000020777443 519670469 /nfs/dbraw/zinc/67/04/69/519670469.db2.gz WHNYRJMWXVIQHO-QHCPKHFHSA-N 1 3 438.582 4.165 50 0 IIAAHO CC(C)[NH+]1CCC(N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000020777443 519670472 /nfs/dbraw/zinc/67/04/72/519670472.db2.gz WHNYRJMWXVIQHO-QHCPKHFHSA-N 1 3 438.582 4.165 50 0 IIAAHO CN(C)c1ncc(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)s1 ZINC000020912481 522339340 /nfs/dbraw/zinc/33/93/40/522339340.db2.gz PCYRRVOHANYCBV-OAQYLSRUSA-N 1 3 433.710 4.152 50 0 IIAAHO CN(C)c1ncc(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)s1 ZINC000020912481 522339352 /nfs/dbraw/zinc/33/93/52/522339352.db2.gz PCYRRVOHANYCBV-OAQYLSRUSA-N 1 3 433.710 4.152 50 0 IIAAHO COc1cc(CN(C)Cc2ccccc2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012457806 522354498 /nfs/dbraw/zinc/35/44/98/522354498.db2.gz OEBJTPQEBVEBPR-XMMPIXPASA-N 1 3 426.601 4.333 50 0 IIAAHO C[N@@H+](Cc1ccc(N2CCNC2=O)cc1)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000012711220 523261368 /nfs/dbraw/zinc/26/13/68/523261368.db2.gz AFOCWXLWQZGHIC-QFIPXVFZSA-N 1 3 441.019 4.256 50 0 IIAAHO C[N@H+](Cc1ccc(N2CCNC2=O)cc1)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000012711220 523261373 /nfs/dbraw/zinc/26/13/73/523261373.db2.gz AFOCWXLWQZGHIC-QFIPXVFZSA-N 1 3 441.019 4.256 50 0 IIAAHO COc1ccc(CCN2CCC[C@H](C[N@H+](C)Cc3ccc(OC(C)C)c(CO)c3)C2)cc1 ZINC000012429689 523948891 /nfs/dbraw/zinc/94/88/91/523948891.db2.gz KPVNTVCXQZJLRP-XMMPIXPASA-N 1 3 440.628 4.361 50 0 IIAAHO COc1ccc(CCN2CCC[C@H](C[N@@H+](C)Cc3ccc(OC(C)C)c(CO)c3)C2)cc1 ZINC000012429689 523948895 /nfs/dbraw/zinc/94/88/95/523948895.db2.gz KPVNTVCXQZJLRP-XMMPIXPASA-N 1 3 440.628 4.361 50 0 IIAAHO O[C@H](COc1ccc(C[NH2+]CCc2ccc(C(F)(F)F)cc2)cc1)CN1CCCCC1 ZINC000012719063 526289481 /nfs/dbraw/zinc/28/94/81/526289481.db2.gz RHHUEMKHXMZVIG-QFIPXVFZSA-N 1 3 436.518 4.263 50 0 IIAAHO CCn1cc(C[N@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c(C)n1 ZINC000011844072 556367034 /nfs/dbraw/zinc/36/70/34/556367034.db2.gz DIKZVMMSHCWWSI-DEOSSOPVSA-N 1 3 428.596 4.244 50 0 IIAAHO CCn1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c(C)n1 ZINC000011844072 556367036 /nfs/dbraw/zinc/36/70/36/556367036.db2.gz DIKZVMMSHCWWSI-DEOSSOPVSA-N 1 3 428.596 4.244 50 0 IIAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc(Cl)cc1 ZINC000012725726 562982992 /nfs/dbraw/zinc/98/29/92/562982992.db2.gz UCIMUKXLDLVTCK-IBGZPJMESA-N 1 3 431.983 4.395 50 0 IIAAHO CC(C)=CCC[C@@H](C)C[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)C(=O)N2CCC(C)C ZINC000014530565 519419028 /nfs/dbraw/zinc/41/90/28/519419028.db2.gz INOTVUSSZRKMHO-JOCHJYFZSA-N 1 3 434.669 4.075 50 0 IIAAHO C[N@H+](C[C@H](O)COc1ccccc1CN1CCC(c2ccncc2)CC1)C1CCCCC1 ZINC000012436311 523100270 /nfs/dbraw/zinc/10/02/70/523100270.db2.gz RKMXLBZHEFAEJT-SANMLTNESA-N 1 3 437.628 4.465 50 0 IIAAHO C[N@@H+](C[C@H](O)COc1ccccc1CN1CCC(c2ccncc2)CC1)C1CCCCC1 ZINC000012436311 523100277 /nfs/dbraw/zinc/10/02/77/523100277.db2.gz RKMXLBZHEFAEJT-SANMLTNESA-N 1 3 437.628 4.465 50 0 IIAAHO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[C@H]1CCCN(Cc2ccco2)C1 ZINC000011773456 556350657 /nfs/dbraw/zinc/35/06/57/556350657.db2.gz ZIXGOXOYWXKOKO-QHCPKHFHSA-N 1 3 441.591 4.044 50 0 IIAAHO COc1cc(CNCc2ccccc2C)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011838937 556363797 /nfs/dbraw/zinc/36/37/97/556363797.db2.gz IMPBQOKEXJOVOS-XMMPIXPASA-N 1 3 426.601 4.298 50 0 IIAAHO COc1cc(CNCc2ccccc2C)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011838937 556363800 /nfs/dbraw/zinc/36/38/00/556363800.db2.gz IMPBQOKEXJOVOS-XMMPIXPASA-N 1 3 426.601 4.298 50 0 IIAAHO COc1cc(CNCc2ccccc2C)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011838934 556363920 /nfs/dbraw/zinc/36/39/20/556363920.db2.gz IMPBQOKEXJOVOS-DEOSSOPVSA-N 1 3 426.601 4.298 50 0 IIAAHO COc1cc(CNCc2ccccc2C)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011838934 556363921 /nfs/dbraw/zinc/36/39/21/556363921.db2.gz IMPBQOKEXJOVOS-DEOSSOPVSA-N 1 3 426.601 4.298 50 0 IIAAHO COc1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc(OC)c1OC ZINC000014962610 556464523 /nfs/dbraw/zinc/46/45/23/556464523.db2.gz PDXRPHNYSGPRGI-QHCPKHFHSA-N 1 3 446.632 4.348 50 0 IIAAHO COCC[N@@H+](Cc1cccn1-c1ccccn1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012431905 523757678 /nfs/dbraw/zinc/75/76/78/523757678.db2.gz VHUOALACQRTEFW-UHFFFAOYSA-N 1 3 436.575 4.372 50 0 IIAAHO COCC[N@H+](Cc1cccn1-c1ccccn1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012431905 523757683 /nfs/dbraw/zinc/75/76/83/523757683.db2.gz VHUOALACQRTEFW-UHFFFAOYSA-N 1 3 436.575 4.372 50 0 IIAAHO Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)cc1C ZINC000012711765 526072771 /nfs/dbraw/zinc/07/27/71/526072771.db2.gz BOEYOXIHYMPAFX-QFIPXVFZSA-N 1 3 425.592 4.359 50 0 IIAAHO Cc1nn(C)cc1C[N@H+](C)[C@H](Cc1ccccc1F)C1CCN(Cc2cccnc2)CC1 ZINC000012190792 527692199 /nfs/dbraw/zinc/69/21/99/527692199.db2.gz QTJYPFIHXFPFBY-AREMUKBSSA-N 1 3 435.591 4.218 50 0 IIAAHO Cc1nn(C)cc1C[N@@H+](C)[C@H](Cc1ccccc1F)C1CCN(Cc2cccnc2)CC1 ZINC000012190792 527692203 /nfs/dbraw/zinc/69/22/03/527692203.db2.gz QTJYPFIHXFPFBY-AREMUKBSSA-N 1 3 435.591 4.218 50 0 IIAAHO CCN1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000011933144 556376533 /nfs/dbraw/zinc/37/65/33/556376533.db2.gz IICMSWKYIHKMDD-FQEVSTJZSA-N 1 3 434.024 4.340 50 0 IIAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2[nH]c3ccc(OC)cc3c2C)CC1 ZINC000015074978 556498924 /nfs/dbraw/zinc/49/89/24/556498924.db2.gz QRGBIAUVAZGENO-NRFANRHFSA-N 1 3 440.632 4.078 50 0 IIAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2[nH]c3ccc(OC)cc3c2C)CC1 ZINC000015074978 556498926 /nfs/dbraw/zinc/49/89/26/556498926.db2.gz QRGBIAUVAZGENO-NRFANRHFSA-N 1 3 440.632 4.078 50 0 IIAAHO COCc1ccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)o1 ZINC000015078080 556499851 /nfs/dbraw/zinc/49/98/51/556499851.db2.gz NFVYXIWYJMYMCB-VWLOTQADSA-N 1 3 438.612 4.286 50 0 IIAAHO c1cc2nonc2c(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000023360801 557087832 /nfs/dbraw/zinc/08/78/32/557087832.db2.gz XJYXROKRTJDSNJ-NRFANRHFSA-N 1 3 425.621 4.165 50 0 IIAAHO c1cc2nonc2c(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000023360801 557087836 /nfs/dbraw/zinc/08/78/36/557087836.db2.gz XJYXROKRTJDSNJ-NRFANRHFSA-N 1 3 425.621 4.165 50 0 IIAAHO COCC[NH+]1CCC(CN(Cc2ccncc2)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000011873366 569262953 /nfs/dbraw/zinc/26/29/53/569262953.db2.gz HJGLSMNLHJTEND-UHFFFAOYSA-N 1 3 437.506 4.341 50 0 IIAAHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(COCc4ccccc4)cc3)CC2)CC1 ZINC000095946264 569376079 /nfs/dbraw/zinc/37/60/79/569376079.db2.gz IBCDURWQACJTHH-UHFFFAOYSA-N 1 3 436.600 4.084 50 0 IIAAHO CN(CCN1CCCCC1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012315446 522831442 /nfs/dbraw/zinc/83/14/42/522831442.db2.gz MUDVTSMTBBREJZ-UHFFFAOYSA-N 1 3 449.639 4.330 50 0 IIAAHO COc1ccccc1CN1CCC(C[N@@H+](Cc2cccc(OCCO)c2)CC(C)C)CC1 ZINC000012706582 524449874 /nfs/dbraw/zinc/44/98/74/524449874.db2.gz HIZKTBGLPMZFDH-UHFFFAOYSA-N 1 3 440.628 4.437 50 0 IIAAHO COc1ccccc1CN1CCC(C[N@H+](Cc2cccc(OCCO)c2)CC(C)C)CC1 ZINC000012706582 524449886 /nfs/dbraw/zinc/44/98/86/524449886.db2.gz HIZKTBGLPMZFDH-UHFFFAOYSA-N 1 3 440.628 4.437 50 0 IIAAHO CSc1ncc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC000020906520 526221556 /nfs/dbraw/zinc/22/15/56/526221556.db2.gz UEOSNWPBVQJZGG-NRFANRHFSA-N 1 3 431.694 4.141 50 0 IIAAHO CSc1ncc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC000020906520 526221562 /nfs/dbraw/zinc/22/15/62/526221562.db2.gz UEOSNWPBVQJZGG-NRFANRHFSA-N 1 3 431.694 4.141 50 0 IIAAHO Cc1nn(C)cc1C[N@H+](C)[C@@H](Cc1ccccc1F)C1CCN(Cc2ccncc2)CC1 ZINC000012158941 527691549 /nfs/dbraw/zinc/69/15/49/527691549.db2.gz QMJDQDDZTULUDW-SANMLTNESA-N 1 3 435.591 4.218 50 0 IIAAHO Cc1nn(C)cc1C[N@@H+](C)[C@@H](Cc1ccccc1F)C1CCN(Cc2ccncc2)CC1 ZINC000012158941 527691551 /nfs/dbraw/zinc/69/15/51/527691551.db2.gz QMJDQDDZTULUDW-SANMLTNESA-N 1 3 435.591 4.218 50 0 IIAAHO Cc1cc([C@H]2C[C@@H](C(=O)NCCN(C)C)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716795 555866398 /nfs/dbraw/zinc/86/63/98/555866398.db2.gz PHVGGZWKGIOIJO-LEWJYISDSA-N 1 3 431.983 4.071 50 0 IIAAHO Cc1cc([C@H]2C[C@@H](C(=O)NCCN(C)C)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716795 555866401 /nfs/dbraw/zinc/86/64/01/555866401.db2.gz PHVGGZWKGIOIJO-LEWJYISDSA-N 1 3 431.983 4.071 50 0 IIAAHO CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000011933143 556376572 /nfs/dbraw/zinc/37/65/72/556376572.db2.gz IICMSWKYIHKMDD-HXUWFJFHSA-N 1 3 434.024 4.340 50 0 IIAAHO COc1ccc(CN(C)Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)c2cccnc12 ZINC000012026917 556387776 /nfs/dbraw/zinc/38/77/76/556387776.db2.gz LETQJIRRNNNTCG-QHCPKHFHSA-N 1 3 449.595 4.101 50 0 IIAAHO COc1cc(CNCc2ccc(C)c(F)c2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012076254 556397853 /nfs/dbraw/zinc/39/78/53/556397853.db2.gz LELUKGPZQXVLFJ-HSZRJFAPSA-N 1 3 444.591 4.437 50 0 IIAAHO COc1cc(CNCc2ccc(C)c(F)c2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012076254 556397857 /nfs/dbraw/zinc/39/78/57/556397857.db2.gz LELUKGPZQXVLFJ-HSZRJFAPSA-N 1 3 444.591 4.437 50 0 IIAAHO C[C@@H](C[NH+]1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1)c1ccccc1 ZINC000014964688 556465427 /nfs/dbraw/zinc/46/54/27/556465427.db2.gz VYBIIQVIAWBQMD-IBGZPJMESA-N 1 3 444.019 4.278 50 0 IIAAHO COc1ccc(CNCc2cccc(C)c2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011816594 556658155 /nfs/dbraw/zinc/65/81/55/556658155.db2.gz RQNSCKFGSKBMFW-DEOSSOPVSA-N 1 3 426.601 4.299 50 0 IIAAHO COc1ccc(CNCc2ccc(C)s2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000014980225 557602325 /nfs/dbraw/zinc/60/23/25/557602325.db2.gz DDCFHOSQWPPCIR-NRFANRHFSA-N 1 3 432.630 4.361 50 0 IIAAHO CCC[N@@H+](Cc1ccc(OC)c(OC[C@H](O)CN(C)Cc2ccccc2)c1)CC1CC1 ZINC000015079985 568636850 /nfs/dbraw/zinc/63/68/50/568636850.db2.gz WSJLLVCISRWGKI-XMMPIXPASA-N 1 3 426.601 4.189 50 0 IIAAHO CCC[N@H+](Cc1ccc(OC)c(OC[C@H](O)CN(C)Cc2ccccc2)c1)CC1CC1 ZINC000015079985 568636851 /nfs/dbraw/zinc/63/68/51/568636851.db2.gz WSJLLVCISRWGKI-XMMPIXPASA-N 1 3 426.601 4.189 50 0 IIAAHO CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2cc(OC)cc(OC)c2)C[C@@]1(C)CO ZINC000020783332 521730164 /nfs/dbraw/zinc/73/01/64/521730164.db2.gz FANRUGUHMQRBOU-YGOYIFOWSA-N 1 3 432.992 4.281 50 0 IIAAHO CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2cc(OC)cc(OC)c2)C[C@@]1(C)CO ZINC000020783332 521730166 /nfs/dbraw/zinc/73/01/66/521730166.db2.gz FANRUGUHMQRBOU-YGOYIFOWSA-N 1 3 432.992 4.281 50 0 IIAAHO CSc1ncc(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC000020906522 526221213 /nfs/dbraw/zinc/22/12/13/526221213.db2.gz UEOSNWPBVQJZGG-OAQYLSRUSA-N 1 3 431.694 4.141 50 0 IIAAHO CSc1ncc(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC000020906522 526221218 /nfs/dbraw/zinc/22/12/18/526221218.db2.gz UEOSNWPBVQJZGG-OAQYLSRUSA-N 1 3 431.694 4.141 50 0 IIAAHO CC(C)n1cc(C[N@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)cn1 ZINC000011999110 556385240 /nfs/dbraw/zinc/38/52/40/556385240.db2.gz DIFHPKFXTWJMOS-DEOSSOPVSA-N 1 3 428.596 4.496 50 0 IIAAHO CC(C)n1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)cn1 ZINC000011999110 556385242 /nfs/dbraw/zinc/38/52/42/556385242.db2.gz DIFHPKFXTWJMOS-DEOSSOPVSA-N 1 3 428.596 4.496 50 0 IIAAHO COc1ccc(CNC2(c3ccccc3)CC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012051533 556392584 /nfs/dbraw/zinc/39/25/84/556392584.db2.gz SUDQJEZTBWPIQL-VWLOTQADSA-N 1 3 446.591 4.346 50 0 IIAAHO COc1ccc(CNC2(c3ccccc3)CC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012051533 556392588 /nfs/dbraw/zinc/39/25/88/556392588.db2.gz SUDQJEZTBWPIQL-VWLOTQADSA-N 1 3 446.591 4.346 50 0 IIAAHO O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000014888590 556455855 /nfs/dbraw/zinc/45/58/55/556455855.db2.gz OVSAVFPCSWXTAE-XZOQPEGZSA-N 1 3 445.529 4.451 50 0 IIAAHO CCC[N@@H+](Cc1ccc(OC)c(OC[C@@H](O)CN(C)Cc2ccccc2)c1)CC1CC1 ZINC000015079981 568636821 /nfs/dbraw/zinc/63/68/21/568636821.db2.gz WSJLLVCISRWGKI-DEOSSOPVSA-N 1 3 426.601 4.189 50 0 IIAAHO CCC[N@H+](Cc1ccc(OC)c(OC[C@@H](O)CN(C)Cc2ccccc2)c1)CC1CC1 ZINC000015079981 568636824 /nfs/dbraw/zinc/63/68/24/568636824.db2.gz WSJLLVCISRWGKI-DEOSSOPVSA-N 1 3 426.601 4.189 50 0 IIAAHO CC(=O)c1cccc(CN(CC[NH+](C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)c1 ZINC000020542357 518421987 /nfs/dbraw/zinc/42/19/87/518421987.db2.gz ZKKVCEALIMPOTL-QHCPKHFHSA-N 1 3 425.592 4.304 50 0 IIAAHO O[C@@H](COc1ccc(C[NH2+]CCc2ccc(C(F)(F)F)cc2)cc1)CN1CCCCC1 ZINC000012719062 527660525 /nfs/dbraw/zinc/66/05/25/527660525.db2.gz RHHUEMKHXMZVIG-JOCHJYFZSA-N 1 3 436.518 4.263 50 0 IIAAHO COc1cc(CNCc2cc(F)ccc2C)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011841518 556365098 /nfs/dbraw/zinc/36/50/98/556365098.db2.gz OUDWWNXBZOYCJF-DEOSSOPVSA-N 1 3 444.591 4.437 50 0 IIAAHO COc1cc(CNCc2cc(F)ccc2C)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011841518 556365094 /nfs/dbraw/zinc/36/50/94/556365094.db2.gz OUDWWNXBZOYCJF-DEOSSOPVSA-N 1 3 444.591 4.437 50 0 IIAAHO O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1[C@H]1CCN(Cc2ccccc2)C1 ZINC000014888596 556455889 /nfs/dbraw/zinc/45/58/89/556455889.db2.gz OVSAVFPCSWXTAE-PKTZIBPZSA-N 1 3 445.529 4.451 50 0 IIAAHO CN(C)c1ncc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)s1 ZINC000020912477 522340516 /nfs/dbraw/zinc/34/05/16/522340516.db2.gz PCYRRVOHANYCBV-NRFANRHFSA-N 1 3 433.710 4.152 50 0 IIAAHO CN(C)c1ncc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)s1 ZINC000020912477 522340525 /nfs/dbraw/zinc/34/05/25/522340525.db2.gz PCYRRVOHANYCBV-NRFANRHFSA-N 1 3 433.710 4.152 50 0 IIAAHO Cc1ccccc1C[NH+]1CCC(CN(Cc2cnc(N(C)C)s2)C[C@@H]2CCCO2)CC1 ZINC000012466972 525136307 /nfs/dbraw/zinc/13/63/07/525136307.db2.gz ONFAPQSQEYXDCL-QHCPKHFHSA-N 1 3 442.673 4.411 50 0 IIAAHO CN(Cc1ccc(Sc2nncn2C)o1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000011817958 556360432 /nfs/dbraw/zinc/36/04/32/556360432.db2.gz WNEIDQONULLMFW-UHFFFAOYSA-N 1 3 443.592 4.085 50 0 IIAAHO CCn1cc(C[N@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c(C)n1 ZINC000011844073 556367129 /nfs/dbraw/zinc/36/71/29/556367129.db2.gz DIKZVMMSHCWWSI-XMMPIXPASA-N 1 3 428.596 4.244 50 0 IIAAHO CCn1cc(C[N@@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)c(C)n1 ZINC000011844073 556367132 /nfs/dbraw/zinc/36/71/32/556367132.db2.gz DIKZVMMSHCWWSI-XMMPIXPASA-N 1 3 428.596 4.244 50 0 IIAAHO CCCC[C@@H]1CN(CCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)Cc2ccccc2O1 ZINC000011970859 556382641 /nfs/dbraw/zinc/38/26/41/556382641.db2.gz KYMKQQSRKKHYRX-QPTUXGOLSA-N 1 3 427.633 4.211 50 0 IIAAHO CCCC[C@@H]1CN(CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)Cc2ccccc2O1 ZINC000011970859 556382645 /nfs/dbraw/zinc/38/26/45/556382645.db2.gz KYMKQQSRKKHYRX-QPTUXGOLSA-N 1 3 427.633 4.211 50 0 IIAAHO COCC[N@@H+](Cc1cc(OC)cc(OC)c1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000011711831 556643212 /nfs/dbraw/zinc/64/32/12/556643212.db2.gz VBZHEUBOEPTTLI-UHFFFAOYSA-N 1 3 442.600 4.073 50 0 IIAAHO COCC[N@H+](Cc1cc(OC)cc(OC)c1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000011711831 556643214 /nfs/dbraw/zinc/64/32/14/556643214.db2.gz VBZHEUBOEPTTLI-UHFFFAOYSA-N 1 3 442.600 4.073 50 0 IIAAHO CC(=O)c1cccc(CN2CCC(CCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000012705933 518422288 /nfs/dbraw/zinc/42/22/88/518422288.db2.gz IINOPAQUWWSCNT-HHHXNRCGSA-N 1 3 447.623 4.272 50 0 IIAAHO CC(=O)c1cccc(CN2CCC(CCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000012705933 518422294 /nfs/dbraw/zinc/42/22/94/518422294.db2.gz IINOPAQUWWSCNT-HHHXNRCGSA-N 1 3 447.623 4.272 50 0 IIAAHO COCC[N@@H+](Cc1ccc(-n2cccn2)cc1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012718397 523742314 /nfs/dbraw/zinc/74/23/14/523742314.db2.gz XPUXONUYQWIJER-UHFFFAOYSA-N 1 3 448.611 4.242 50 0 IIAAHO COCC[N@H+](Cc1ccc(-n2cccn2)cc1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012718397 523742319 /nfs/dbraw/zinc/74/23/19/523742319.db2.gz XPUXONUYQWIJER-UHFFFAOYSA-N 1 3 448.611 4.242 50 0 IIAAHO Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)cc1C ZINC000012711760 526072416 /nfs/dbraw/zinc/07/24/16/526072416.db2.gz BOEYOXIHYMPAFX-JOCHJYFZSA-N 1 3 425.592 4.359 50 0 IIAAHO Cc1nn(C)cc1C[N@H+](C)[C@@H](Cc1ccccc1F)C1CCN(Cc2cccnc2)CC1 ZINC000012190791 527691512 /nfs/dbraw/zinc/69/15/12/527691512.db2.gz QTJYPFIHXFPFBY-SANMLTNESA-N 1 3 435.591 4.218 50 0 IIAAHO Cc1nn(C)cc1C[N@@H+](C)[C@@H](Cc1ccccc1F)C1CCN(Cc2cccnc2)CC1 ZINC000012190791 527691513 /nfs/dbraw/zinc/69/15/13/527691513.db2.gz QTJYPFIHXFPFBY-SANMLTNESA-N 1 3 435.591 4.218 50 0 IIAAHO COc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OCc1ccc(F)cc1 ZINC000008373826 556158546 /nfs/dbraw/zinc/15/85/46/556158546.db2.gz KWKFABSYBNFHDZ-UHFFFAOYSA-N 1 3 425.342 4.217 50 0 IIAAHO Cc1ccc([C@@H]2CN(Cc3cccn3C)C[C@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000230144575 569439460 /nfs/dbraw/zinc/43/94/60/569439460.db2.gz IFCGKIDDASYPJS-NAKRPHOHSA-N 1 3 428.624 4.371 50 0 IIAAHO CCOc1ccc(CN(CC)C[C@@H]2CCC[N@H+](CCc3cccc(F)c3)C2)cc1CO ZINC000012386212 520966020 /nfs/dbraw/zinc/96/60/20/520966020.db2.gz BIHWMLFAVTXFRB-QHCPKHFHSA-N 1 3 428.592 4.493 50 0 IIAAHO CCOc1ccc(CN(CC)C[C@@H]2CCC[N@@H+](CCc3cccc(F)c3)C2)cc1CO ZINC000012386212 520966029 /nfs/dbraw/zinc/96/60/29/520966029.db2.gz BIHWMLFAVTXFRB-QHCPKHFHSA-N 1 3 428.592 4.493 50 0 IIAAHO C[N@@H+](Cc1ccc(N2CCNC2=O)cc1)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000012711223 523263064 /nfs/dbraw/zinc/26/30/64/523263064.db2.gz AFOCWXLWQZGHIC-JOCHJYFZSA-N 1 3 441.019 4.256 50 0 IIAAHO C[N@H+](Cc1ccc(N2CCNC2=O)cc1)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000012711223 523263076 /nfs/dbraw/zinc/26/30/76/523263076.db2.gz AFOCWXLWQZGHIC-JOCHJYFZSA-N 1 3 441.019 4.256 50 0 IIAAHO CCn1nc(C)c(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)c1C ZINC000020779669 523637770 /nfs/dbraw/zinc/63/77/70/523637770.db2.gz QGQPPCCAXYRVRU-XMMPIXPASA-N 1 3 429.697 4.462 50 0 IIAAHO CCn1nc(C)c(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)c1C ZINC000020779669 523637781 /nfs/dbraw/zinc/63/77/81/523637781.db2.gz QGQPPCCAXYRVRU-XMMPIXPASA-N 1 3 429.697 4.462 50 0 IIAAHO Cn1cc(CN2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c2cc(Cl)ccc21 ZINC000035457858 527197318 /nfs/dbraw/zinc/19/73/18/527197318.db2.gz LKFSFEBTXCVJEE-UHFFFAOYSA-N 1 3 431.024 4.036 50 0 IIAAHO COc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@@H]2CCCN(CCc3ccccc3OC)C2)cc1 ZINC000011819703 556361593 /nfs/dbraw/zinc/36/15/93/556361593.db2.gz LELLUXQOOMUSBO-NRFANRHFSA-N 1 3 448.611 4.480 50 0 IIAAHO COc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@@H]2CCCN(CCc3ccccc3OC)C2)cc1 ZINC000011819703 556361594 /nfs/dbraw/zinc/36/15/94/556361594.db2.gz LELLUXQOOMUSBO-NRFANRHFSA-N 1 3 448.611 4.480 50 0 IIAAHO C[C@H](C[NH+]1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1)c1ccccc1 ZINC000014964693 556465386 /nfs/dbraw/zinc/46/53/86/556465386.db2.gz VYBIIQVIAWBQMD-LJQANCHMSA-N 1 3 444.019 4.278 50 0 IIAAHO COc1ccccc1CN1CCC(C[N@@H+](Cc2ccccc2OCCO)CC(C)C)CC1 ZINC000015077826 556500002 /nfs/dbraw/zinc/50/00/02/556500002.db2.gz AHVWYVDZWSBHPG-UHFFFAOYSA-N 1 3 440.628 4.437 50 0 IIAAHO COc1ccccc1CN1CCC(C[N@H+](Cc2ccccc2OCCO)CC(C)C)CC1 ZINC000015077826 556500005 /nfs/dbraw/zinc/50/00/05/556500005.db2.gz AHVWYVDZWSBHPG-UHFFFAOYSA-N 1 3 440.628 4.437 50 0 IIAAHO Fc1ccccc1CN1CCC(C[N@@H+](Cc2cccc3nonc32)C[C@H]2CCCO2)CC1 ZINC000055099044 556734248 /nfs/dbraw/zinc/73/42/48/556734248.db2.gz IQHDGLBJNUCWEW-JOCHJYFZSA-N 1 3 438.547 4.255 50 0 IIAAHO Fc1ccccc1CN1CCC(C[N@H+](Cc2cccc3nonc32)C[C@H]2CCCO2)CC1 ZINC000055099044 556734253 /nfs/dbraw/zinc/73/42/53/556734253.db2.gz IQHDGLBJNUCWEW-JOCHJYFZSA-N 1 3 438.547 4.255 50 0 IIAAHO Fc1ccccc1CN1CCC(C[N@@H+](Cc2cccc3nonc32)C[C@@H]2CCCO2)CC1 ZINC000055099043 556734328 /nfs/dbraw/zinc/73/43/28/556734328.db2.gz IQHDGLBJNUCWEW-QFIPXVFZSA-N 1 3 438.547 4.255 50 0 IIAAHO Fc1ccccc1CN1CCC(C[N@H+](Cc2cccc3nonc32)C[C@@H]2CCCO2)CC1 ZINC000055099043 556734332 /nfs/dbraw/zinc/73/43/32/556734332.db2.gz IQHDGLBJNUCWEW-QFIPXVFZSA-N 1 3 438.547 4.255 50 0 IIAAHO C[N@H+](C[C@@H](O)COc1ccccc1CN1CCC(c2ccncc2)CC1)C1CCCCC1 ZINC000012436310 523023655 /nfs/dbraw/zinc/02/36/55/523023655.db2.gz RKMXLBZHEFAEJT-AREMUKBSSA-N 1 3 437.628 4.465 50 0 IIAAHO C[N@@H+](C[C@@H](O)COc1ccccc1CN1CCC(c2ccncc2)CC1)C1CCCCC1 ZINC000012436310 523023667 /nfs/dbraw/zinc/02/36/67/523023667.db2.gz RKMXLBZHEFAEJT-AREMUKBSSA-N 1 3 437.628 4.465 50 0 IIAAHO COCC[N@@H+](Cc1ccc(OC)c(OC)c1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012430206 523751203 /nfs/dbraw/zinc/75/12/03/523751203.db2.gz MLZANPTXCPZDDX-UHFFFAOYSA-N 1 3 442.600 4.073 50 0 IIAAHO COCC[N@H+](Cc1ccc(OC)c(OC)c1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012430206 523751208 /nfs/dbraw/zinc/75/12/08/523751208.db2.gz MLZANPTXCPZDDX-UHFFFAOYSA-N 1 3 442.600 4.073 50 0 IIAAHO COc1ccc(CNCc2cc(F)ccc2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011816861 556359656 /nfs/dbraw/zinc/35/96/56/556359656.db2.gz YQAAGTWBDVCENO-XMMPIXPASA-N 1 3 444.591 4.438 50 0 IIAAHO COc1cc(CN(Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)ccc1F ZINC000011820558 556362471 /nfs/dbraw/zinc/36/24/71/556362471.db2.gz KVLYHUQULHBVHN-UHFFFAOYSA-N 1 3 440.607 4.038 50 0 IIAAHO CN(C)CCNC(=O)c1ccc(OC2CC[NH+](CCCc3ccccc3)CC2)c(Cl)c1 ZINC000015074504 556498472 /nfs/dbraw/zinc/49/84/72/556498472.db2.gz VHCSHSUFRRCCSE-UHFFFAOYSA-N 1 3 444.019 4.107 50 0 IIAAHO CCOc1ccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1CO ZINC000011842628 556660554 /nfs/dbraw/zinc/66/05/54/556660554.db2.gz NCHZAVHPACZMCU-RUZDIDTESA-N 1 3 430.633 4.213 50 0 IIAAHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000071281464 569573712 /nfs/dbraw/zinc/57/37/12/569573712.db2.gz ZJJVWVXHLMSZAI-UHFFFAOYSA-N 1 3 439.603 4.489 50 0 IIAAHO CC(=O)c1cccc(CN2CCC(CCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000012705941 518422108 /nfs/dbraw/zinc/42/21/08/518422108.db2.gz IINOPAQUWWSCNT-MHZLTWQESA-N 1 3 447.623 4.272 50 0 IIAAHO CC(=O)c1cccc(CN2CCC(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000012705941 518422116 /nfs/dbraw/zinc/42/21/16/518422116.db2.gz IINOPAQUWWSCNT-MHZLTWQESA-N 1 3 447.623 4.272 50 0 IIAAHO CCCN1CCC([N@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000012385928 519844507 /nfs/dbraw/zinc/84/45/07/519844507.db2.gz RZHBAEFXTJLHNS-RUZDIDTESA-N 1 3 431.640 4.393 50 0 IIAAHO CCCN1CCC([N@@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000012385928 519844508 /nfs/dbraw/zinc/84/45/08/519844508.db2.gz RZHBAEFXTJLHNS-RUZDIDTESA-N 1 3 431.640 4.393 50 0 IIAAHO COc1ccc(C[N@H+](C)C2CCCCC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012300012 524002548 /nfs/dbraw/zinc/00/25/48/524002548.db2.gz MVCFNDDMAJUCOX-XMMPIXPASA-N 1 3 426.601 4.331 50 0 IIAAHO COc1ccc(C[N@@H+](C)C2CCCCC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012300012 524002553 /nfs/dbraw/zinc/00/25/53/524002553.db2.gz MVCFNDDMAJUCOX-XMMPIXPASA-N 1 3 426.601 4.331 50 0 IIAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc2ncccc2c1 ZINC000011817043 556359535 /nfs/dbraw/zinc/35/95/35/556359535.db2.gz ZKVFCSHKERVGBP-NRFANRHFSA-N 1 3 448.586 4.290 50 0 IIAAHO CN(C(=O)CC[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000011933933 556377365 /nfs/dbraw/zinc/37/73/65/556377365.db2.gz HMMVJUZENFRKSJ-SFHVURJKSA-N 1 3 425.539 4.250 50 0 IIAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1(c2ccccc2)CC1 ZINC000014953990 556461554 /nfs/dbraw/zinc/46/15/54/556461554.db2.gz PVBPPVHTGZJKDQ-JOCHJYFZSA-N 1 3 437.603 4.160 50 0 IIAAHO Cc1ccccc1C[NH+]1CCC(CN(Cc2cnc(N(C)C)s2)C[C@H]2CCCO2)CC1 ZINC000012466975 525137729 /nfs/dbraw/zinc/13/77/29/525137729.db2.gz ONFAPQSQEYXDCL-HSZRJFAPSA-N 1 3 442.673 4.411 50 0 IIAAHO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](CCC(=O)N(C)C2CCN(C)CC2)C1 ZINC000012753243 525651126 /nfs/dbraw/zinc/65/11/26/525651126.db2.gz KQTQALWTGYNXFX-OAQYLSRUSA-N 1 3 437.628 4.393 50 0 IIAAHO COc1ccc2ccccc2c1C[N@H+]1CCC[C@H](CCC(=O)N(C)C2CCN(C)CC2)C1 ZINC000012753243 525651134 /nfs/dbraw/zinc/65/11/34/525651134.db2.gz KQTQALWTGYNXFX-OAQYLSRUSA-N 1 3 437.628 4.393 50 0 IIAAHO Cc1nn(C)cc1C[N@H+](C)[C@H](Cc1ccccc1F)C1CCN(Cc2ccncc2)CC1 ZINC000012158945 527692364 /nfs/dbraw/zinc/69/23/64/527692364.db2.gz QMJDQDDZTULUDW-AREMUKBSSA-N 1 3 435.591 4.218 50 0 IIAAHO Cc1nn(C)cc1C[N@@H+](C)[C@H](Cc1ccccc1F)C1CCN(Cc2ccncc2)CC1 ZINC000012158945 527692367 /nfs/dbraw/zinc/69/23/67/527692367.db2.gz QMJDQDDZTULUDW-AREMUKBSSA-N 1 3 435.591 4.218 50 0 IIAAHO COc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@H]2CCCN(CCc3ccccc3OC)C2)cc1 ZINC000011819704 556361325 /nfs/dbraw/zinc/36/13/25/556361325.db2.gz LELLUXQOOMUSBO-OAQYLSRUSA-N 1 3 448.611 4.480 50 0 IIAAHO COc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@H]2CCCN(CCc3ccccc3OC)C2)cc1 ZINC000011819704 556361330 /nfs/dbraw/zinc/36/13/30/556361330.db2.gz LELLUXQOOMUSBO-OAQYLSRUSA-N 1 3 448.611 4.480 50 0 IIAAHO COc1cc(CNCc2cccc(C)c2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011949692 556380418 /nfs/dbraw/zinc/38/04/18/556380418.db2.gz XQXGIDMRYGFOHX-XMMPIXPASA-N 1 3 426.601 4.299 50 0 IIAAHO CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CCN(C)CC1 ZINC000012000987 556385554 /nfs/dbraw/zinc/38/55/54/556385554.db2.gz XBNUDTPCTRPKBK-GOSISDBHSA-N 1 3 425.539 4.250 50 0 IIAAHO CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CCN(C)CC1 ZINC000012000987 556385555 /nfs/dbraw/zinc/38/55/55/556385555.db2.gz XBNUDTPCTRPKBK-GOSISDBHSA-N 1 3 425.539 4.250 50 0 IIAAHO COc1cc(CN(C)Cc2ccccc2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012457805 522357135 /nfs/dbraw/zinc/35/71/35/522357135.db2.gz OEBJTPQEBVEBPR-DEOSSOPVSA-N 1 3 426.601 4.333 50 0 IIAAHO COc1ccc(C[NH2+]CC2CCCCC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012193240 524069595 /nfs/dbraw/zinc/06/95/95/524069595.db2.gz MWCNFXZUOKUSNG-XMMPIXPASA-N 1 3 426.601 4.237 50 0 IIAAHO COc1ccc(C[NH2+]CC2CCCCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012193231 524069951 /nfs/dbraw/zinc/06/99/51/524069951.db2.gz MWCNFXZUOKUSNG-DEOSSOPVSA-N 1 3 426.601 4.237 50 0 IIAAHO COc1ccc(CNCc2cccc(F)c2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012714021 524073399 /nfs/dbraw/zinc/07/33/99/524073399.db2.gz OXWNKXIGRPBBSD-HSZRJFAPSA-N 1 3 430.564 4.130 50 0 IIAAHO COCC[NH+]1CCC(CN(Cc2c[nH]nc2-c2cc(C)ccc2C)Cc2ccncc2)CC1 ZINC000011663482 556344393 /nfs/dbraw/zinc/34/43/93/556344393.db2.gz KGYDZTCNFIFASS-UHFFFAOYSA-N 1 3 447.627 4.449 50 0 IIAAHO CN(C(=O)CC[C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000011933934 556377316 /nfs/dbraw/zinc/37/73/16/556377316.db2.gz HMMVJUZENFRKSJ-GOSISDBHSA-N 1 3 425.539 4.250 50 0 IIAAHO COCc1ccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)o1 ZINC000015078082 556499938 /nfs/dbraw/zinc/49/99/38/556499938.db2.gz NFVYXIWYJMYMCB-RUZDIDTESA-N 1 3 438.612 4.286 50 0 IIAAHO CCOc1ccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1CO ZINC000011842627 556660563 /nfs/dbraw/zinc/66/05/63/556660563.db2.gz NCHZAVHPACZMCU-VWLOTQADSA-N 1 3 430.633 4.213 50 0 IIAAHO CC1(C)CC(NC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000007010011 569118152 /nfs/dbraw/zinc/11/81/52/569118152.db2.gz ZJOMHFUVYNCKBT-QFIPXVFZSA-N 1 3 432.555 4.331 50 0 IIAAHO CC1(C)CC([NH2+]C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC(C)(C)N1 ZINC000007010011 569118153 /nfs/dbraw/zinc/11/81/53/569118153.db2.gz ZJOMHFUVYNCKBT-QFIPXVFZSA-N 1 3 432.555 4.331 50 0 IIAAHO CC(=O)c1cccc(CN(CC[NH+](C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)c1 ZINC000020542353 518421324 /nfs/dbraw/zinc/42/13/24/518421324.db2.gz ZKKVCEALIMPOTL-HSZRJFAPSA-N 1 3 425.592 4.304 50 0 IIAAHO Cc1cc([C@H]2C[C@H](C(=O)NCCN(C)C)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716793 555866465 /nfs/dbraw/zinc/86/64/65/555866465.db2.gz PHVGGZWKGIOIJO-SFTDATJTSA-N 1 3 431.983 4.071 50 0 IIAAHO Cc1cc([C@H]2C[C@H](C(=O)NCCN(C)C)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716793 555866467 /nfs/dbraw/zinc/86/64/67/555866467.db2.gz PHVGGZWKGIOIJO-SFTDATJTSA-N 1 3 431.983 4.071 50 0 IIAAHO Cn1cc(CN2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011958636 556381159 /nfs/dbraw/zinc/38/11/59/556381159.db2.gz BOZXVPQREWTDEG-QHCPKHFHSA-N 1 3 432.568 4.257 50 0 IIAAHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2[nH]c3ccc(OC)cc3c2C)CC1 ZINC000015074977 556498853 /nfs/dbraw/zinc/49/88/53/556498853.db2.gz QRGBIAUVAZGENO-OAQYLSRUSA-N 1 3 440.632 4.078 50 0 IIAAHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2[nH]c3ccc(OC)cc3c2C)CC1 ZINC000015074977 556498855 /nfs/dbraw/zinc/49/88/55/556498855.db2.gz QRGBIAUVAZGENO-OAQYLSRUSA-N 1 3 440.632 4.078 50 0 IIAAHO Cc1ccc([C@@H]2CN(Cc3cccn3C)C[C@@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000097954617 556850494 /nfs/dbraw/zinc/85/04/94/556850494.db2.gz IFCGKIDDASYPJS-LSYYVWMOSA-N 1 3 428.624 4.371 50 0 IIAAHO COCc1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000015068195 568635278 /nfs/dbraw/zinc/63/52/78/568635278.db2.gz NLVYGMMHCXWEAA-RUZDIDTESA-N 1 3 430.633 4.477 50 0 IIAAHO COc1ccc(C[NH2+]CCc2ccc(C)cc2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012716472 524070990 /nfs/dbraw/zinc/07/09/90/524070990.db2.gz TUTHFUYIIKQNDJ-SANMLTNESA-N 1 3 448.607 4.208 50 0 IIAAHO Fc1ccccc1CN1CCC(C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]2CCCO2)CC1 ZINC000012763139 526410398 /nfs/dbraw/zinc/41/03/98/526410398.db2.gz PBUJGNZPMWVERQ-QFIPXVFZSA-N 1 3 438.547 4.255 50 0 IIAAHO Fc1ccccc1CN1CCC(C[N@H+](Cc2ccc3nonc3c2)C[C@@H]2CCCO2)CC1 ZINC000012763139 526410400 /nfs/dbraw/zinc/41/04/00/526410400.db2.gz PBUJGNZPMWVERQ-QFIPXVFZSA-N 1 3 438.547 4.255 50 0 IIAAHO Cn1cc(CN2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011958640 556381388 /nfs/dbraw/zinc/38/13/88/556381388.db2.gz BOZXVPQREWTDEG-HSZRJFAPSA-N 1 3 432.568 4.257 50 0 IIAAHO COc1ccc(CN(C)Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)c2cccnc12 ZINC000012026922 556387807 /nfs/dbraw/zinc/38/78/07/556387807.db2.gz LETQJIRRNNNTCG-HSZRJFAPSA-N 1 3 449.595 4.101 50 0 IIAAHO c1ccc2c(c1)CC([NH+]1CCC(CN(Cc3ccc4nonc4c3)C[C@@H]3CCCO3)CC1)C2 ZINC000014957621 556462780 /nfs/dbraw/zinc/46/27/80/556462780.db2.gz KRGMMZFWWJRCFN-VWLOTQADSA-N 1 3 446.595 4.083 50 0 IIAAHO CC[NH+](CC)CCN(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012472281 520638896 /nfs/dbraw/zinc/63/88/96/520638896.db2.gz QCWXULNSQBZGTK-UHFFFAOYSA-N 1 3 437.628 4.186 50 0 IIAAHO COc1ccc(C[NH2+]CCc2ccc(C)cc2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012716475 524070983 /nfs/dbraw/zinc/07/09/83/524070983.db2.gz TUTHFUYIIKQNDJ-AREMUKBSSA-N 1 3 448.607 4.208 50 0 IIAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc2ncccc2c1 ZINC000011817042 556359670 /nfs/dbraw/zinc/35/96/70/556359670.db2.gz ZKVFCSHKERVGBP-OAQYLSRUSA-N 1 3 448.586 4.290 50 0 IIAAHO COc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c2ccccc12 ZINC000011933164 556376847 /nfs/dbraw/zinc/37/68/47/556376847.db2.gz YSHHYWFRBSENMH-NRFANRHFSA-N 1 3 437.628 4.393 50 0 IIAAHO COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c2ccccc12 ZINC000011933164 556376851 /nfs/dbraw/zinc/37/68/51/556376851.db2.gz YSHHYWFRBSENMH-NRFANRHFSA-N 1 3 437.628 4.393 50 0 IIAAHO CCN1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2c(OC)ccc3ccccc32)CC1 ZINC000011958436 556381078 /nfs/dbraw/zinc/38/10/78/556381078.db2.gz RHJVIXBWPAVMSI-HSZRJFAPSA-N 1 3 437.628 4.441 50 0 IIAAHO COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cc(Cl)c([O-])c(OC)c3)CC2)cc1 ZINC000011813062 556658187 /nfs/dbraw/zinc/65/81/87/556658187.db2.gz DJWISZYNNRCGGR-UHFFFAOYSA-N 1 3 432.992 4.449 50 0 IIAAHO COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cc(Cl)c([O-])c(OC)c3)CC2)cc1 ZINC000011813062 556658188 /nfs/dbraw/zinc/65/81/88/556658188.db2.gz DJWISZYNNRCGGR-UHFFFAOYSA-N 1 3 432.992 4.449 50 0 IIAAHO CC(C)[NH+]1CCC(N2CCN(Cc3cccc4c5ccccc5oc43)C[C@H]2CCO)CC1 ZINC000106724604 568837348 /nfs/dbraw/zinc/83/73/48/568837348.db2.gz FDMGCVGMIGYMIB-HSZRJFAPSA-N 1 3 435.612 4.327 50 0 IIAAHO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CC1CCN(C)CC1 ZINC000012578745 522660543 /nfs/dbraw/zinc/66/05/43/522660543.db2.gz UFOZRXGRMMNVLP-UHFFFAOYSA-N 1 3 439.566 4.150 50 0 IIAAHO COc1ccc(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1O ZINC000020996807 524012328 /nfs/dbraw/zinc/01/23/28/524012328.db2.gz KGSZXPDVBFXVJJ-HSZRJFAPSA-N 1 3 429.649 4.343 50 0 IIAAHO COc1ccc(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)cc1O ZINC000020996807 524012329 /nfs/dbraw/zinc/01/23/29/524012329.db2.gz KGSZXPDVBFXVJJ-HSZRJFAPSA-N 1 3 429.649 4.343 50 0 IIAAHO Cc1ccc(CN2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)s1 ZINC000012715477 524440308 /nfs/dbraw/zinc/44/03/08/524440308.db2.gz GGICYGBUQQTKCJ-UHFFFAOYSA-N 1 3 436.021 4.045 50 0 IIAAHO COCC[N@@H+](Cc1cc(OC)ccc1OC)CC1CCN(Cc2ccccc2F)CC1 ZINC000011771081 556350144 /nfs/dbraw/zinc/35/01/44/556350144.db2.gz OBGIEODUEYKAIW-UHFFFAOYSA-N 1 3 430.564 4.204 50 0 IIAAHO COCC[N@H+](Cc1cc(OC)ccc1OC)CC1CCN(Cc2ccccc2F)CC1 ZINC000011771081 556350147 /nfs/dbraw/zinc/35/01/47/556350147.db2.gz OBGIEODUEYKAIW-UHFFFAOYSA-N 1 3 430.564 4.204 50 0 IIAAHO COc1cc(CNCc2cccc(C)c2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011949685 556380332 /nfs/dbraw/zinc/38/03/32/556380332.db2.gz XQXGIDMRYGFOHX-DEOSSOPVSA-N 1 3 426.601 4.299 50 0 IIAAHO CCN1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2c(OC)ccc3ccccc32)CC1 ZINC000011958442 556381112 /nfs/dbraw/zinc/38/11/12/556381112.db2.gz RHJVIXBWPAVMSI-QHCPKHFHSA-N 1 3 437.628 4.441 50 0 IIAAHO CCOc1ccc(CN2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1 ZINC000011978083 556383416 /nfs/dbraw/zinc/38/34/16/556383416.db2.gz KKUDQGXCWDKION-OAQYLSRUSA-N 1 3 426.630 4.443 50 0 IIAAHO CC(C)n1cc(C[N@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)cn1 ZINC000011999111 556385332 /nfs/dbraw/zinc/38/53/32/556385332.db2.gz DIFHPKFXTWJMOS-XMMPIXPASA-N 1 3 428.596 4.496 50 0 IIAAHO CC(C)n1cc(C[N@@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)cn1 ZINC000011999111 556385336 /nfs/dbraw/zinc/38/53/36/556385336.db2.gz DIFHPKFXTWJMOS-XMMPIXPASA-N 1 3 428.596 4.496 50 0 IIAAHO COc1ccc(CNCc2ccc(C)s2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000014980228 557602372 /nfs/dbraw/zinc/60/23/72/557602372.db2.gz DDCFHOSQWPPCIR-OAQYLSRUSA-N 1 3 432.630 4.361 50 0 IIAAHO CCOc1ccc(CN(CC)C[C@H]2CCC[N@H+](CCc3cccc(F)c3)C2)cc1CO ZINC000012386213 520965896 /nfs/dbraw/zinc/96/58/96/520965896.db2.gz BIHWMLFAVTXFRB-HSZRJFAPSA-N 1 3 428.592 4.493 50 0 IIAAHO CCOc1ccc(CN(CC)C[C@H]2CCC[N@@H+](CCc3cccc(F)c3)C2)cc1CO ZINC000012386213 520965904 /nfs/dbraw/zinc/96/59/04/520965904.db2.gz BIHWMLFAVTXFRB-HSZRJFAPSA-N 1 3 428.592 4.493 50 0 IIAAHO COc1cc(OC)c(OC)cc1CN(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012201938 522819885 /nfs/dbraw/zinc/81/98/85/522819885.db2.gz LPIRKGZACMTBOC-QHCPKHFHSA-N 1 3 446.632 4.348 50 0 IIAAHO CCn1ncc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1C ZINC000012465692 523691583 /nfs/dbraw/zinc/69/15/83/523691583.db2.gz XZBLLSABPWNJAT-HHHXNRCGSA-N 1 3 436.644 4.072 50 0 IIAAHO COc1ccc(CC[NH+]2CCC(CN(C)Cc3cnn(-c4ccccc4OC)c3)CC2)cc1 ZINC000012459265 523949527 /nfs/dbraw/zinc/94/95/27/523949527.db2.gz QAGURRJJXMOBAK-UHFFFAOYSA-N 1 3 448.611 4.276 50 0 IIAAHO COc1ccc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1O ZINC000020996805 524012199 /nfs/dbraw/zinc/01/21/99/524012199.db2.gz KGSZXPDVBFXVJJ-QHCPKHFHSA-N 1 3 429.649 4.343 50 0 IIAAHO COc1ccc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1O ZINC000020996805 524012202 /nfs/dbraw/zinc/01/22/02/524012202.db2.gz KGSZXPDVBFXVJJ-QHCPKHFHSA-N 1 3 429.649 4.343 50 0 IIAAHO C[C@@H](NCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccs1 ZINC000012533927 525410895 /nfs/dbraw/zinc/41/08/95/525410895.db2.gz UXSVFQVYIFBDJO-HXUWFJFHSA-N 1 3 434.609 4.360 50 0 IIAAHO COc1ccc(CCN(Cc2c(OC)cc(OC)cc2OC)CC2CC[NH+](C)CC2)cc1 ZINC000011817381 556359719 /nfs/dbraw/zinc/35/97/19/556359719.db2.gz ZJNJMWNZKOUEQX-UHFFFAOYSA-N 1 3 442.600 4.108 50 0 IIAAHO CCOc1ccc(CN2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1 ZINC000011978097 556383558 /nfs/dbraw/zinc/38/35/58/556383558.db2.gz KKUDQGXCWDKION-NRFANRHFSA-N 1 3 426.630 4.443 50 0 IIAAHO O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000014888592 556455865 /nfs/dbraw/zinc/45/58/65/556455865.db2.gz OVSAVFPCSWXTAE-DHIUTWEWSA-N 1 3 445.529 4.451 50 0 IIAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc(Cl)cc1 ZINC000012725724 562983000 /nfs/dbraw/zinc/98/30/00/562983000.db2.gz UCIMUKXLDLVTCK-LJQANCHMSA-N 1 3 431.983 4.395 50 0 IIAAHO CC(C)[NH+]1CCC(N2CCN(Cc3cccc4c5ccccc5oc43)C[C@@H]2CCO)CC1 ZINC000020905508 519669900 /nfs/dbraw/zinc/66/99/00/519669900.db2.gz FDMGCVGMIGYMIB-QHCPKHFHSA-N 1 3 435.612 4.327 50 0 IIAAHO CCN(Cc1cnn(-c2cccc(Cl)c2)c1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012717758 521436250 /nfs/dbraw/zinc/43/62/50/521436250.db2.gz JNJJFXXIQFDIAN-UHFFFAOYSA-N 1 3 430.040 4.154 50 0 IIAAHO COCC[N@@H+](Cc1ccc(OC)c(OC)c1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012074319 556396784 /nfs/dbraw/zinc/39/67/84/556396784.db2.gz CTEWTGOKZRNIAP-UHFFFAOYSA-N 1 3 430.564 4.204 50 0 IIAAHO COCC[N@H+](Cc1ccc(OC)c(OC)c1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012074319 556396787 /nfs/dbraw/zinc/39/67/87/556396787.db2.gz CTEWTGOKZRNIAP-UHFFFAOYSA-N 1 3 430.564 4.204 50 0 IIAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1(c2ccccc2)CC1 ZINC000014953994 556461493 /nfs/dbraw/zinc/46/14/93/556461493.db2.gz PVBPPVHTGZJKDQ-QFIPXVFZSA-N 1 3 437.603 4.160 50 0 IIAAHO COc1cc(CNC2(c3ccccc3)CC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000014963301 556464829 /nfs/dbraw/zinc/46/48/29/556464829.db2.gz NALDOMRMMYZMHY-XMMPIXPASA-N 1 3 438.612 4.480 50 0 IIAAHO COc1cc(CNC2(c3ccccc3)CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000014963296 556465099 /nfs/dbraw/zinc/46/50/99/556465099.db2.gz NALDOMRMMYZMHY-DEOSSOPVSA-N 1 3 438.612 4.480 50 0 IIAAHO c1cc2c(c(CN(CCN3CCCCC3)C[C@@H]3CCC[N@@H+](C4CCCC4)C3)c1)OCO2 ZINC000019733271 556876987 /nfs/dbraw/zinc/87/69/87/556876987.db2.gz HZYUKNXZFFEUQD-QFIPXVFZSA-N 1 3 427.633 4.358 50 0 IIAAHO c1cc2c(c(CN(CCN3CCCCC3)C[C@@H]3CCC[N@H+](C4CCCC4)C3)c1)OCO2 ZINC000019733271 556876991 /nfs/dbraw/zinc/87/69/91/556876991.db2.gz HZYUKNXZFFEUQD-QFIPXVFZSA-N 1 3 427.633 4.358 50 0 IIAAHO CCCN1CCC([N@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000012385927 519844600 /nfs/dbraw/zinc/84/46/00/519844600.db2.gz RZHBAEFXTJLHNS-VWLOTQADSA-N 1 3 431.640 4.393 50 0 IIAAHO CCCN1CCC([N@@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000012385927 519844602 /nfs/dbraw/zinc/84/46/02/519844602.db2.gz RZHBAEFXTJLHNS-VWLOTQADSA-N 1 3 431.640 4.393 50 0 IIAAHO CN(CCCNC(=O)c1ccccc1Br)CCC[N@H+](C)Cc1ccccc1 ZINC000002180665 555753315 /nfs/dbraw/zinc/75/33/15/555753315.db2.gz ZNQGWBMQQHTCNE-UHFFFAOYSA-N 1 3 432.406 4.023 50 0 IIAAHO CN(CCCNC(=O)c1ccccc1Br)CCC[N@@H+](C)Cc1ccccc1 ZINC000002180665 555753318 /nfs/dbraw/zinc/75/33/18/555753318.db2.gz ZNQGWBMQQHTCNE-UHFFFAOYSA-N 1 3 432.406 4.023 50 0 IIAAHO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000011773450 556350551 /nfs/dbraw/zinc/35/05/51/556350551.db2.gz ZIXGOXOYWXKOKO-HSZRJFAPSA-N 1 3 441.591 4.044 50 0 IIAAHO CCOc1cc(C[N@H+](CCOC)CC2CCN(Cc3ccccc3F)CC2)ccc1O ZINC000012571566 556408524 /nfs/dbraw/zinc/40/85/24/556408524.db2.gz BTZNVKVVMKIZTR-UHFFFAOYSA-N 1 3 430.564 4.291 50 0 IIAAHO CCOc1cc(C[N@@H+](CCOC)CC2CCN(Cc3ccccc3F)CC2)ccc1O ZINC000012571566 556408528 /nfs/dbraw/zinc/40/85/28/556408528.db2.gz BTZNVKVVMKIZTR-UHFFFAOYSA-N 1 3 430.564 4.291 50 0 IIAAHO CN(Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)cc1)Cc1ccc2c(c1)OCO2 ZINC000015521157 556533059 /nfs/dbraw/zinc/53/30/59/556533059.db2.gz BVVRYKBRJQRNNN-UHFFFAOYSA-N 1 3 432.520 4.408 50 0 IIAAHO CN(Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1)Cc1ccc2c(c1)OCO2 ZINC000015521157 556533061 /nfs/dbraw/zinc/53/30/61/556533061.db2.gz BVVRYKBRJQRNNN-UHFFFAOYSA-N 1 3 432.520 4.408 50 0 IIAAHO C[N@H+](CCNC(=O)C1CCN(Cc2ccccc2SC(F)F)CC1)Cc1ccccc1 ZINC000072308606 556565307 /nfs/dbraw/zinc/56/53/07/556565307.db2.gz UOKMCTWDERVKAX-UHFFFAOYSA-N 1 3 447.595 4.462 50 0 IIAAHO C[N@@H+](CCNC(=O)C1CCN(Cc2ccccc2SC(F)F)CC1)Cc1ccccc1 ZINC000072308606 556565310 /nfs/dbraw/zinc/56/53/10/556565310.db2.gz UOKMCTWDERVKAX-UHFFFAOYSA-N 1 3 447.595 4.462 50 0 IIAAHO Cc1ccc([C@H]2CN(Cc3cccn3C)C[C@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000248114222 556665457 /nfs/dbraw/zinc/66/54/57/556665457.db2.gz IFCGKIDDASYPJS-LEAFIULHSA-N 1 3 428.624 4.371 50 0 IIAAHO CN(Cc1ccc(Sc2nncn2C)o1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012590075 523274671 /nfs/dbraw/zinc/27/46/71/523274671.db2.gz JZMGBTZDQGYTKJ-UHFFFAOYSA-N 1 3 443.592 4.085 50 0 IIAAHO COc1ccc(CC[NH+]2CCC(CN(C)Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000011817030 556359662 /nfs/dbraw/zinc/35/96/62/556359662.db2.gz XZFQHVMZYOGZGY-UHFFFAOYSA-N 1 3 442.600 4.108 50 0 IIAAHO COc1ccc(CCN(Cc2cc3c(cc2Cl)OCO3)CC2CC[NH+](C)CC2)cc1 ZINC000011954850 556380701 /nfs/dbraw/zinc/38/07/01/556380701.db2.gz PYWSZPAJAXJLQR-UHFFFAOYSA-N 1 3 430.976 4.464 50 0 IIAAHO CCCC[C@H]1CN(CCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)Cc2ccccc2O1 ZINC000011970868 556382495 /nfs/dbraw/zinc/38/24/95/556382495.db2.gz KYMKQQSRKKHYRX-OEMFJLHTSA-N 1 3 427.633 4.211 50 0 IIAAHO CCCC[C@H]1CN(CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)Cc2ccccc2O1 ZINC000011970868 556382499 /nfs/dbraw/zinc/38/24/99/556382499.db2.gz KYMKQQSRKKHYRX-OEMFJLHTSA-N 1 3 427.633 4.211 50 0 IIAAHO CN1CCCN(C(=O)[C@H]2CC23CC[NH+](Cc2cccc(Oc4ccccc4)c2)CC3)CC1 ZINC000012028137 556388038 /nfs/dbraw/zinc/38/80/38/556388038.db2.gz UBNUXBIWYOHUHO-RUZDIDTESA-N 1 3 433.596 4.245 50 0 IIAAHO COc1ccccc1CN1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cc3ccccc3o2)C1 ZINC000012056889 556394578 /nfs/dbraw/zinc/39/45/78/556394578.db2.gz UUJOQRQVOHMWTE-OAQYLSRUSA-N 1 3 449.595 4.357 50 0 IIAAHO Cc1cccc(-n2cc(CN3CC[NH+](C4CCN(C)CC4)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000023374279 568613766 /nfs/dbraw/zinc/61/37/66/568613766.db2.gz FNTOPBRRVPWDRF-UHFFFAOYSA-N 1 3 447.602 4.199 50 0 IIAAHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012314270 521635202 /nfs/dbraw/zinc/63/52/02/521635202.db2.gz DZOLDJYSJACEEE-OAQYLSRUSA-N 1 3 425.539 4.298 50 0 IIAAHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012314270 521635204 /nfs/dbraw/zinc/63/52/04/521635204.db2.gz DZOLDJYSJACEEE-OAQYLSRUSA-N 1 3 425.539 4.298 50 0 IIAAHO CCn1ncc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1C ZINC000012465688 523692051 /nfs/dbraw/zinc/69/20/51/523692051.db2.gz XZBLLSABPWNJAT-MHZLTWQESA-N 1 3 436.644 4.072 50 0 IIAAHO Cc1cccn2c(CNCC3CC[NH+](C4CCCC4)CC3)c(C(=O)N3CCCCC3)nc12 ZINC000012317722 525467456 /nfs/dbraw/zinc/46/74/56/525467456.db2.gz OAKYUUKFIOYFNS-UHFFFAOYSA-N 1 3 437.632 4.013 50 0 IIAAHO COc1ccc(CNC2(c3ccccc3)CC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012051539 556392639 /nfs/dbraw/zinc/39/26/39/556392639.db2.gz SUDQJEZTBWPIQL-RUZDIDTESA-N 1 3 446.591 4.346 50 0 IIAAHO COc1ccc(CNC2(c3ccccc3)CC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012051539 556392642 /nfs/dbraw/zinc/39/26/42/556392642.db2.gz SUDQJEZTBWPIQL-RUZDIDTESA-N 1 3 446.591 4.346 50 0 IIAAHO CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)C3CC[NH+](Cc4ccco4)CC3)C2)cc1 ZINC000012709362 519436726 /nfs/dbraw/zinc/43/67/26/519436726.db2.gz OASDVEJSQHPPBF-RUZDIDTESA-N 1 3 437.628 4.471 50 0 IIAAHO COc1cc(CNCc2cccc(Cl)c2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000012301938 522467857 /nfs/dbraw/zinc/46/78/57/522467857.db2.gz KRFQWGNBMLUHHM-JOCHJYFZSA-N 1 3 432.992 4.254 50 0 IIAAHO CN1CCC(N2C[C@@H]3C[C@@H](c4ccc5c(c4)Cc4ccccc4-5)[N@@H+]4CCC[C@@]34C2=O)CC1 ZINC000012594693 523772178 /nfs/dbraw/zinc/77/21/78/523772178.db2.gz YRTREYNACSAJME-MCOVPRHSSA-N 1 3 427.592 4.090 50 0 IIAAHO CN1CCC(N2C[C@@H]3C[C@@H](c4ccc5c(c4)Cc4ccccc4-5)[N@H+]4CCC[C@@]34C2=O)CC1 ZINC000012594693 523772186 /nfs/dbraw/zinc/77/21/86/523772186.db2.gz YRTREYNACSAJME-MCOVPRHSSA-N 1 3 427.592 4.090 50 0 IIAAHO COc1ccc(CN(C)Cc2ccccc2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000014975419 556468411 /nfs/dbraw/zinc/46/84/11/556468411.db2.gz KOCUTNXTNZUUFN-RUZDIDTESA-N 1 3 434.580 4.199 50 0 IIAAHO COc1ccc(CN(C)Cc2ccccc2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000014975419 556468412 /nfs/dbraw/zinc/46/84/12/556468412.db2.gz KOCUTNXTNZUUFN-RUZDIDTESA-N 1 3 434.580 4.199 50 0 IIAAHO CCCN1CCC([N@@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000019223722 556716248 /nfs/dbraw/zinc/71/62/48/556716248.db2.gz FAMIDDLPGCYQGT-QHCPKHFHSA-N 1 3 438.582 4.166 50 0 IIAAHO CCCN1CCC([N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000019223722 556716249 /nfs/dbraw/zinc/71/62/49/556716249.db2.gz FAMIDDLPGCYQGT-QHCPKHFHSA-N 1 3 438.582 4.166 50 0 IIAAHO CCC[NH+]1CCC(N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000019223722 556716252 /nfs/dbraw/zinc/71/62/52/556716252.db2.gz FAMIDDLPGCYQGT-QHCPKHFHSA-N 1 3 438.582 4.166 50 0 IIAAHO CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)C3CC[NH+](Cc4ccco4)CC3)C2)cc1 ZINC000012709368 519436939 /nfs/dbraw/zinc/43/69/39/519436939.db2.gz OASDVEJSQHPPBF-VWLOTQADSA-N 1 3 437.628 4.471 50 0 IIAAHO COCC[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012758550 523752470 /nfs/dbraw/zinc/75/24/70/523752470.db2.gz RDLPWQIOKRQVNF-XMMPIXPASA-N 1 3 444.623 4.200 50 0 IIAAHO COCC[N@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012758550 523752476 /nfs/dbraw/zinc/75/24/76/523752476.db2.gz RDLPWQIOKRQVNF-XMMPIXPASA-N 1 3 444.623 4.200 50 0 IIAAHO COc1ccc(CNCc2cc(F)ccc2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011816860 556359638 /nfs/dbraw/zinc/35/96/38/556359638.db2.gz YQAAGTWBDVCENO-DEOSSOPVSA-N 1 3 444.591 4.438 50 0 IIAAHO CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CCN(C)CC1 ZINC000012000982 556385590 /nfs/dbraw/zinc/38/55/90/556385590.db2.gz XBNUDTPCTRPKBK-SFHVURJKSA-N 1 3 425.539 4.250 50 0 IIAAHO CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CCN(C)CC1 ZINC000012000982 556385591 /nfs/dbraw/zinc/38/55/91/556385591.db2.gz XBNUDTPCTRPKBK-SFHVURJKSA-N 1 3 425.539 4.250 50 0 IIAAHO COc1cc(CNCc2ccc(C)c(F)c2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012076252 556397965 /nfs/dbraw/zinc/39/79/65/556397965.db2.gz LELUKGPZQXVLFJ-QHCPKHFHSA-N 1 3 444.591 4.437 50 0 IIAAHO COc1cc(CNCc2ccc(C)c(F)c2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012076252 556397966 /nfs/dbraw/zinc/39/79/66/556397966.db2.gz LELUKGPZQXVLFJ-QHCPKHFHSA-N 1 3 444.591 4.437 50 0 IIAAHO CCCN1CCC([N@@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000019223719 556716160 /nfs/dbraw/zinc/71/61/60/556716160.db2.gz FAMIDDLPGCYQGT-HSZRJFAPSA-N 1 3 438.582 4.166 50 0 IIAAHO CCCN1CCC([N@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000019223719 556716162 /nfs/dbraw/zinc/71/61/62/556716162.db2.gz FAMIDDLPGCYQGT-HSZRJFAPSA-N 1 3 438.582 4.166 50 0 IIAAHO CCC[NH+]1CCC(N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000019223719 556716165 /nfs/dbraw/zinc/71/61/65/556716165.db2.gz FAMIDDLPGCYQGT-HSZRJFAPSA-N 1 3 438.582 4.166 50 0 IIAAHO c1cc(C[NH2+]C2CCCCC2)n(-c2nnc(N3CCN(C4CCCCC4)CC3)s2)c1 ZINC000007002041 569117482 /nfs/dbraw/zinc/11/74/82/569117482.db2.gz KNNTVPDXHOJFHE-UHFFFAOYSA-N 1 3 428.650 4.206 50 0 IIAAHO CC(C)N1CCC([N@@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000020777439 519670302 /nfs/dbraw/zinc/67/03/02/519670302.db2.gz WHNYRJMWXVIQHO-HSZRJFAPSA-N 1 3 438.582 4.165 50 0 IIAAHO CC(C)N1CCC([N@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000020777439 519670304 /nfs/dbraw/zinc/67/03/04/519670304.db2.gz WHNYRJMWXVIQHO-HSZRJFAPSA-N 1 3 438.582 4.165 50 0 IIAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000020777439 519670309 /nfs/dbraw/zinc/67/03/09/519670309.db2.gz WHNYRJMWXVIQHO-HSZRJFAPSA-N 1 3 438.582 4.165 50 0 IIAAHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012594674 523116262 /nfs/dbraw/zinc/11/62/62/523116262.db2.gz YOVWNJUSEWGOPL-DEOSSOPVSA-N 1 3 449.639 4.186 50 0 IIAAHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012594674 523116272 /nfs/dbraw/zinc/11/62/72/523116272.db2.gz YOVWNJUSEWGOPL-DEOSSOPVSA-N 1 3 449.639 4.186 50 0 IIAAHO COCC[N@@H+](Cc1c[nH]nc1-c1ccccc1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012304899 523740372 /nfs/dbraw/zinc/74/03/72/523740372.db2.gz WIBUSJVUNAXXDQ-UHFFFAOYSA-N 1 3 448.611 4.446 50 0 IIAAHO COCC[N@H+](Cc1c[nH]nc1-c1ccccc1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012304899 523740380 /nfs/dbraw/zinc/74/03/80/523740380.db2.gz WIBUSJVUNAXXDQ-UHFFFAOYSA-N 1 3 448.611 4.446 50 0 IIAAHO Cc1cc([C@@H]2C[C@H](C(=O)NCCN(C)C)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716792 555866001 /nfs/dbraw/zinc/86/60/01/555866001.db2.gz PHVGGZWKGIOIJO-RTWAWAEBSA-N 1 3 431.983 4.071 50 0 IIAAHO Cc1cc([C@@H]2C[C@H](C(=O)NCCN(C)C)C[N@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716792 555866006 /nfs/dbraw/zinc/86/60/06/555866006.db2.gz PHVGGZWKGIOIJO-RTWAWAEBSA-N 1 3 431.983 4.071 50 0 IIAAHO COc1cc(CNCc2cc(F)ccc2C)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011841520 556365528 /nfs/dbraw/zinc/36/55/28/556365528.db2.gz OUDWWNXBZOYCJF-XMMPIXPASA-N 1 3 444.591 4.437 50 0 IIAAHO COc1cc(CNCc2cc(F)ccc2C)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011841520 556365531 /nfs/dbraw/zinc/36/55/31/556365531.db2.gz OUDWWNXBZOYCJF-XMMPIXPASA-N 1 3 444.591 4.437 50 0 IIAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCc1ccccc1 ZINC000011879502 556371692 /nfs/dbraw/zinc/37/16/92/556371692.db2.gz BWMJXJRGKIIERS-HSZRJFAPSA-N 1 3 425.592 4.061 50 0 IIAAHO COc1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc(OC)c1OC ZINC000014962614 556464536 /nfs/dbraw/zinc/46/45/36/556464536.db2.gz PDXRPHNYSGPRGI-HSZRJFAPSA-N 1 3 446.632 4.348 50 0 IIAAHO