smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1C[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]2C1 ZINC001168002694 779253108 /nfs/dbraw/zinc/25/31/08/779253108.db2.gz UULXVGRRSAVYJK-ZWKKMZQASA-N 2 3 303.494 2.275 20 0 DEADHP CCN1C[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]2C1 ZINC001168002694 779253111 /nfs/dbraw/zinc/25/31/11/779253111.db2.gz UULXVGRRSAVYJK-ZWKKMZQASA-N 2 3 303.494 2.275 20 0 DEADHP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206167299 800482881 /nfs/dbraw/zinc/48/28/81/800482881.db2.gz YELPOWCYKFWESI-ROUUACIJSA-N 2 3 323.456 2.278 20 0 DEADHP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206167299 800482883 /nfs/dbraw/zinc/48/28/83/800482883.db2.gz YELPOWCYKFWESI-ROUUACIJSA-N 2 3 323.456 2.278 20 0 DEADHP C[NH+](C)CCOc1ccc(CN2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206616815 800565355 /nfs/dbraw/zinc/56/53/55/800565355.db2.gz QPOJVSBBNVFOSA-QGZVFWFLSA-N 2 3 305.466 2.188 20 0 DEADHP CCCC[C@@H]1C[C@@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246247356 1140877492 /nfs/dbraw/zinc/87/74/92/1140877492.db2.gz KZVAXEYNQQFUCK-IXDOHACOSA-N 2 3 309.498 2.046 20 0 DEADHP c1cncc([C@@H]2NCC[C@H]2C[NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001246340676 1140885737 /nfs/dbraw/zinc/88/57/37/1140885737.db2.gz MQIARUYFXRHDDP-BZSNNMDCSA-N 2 3 314.477 2.244 20 0 DEADHP [NH3+]CCCC[NH2+]CCCN[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001246456668 1140907802 /nfs/dbraw/zinc/90/78/02/1140907802.db2.gz LBZPOEKMXNQZLT-MSOLQXFVSA-N 2 3 305.466 2.215 20 0 DEADHP Cc1cc(F)ccc1[C@@H]1C[C@H](N2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CC[NH2+]1 ZINC001246664482 1141028743 /nfs/dbraw/zinc/02/87/43/1141028743.db2.gz YBBQRTNUJOZGGS-WAHHTSEKSA-N 2 3 303.425 2.349 20 0 DEADHP CC[NH+]1CCC(C[NH2+][C@H](CCN(C)C)c2cccnc2)CC1 ZINC001365014046 1145755441 /nfs/dbraw/zinc/75/54/41/1145755441.db2.gz MKNONWLTQUKGCL-GOSISDBHSA-N 2 3 304.482 2.396 20 0 DEADHP C[C@@H]1CN(CC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000420322601 405318577 /nfs/dbraw/zinc/31/85/77/405318577.db2.gz SSAZHYNUHUFWCN-KZNAEPCWSA-N 2 3 323.525 2.197 20 0 DEADHP C[C@@H]1CN(CC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000420322595 405318805 /nfs/dbraw/zinc/31/88/05/405318805.db2.gz SSAZHYNUHUFWCN-KURKYZTESA-N 2 3 323.525 2.197 20 0 DEADHP C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422718192 230177634 /nfs/dbraw/zinc/17/76/34/230177634.db2.gz PHOQDNSOCJVSIC-SJLPKXTDSA-N 2 3 305.466 2.234 20 0 DEADHP Cc1nc(N[C@@H](C)CC[NH+](C)C)cc(N[C@@H](C)CC[NH+](C)C)n1 ZINC000533560305 421677787 /nfs/dbraw/zinc/67/77/87/421677787.db2.gz HOHUTJWKJMMHJP-KBPBESRZSA-N 2 3 322.501 2.289 20 0 DEADHP CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)CCC[NH3+])cc2)CC1 ZINC000422889553 529149147 /nfs/dbraw/zinc/14/91/47/529149147.db2.gz GMVYBBUIETVGOP-KRWDZBQOSA-N 2 3 318.509 2.041 20 0 DEADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294909 689204276 /nfs/dbraw/zinc/20/42/76/689204276.db2.gz VWVIRZPDKXDRKN-IKGGRYGDSA-N 2 3 309.498 2.046 20 0 DEADHP CCN1CCN(CCC[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925547172 693294248 /nfs/dbraw/zinc/29/42/48/693294248.db2.gz TZWLMNXPTMYISO-IBGZPJMESA-N 2 3 318.509 2.084 20 0 DEADHP C[N@@H+]1CCC[C@H]1CCN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001578528056 1067125283 /nfs/dbraw/zinc/12/52/83/1067125283.db2.gz BUFJVLNGTHUDRK-SFHVURJKSA-N 2 3 301.478 2.463 20 0 DEADHP C[N@H+]1CCC[C@H]1CCN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001578528056 1067125285 /nfs/dbraw/zinc/12/52/85/1067125285.db2.gz BUFJVLNGTHUDRK-SFHVURJKSA-N 2 3 301.478 2.463 20 0 DEADHP C[NH2+]CC1CCN(Cc2sc(C3CC[NH2+]CC3)nc2C)CC1 ZINC001235678402 1084495745 /nfs/dbraw/zinc/49/57/45/1084495745.db2.gz LCNLYHXKCNWBSI-UHFFFAOYSA-N 2 3 322.522 2.350 20 0 DEADHP Fc1ccc(CN(C[C@H]2CC[NH2+]C2)CC2CC[NH2+]CC2)cc1 ZINC001236382754 1138357211 /nfs/dbraw/zinc/35/72/11/1138357211.db2.gz PRHOKOZPYLEENJ-KRWDZBQOSA-N 2 3 305.441 2.237 20 0 DEADHP COc1ccc(CN(CC23CC([NH3+])(C2)C3)C2CC[NH2+]CC2)cc1 ZINC001236440028 1138363110 /nfs/dbraw/zinc/36/31/10/1138363110.db2.gz JHSXALIKFJUXJW-UHFFFAOYSA-N 2 3 315.461 2.131 20 0 DEADHP COc1ccc(C[N@H+](CC23CC([NH3+])(C2)C3)C2CCNCC2)cc1 ZINC001236440028 1138363114 /nfs/dbraw/zinc/36/31/14/1138363114.db2.gz JHSXALIKFJUXJW-UHFFFAOYSA-N 2 3 315.461 2.131 20 0 DEADHP COc1ccc(C[N@@H+](CC23CC([NH3+])(C2)C3)C2CCNCC2)cc1 ZINC001236440028 1138363119 /nfs/dbraw/zinc/36/31/19/1138363119.db2.gz JHSXALIKFJUXJW-UHFFFAOYSA-N 2 3 315.461 2.131 20 0 DEADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc3n2CCNC3)CC2CC2)CC1 ZINC001236551609 1138373234 /nfs/dbraw/zinc/37/32/34/1138373234.db2.gz FFAXVEQGDPVLPM-WKILWMFISA-N 2 3 302.466 2.073 20 0 DEADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc3n2CCNC3)CC2CC2)CC1 ZINC001236551609 1138373240 /nfs/dbraw/zinc/37/32/40/1138373240.db2.gz FFAXVEQGDPVLPM-WKILWMFISA-N 2 3 302.466 2.073 20 0 DEADHP CC[C@@H]1CC(NC[C@@H]2CCC3(CC[NH2+]CC3)O2)C[C@@H](CC)[NH2+]1 ZINC001246136161 1140864849 /nfs/dbraw/zinc/86/48/49/1140864849.db2.gz RLZJTOUYVDTTJU-INMHGKMJSA-N 2 3 309.498 2.186 20 0 DEADHP CCCC[C@@H]1C[C@H]([NH2+]CC[C@H]2C[NH2+]Cc3cccn3C2)CCN1 ZINC001246145076 1140865852 /nfs/dbraw/zinc/86/58/52/1140865852.db2.gz YPUHTBYBTYTYIP-RCCFBDPRSA-N 2 3 318.509 2.498 20 0 DEADHP c1cncc([C@@H]2NCC[C@@H]2C[NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246341630 1140885841 /nfs/dbraw/zinc/88/58/41/1140885841.db2.gz PFVDZPORDZRDPG-XWSJACJDSA-N 2 3 314.477 2.244 20 0 DEADHP [NH3+]CCCC[NH2+]CCCN[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001246456669 1140909003 /nfs/dbraw/zinc/90/90/03/1140909003.db2.gz LBZPOEKMXNQZLT-QZTJIDSGSA-N 2 3 305.466 2.215 20 0 DEADHP F[C@H]1CCNC[C@]12CC[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246685777 1141034458 /nfs/dbraw/zinc/03/44/58/1141034458.db2.gz BXBMLMLSAVUHEW-IKJBURDNSA-N 2 3 309.473 2.322 20 0 DEADHP F[C@H]1CCNC[C@]12CC[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246685777 1141034465 /nfs/dbraw/zinc/03/44/65/1141034465.db2.gz BXBMLMLSAVUHEW-IKJBURDNSA-N 2 3 309.473 2.322 20 0 DEADHP Fc1ccc(C[N@H+](CC2CC[NH2+]CC2)C2CCNCC2)cc1 ZINC001246938970 1141150813 /nfs/dbraw/zinc/15/08/13/1141150813.db2.gz QQNMNURCXSNROZ-UHFFFAOYSA-N 2 3 305.441 2.379 20 0 DEADHP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)C2CCNCC2)cc1 ZINC001246938970 1141150825 /nfs/dbraw/zinc/15/08/25/1141150825.db2.gz QQNMNURCXSNROZ-UHFFFAOYSA-N 2 3 305.441 2.379 20 0 DEADHP C[C@@H]1C[C@@H](NC(=[NH2+])SCC[NH3+])CCN1Cc1ccccc1 ZINC001256522721 1143851919 /nfs/dbraw/zinc/85/19/19/1143851919.db2.gz IWJATDZKMCAEAP-HIFRSBDPSA-N 2 3 306.479 2.256 20 0 DEADHP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OCCN(C)C)cc1 ZINC000423347421 405771487 /nfs/dbraw/zinc/77/14/87/405771487.db2.gz QKFOCNMTBHATNN-HNNXBMFYSA-N 2 3 303.450 2.197 20 0 DEADHP C[C@@H]1C[C@H](C)N(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000643427610 406999389 /nfs/dbraw/zinc/99/93/89/406999389.db2.gz MVTDLSFFLHNDGO-RYRKJORJSA-N 2 3 319.493 2.432 20 0 DEADHP C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422884369 287267032 /nfs/dbraw/zinc/26/70/32/287267032.db2.gz SAQZTYHJUDLVPU-YDZRNGNQSA-N 2 3 323.525 2.388 20 0 DEADHP C[C@@H]1CCCC[N@H+]1CCCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422884369 287267033 /nfs/dbraw/zinc/26/70/33/287267033.db2.gz SAQZTYHJUDLVPU-YDZRNGNQSA-N 2 3 323.525 2.388 20 0 DEADHP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000415005101 297255294 /nfs/dbraw/zinc/25/52/94/297255294.db2.gz OVRGHYHGAKDRJJ-WXSAJPJJSA-N 2 3 319.468 2.497 20 0 DEADHP CCN([C@H]1CCOC1)C1CC[NH+](CC2CC[NH+](CC)CC2)CC1 ZINC001208597661 801023295 /nfs/dbraw/zinc/02/32/95/801023295.db2.gz KIMKQXPPXHCAHG-IBGZPJMESA-N 2 3 323.525 2.294 20 0 DEADHP c1ccc(C[N@H+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@H]3C2)cc1 ZINC000705945123 1082042988 /nfs/dbraw/zinc/04/29/88/1082042988.db2.gz CWAYJTVNWSSNKO-YCMWJMFESA-N 2 3 311.473 2.333 20 0 DEADHP c1ccc(C[N@@H+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@H]3C2)cc1 ZINC000705945123 1082042993 /nfs/dbraw/zinc/04/29/93/1082042993.db2.gz CWAYJTVNWSSNKO-YCMWJMFESA-N 2 3 311.473 2.333 20 0 DEADHP CC[C@@H]1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)O2)C[C@H](CC)[NH2+]1 ZINC001246136157 1140864766 /nfs/dbraw/zinc/86/47/66/1140864766.db2.gz RLZJTOUYVDTTJU-HZMVEIRTSA-N 2 3 309.498 2.186 20 0 DEADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCOC23CC[NH2+]CC3)CCN1 ZINC001246143105 1140865902 /nfs/dbraw/zinc/86/59/02/1140865902.db2.gz SVJGBESBXCULKW-ZACQAIPSSA-N 2 3 323.525 2.292 20 0 DEADHP CC[C@@H]1CC(NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H](CC)[NH2+]1 ZINC001246249101 1140877659 /nfs/dbraw/zinc/87/76/59/1140877659.db2.gz QEBHBZHETNZPKQ-BFYDXBDKSA-N 2 3 309.498 2.044 20 0 DEADHP [NH3+]CCCC[NH2+]CCCN[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001246457133 1140909547 /nfs/dbraw/zinc/90/95/47/1140909547.db2.gz NQAAJRGMWIEMIE-HNNXBMFYSA-N 2 3 311.420 2.130 20 0 DEADHP [NH3+][C@@H]1CCN([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1C(F)(F)F ZINC001246933831 1141141075 /nfs/dbraw/zinc/14/10/75/1141141075.db2.gz JIUVPWCUGXKFKS-AAVRWANBSA-N 2 3 305.388 2.120 20 0 DEADHP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(OCCN(C)C)c1 ZINC000562956090 292019295 /nfs/dbraw/zinc/01/92/95/292019295.db2.gz DBWANMQHPBJBNC-HNNXBMFYSA-N 2 3 305.466 2.277 20 0 DEADHP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(O)CC[NH+](C)CC2)CC1 ZINC000358649301 404771068 /nfs/dbraw/zinc/77/10/68/404771068.db2.gz KMOLEDDYPAGXGM-WMZOPIPTSA-N 2 3 323.525 2.076 20 0 DEADHP CN(C)CCOc1ccccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000415079941 404802862 /nfs/dbraw/zinc/80/28/62/404802862.db2.gz IVBRPIONDCASIW-UHFFFAOYSA-N 2 3 305.466 2.234 20 0 DEADHP COc1ccc([C@@H](CN)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000420321191 405318760 /nfs/dbraw/zinc/31/87/60/405318760.db2.gz QWHMOMFLQNJHKO-KRWDZBQOSA-N 2 3 305.466 2.011 20 0 DEADHP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(OCCN(C)C)cc1 ZINC000643533674 407011449 /nfs/dbraw/zinc/01/14/49/407011449.db2.gz AZEMACAWASWBFO-MAUKXSAKSA-N 2 3 317.477 2.420 20 0 DEADHP c1cc(N2CCC(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)ccn1 ZINC000647793033 407051888 /nfs/dbraw/zinc/05/18/88/407051888.db2.gz IQLPSZXZLBWGOR-KZNAEPCWSA-N 2 3 314.477 2.276 20 0 DEADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000422897400 230266908 /nfs/dbraw/zinc/26/69/08/230266908.db2.gz JLOYXSZJPHTNIJ-YJBOKZPZSA-N 2 3 305.466 2.105 20 0 DEADHP Cc1nc(NCC[C@H](C)[NH+](C)C)cc(NCC[C@H](C)[NH+](C)C)n1 ZINC000664243540 425342765 /nfs/dbraw/zinc/34/27/65/425342765.db2.gz LZDBLCJOFMZHEB-KBPBESRZSA-N 2 3 322.501 2.289 20 0 DEADHP [NH3+]CC1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000665240180 425524895 /nfs/dbraw/zinc/52/48/95/425524895.db2.gz FGKANIXUSVBVRB-UHFFFAOYSA-N 2 3 316.493 2.401 20 0 DEADHP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)CCCC[NH3+])cc1F ZINC000665259907 425532665 /nfs/dbraw/zinc/53/26/65/425532665.db2.gz VBBAQWAKXPEIRK-KMFMINBZSA-N 2 3 323.456 2.387 20 0 DEADHP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000580301624 333079973 /nfs/dbraw/zinc/07/99/73/333079973.db2.gz CZUVATWVUGSTSA-PCODUJHASA-N 2 3 315.461 2.349 20 0 DEADHP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccccc2)[C@@H](C)N)CC1 ZINC000925547863 625313269 /nfs/dbraw/zinc/31/32/69/625313269.db2.gz YFJNNEZFMDLJFY-MJGOQNOKSA-N 2 3 318.509 2.082 20 0 DEADHP C[C@]1([NH3+])CCCN(Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001205288194 800336804 /nfs/dbraw/zinc/33/68/04/800336804.db2.gz IAPOVGREUUCTNV-IBGZPJMESA-N 2 3 312.461 2.448 20 0 DEADHP CCCC[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CCN1 ZINC001246155275 1140867661 /nfs/dbraw/zinc/86/76/61/1140867661.db2.gz FMLZEMZQDKGLNL-BRSBDYLESA-N 2 3 309.498 2.046 20 0 DEADHP C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246246575 1140877114 /nfs/dbraw/zinc/87/71/14/1140877114.db2.gz IYJJPZPPCALSBT-IAGOWNOFSA-N 2 3 321.509 2.190 20 0 DEADHP C[C@@H]1C[C@@H]([N@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CCN1 ZINC001246705697 1141039786 /nfs/dbraw/zinc/03/97/86/1141039786.db2.gz AXYXFWYURXDARZ-PMPSAXMXSA-N 2 3 309.498 2.139 20 0 DEADHP C[C@@H]1C[C@@H]([N@@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CCN1 ZINC001246705697 1141039795 /nfs/dbraw/zinc/03/97/95/1141039795.db2.gz AXYXFWYURXDARZ-PMPSAXMXSA-N 2 3 309.498 2.139 20 0 DEADHP C[C@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C1CC[NH+](C)CC1 ZINC000162599181 539597660 /nfs/dbraw/zinc/59/76/60/539597660.db2.gz PILUVDWCRWINHB-INIZCTEOSA-N 2 3 319.493 2.447 20 0 DEADHP CC1CC[NH+](C2CCC(NC[C@@H](O)C[NH+]3CCCC3)CC2)CC1 ZINC000629571962 367256246 /nfs/dbraw/zinc/25/62/46/367256246.db2.gz KTTHPKIWMNUBFP-CTWPCTMYSA-N 2 3 323.525 2.076 20 0 DEADHP [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000414794351 404737612 /nfs/dbraw/zinc/73/76/12/404737612.db2.gz LYCJTYSPCHXIKX-IEBWSBKVSA-N 2 3 317.477 2.378 20 0 DEADHP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(OCCN(C)C)c1 ZINC000643537108 407012093 /nfs/dbraw/zinc/01/20/93/407012093.db2.gz ZKHOWZCYMWIOKW-MAUKXSAKSA-N 2 3 317.477 2.420 20 0 DEADHP CN(C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647550515 407018987 /nfs/dbraw/zinc/01/89/87/407018987.db2.gz VKOIFMYPTJYTBV-CGTJXYLNSA-N 2 3 317.477 2.105 20 0 DEADHP NC[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422991620 230307279 /nfs/dbraw/zinc/30/72/79/230307279.db2.gz OYXUWQQDEKGNJM-AEFFLSMTSA-N 2 3 302.466 2.405 20 0 DEADHP C[C@@H]1CN(CC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000420322592 288153571 /nfs/dbraw/zinc/15/35/71/288153571.db2.gz SSAZHYNUHUFWCN-KSZLIROESA-N 2 3 323.525 2.197 20 0 DEADHP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000423110500 533869670 /nfs/dbraw/zinc/86/96/70/533869670.db2.gz UVWLFYUGOYINOY-OAHLLOKOSA-N 2 3 305.466 2.377 20 0 DEADHP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000422892115 528152551 /nfs/dbraw/zinc/15/25/51/528152551.db2.gz MHIYEKGCZJTGNV-MSOLQXFVSA-N 2 3 305.466 2.377 20 0 DEADHP CC[NH+](CC)Cc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422780981 528191207 /nfs/dbraw/zinc/19/12/07/528191207.db2.gz IDISSGIWNSBFTL-AYOQOUSVSA-N 2 3 319.493 2.370 20 0 DEADHP CC(C)(C)CC[C@H](N)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000904374193 643649618 /nfs/dbraw/zinc/64/96/18/643649618.db2.gz OWIVTORPRCOHPC-VVLHAWIVSA-N 2 3 311.514 2.358 20 0 DEADHP CC(C)(C)CC[C@H](N)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000904374193 643649621 /nfs/dbraw/zinc/64/96/21/643649621.db2.gz OWIVTORPRCOHPC-VVLHAWIVSA-N 2 3 311.514 2.358 20 0 DEADHP C[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)CCN1c1cc[nH+]cc1 ZINC000883447525 691513374 /nfs/dbraw/zinc/51/33/74/691513374.db2.gz DQEVEXTWXQWUEW-MRXNPFEDSA-N 2 3 322.456 2.438 20 0 DEADHP CC1(C)[C@H](N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925883499 693359758 /nfs/dbraw/zinc/35/97/58/693359758.db2.gz ZEPXLMRTBLAYDK-NUABRCLCSA-N 2 3 313.489 2.412 20 0 DEADHP CC1(C)[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)[C@@H]2CCCN[C@@H]21 ZINC000925883499 693359761 /nfs/dbraw/zinc/35/97/61/693359761.db2.gz ZEPXLMRTBLAYDK-NUABRCLCSA-N 2 3 313.489 2.412 20 0 DEADHP COCCCN1CCC([NH+]2CCC3(CC[NH+](C)CC3)CC2)CC1 ZINC001172254040 793389833 /nfs/dbraw/zinc/38/98/33/793389833.db2.gz HNYYNMWKOBITLF-UHFFFAOYSA-N 2 3 323.525 2.295 20 0 DEADHP CC(C)(C)[C@@H]1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)CC[NH2+]1 ZINC001246171340 1140869670 /nfs/dbraw/zinc/86/96/70/1140869670.db2.gz JHHLZSYOPDHXBE-IKGGRYGDSA-N 2 3 323.525 2.292 20 0 DEADHP CC[C@@H]1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)C[C@H](CC)[NH2+]1 ZINC001246171358 1140869975 /nfs/dbraw/zinc/86/99/75/1140869975.db2.gz JMDSAHZSODIHHK-MHORFTMASA-N 2 3 323.525 2.434 20 0 DEADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246421215 1140896687 /nfs/dbraw/zinc/89/66/87/1140896687.db2.gz MQSFHALHGFIJDZ-ALXJQNPVSA-N 2 3 316.493 2.113 20 0 DEADHP CC[C@H]1C[C@@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246423125 1140896888 /nfs/dbraw/zinc/89/68/88/1140896888.db2.gz XYGBWURMXDSHEB-ROUUACIJSA-N 2 3 316.493 2.114 20 0 DEADHP CC1(C)C[C@@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246422223 1140897216 /nfs/dbraw/zinc/89/72/16/1140897216.db2.gz SKZHHDTUFQVSLY-KRWDZBQOSA-N 2 3 316.493 2.114 20 0 DEADHP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3F)CC[NH2+]CC2)CCN1 ZINC001246438811 1140898905 /nfs/dbraw/zinc/89/89/05/1140898905.db2.gz TULWEJOVFGIDLN-LSDHHAIUSA-N 2 3 305.441 2.177 20 0 DEADHP C[C@H]1C[C@H](NCC2(c3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246438811 1140898906 /nfs/dbraw/zinc/89/89/06/1140898906.db2.gz TULWEJOVFGIDLN-LSDHHAIUSA-N 2 3 305.441 2.177 20 0 DEADHP c1ccc2c(c1)C[NH2+]CC21CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246640194 1141020602 /nfs/dbraw/zinc/02/06/02/1141020602.db2.gz SOOGGSMSXXJVQM-PIIMJCKOSA-N 2 3 311.473 2.406 20 0 DEADHP CC(C)(C)[C@H]1C[C@H](N2CCC(OC3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246657919 1141027749 /nfs/dbraw/zinc/02/77/49/1141027749.db2.gz ANOZZZUHEPGQPB-CRAIPNDOSA-N 2 3 323.525 2.386 20 0 DEADHP F[C@H]1CCNC[C@]12CC[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246698461 1141037930 /nfs/dbraw/zinc/03/79/30/1141037930.db2.gz XZAJZWUFJHRPQO-WMZOPIPTSA-N 2 3 309.473 2.322 20 0 DEADHP F[C@H]1CCNC[C@]12CC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246698461 1141037939 /nfs/dbraw/zinc/03/79/39/1141037939.db2.gz XZAJZWUFJHRPQO-WMZOPIPTSA-N 2 3 309.473 2.322 20 0 DEADHP [NH3+]CCC1CCC([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256685213 1143861969 /nfs/dbraw/zinc/86/19/69/1143861969.db2.gz ZTOUHBOKGOCUTL-UHFFFAOYSA-N 2 3 309.498 2.127 20 0 DEADHP CN(C)CCOc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000666955492 540369782 /nfs/dbraw/zinc/36/97/82/540369782.db2.gz QPLRKQLCKZTUCV-QAQDUYKDSA-N 2 3 319.493 2.482 20 0 DEADHP CCN1CCN(c2ccccc2C[NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000415025579 404790172 /nfs/dbraw/zinc/79/01/72/404790172.db2.gz RFYKTEDJDSRMCC-INIZCTEOSA-N 2 3 304.482 2.046 20 0 DEADHP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643452394 407001445 /nfs/dbraw/zinc/00/14/45/407001445.db2.gz PKRKDXVAVBIARQ-KURKYZTESA-N 2 3 322.541 2.055 20 0 DEADHP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000647492263 407006961 /nfs/dbraw/zinc/00/69/61/407006961.db2.gz VUPSXPROPVYCLC-OAHLLOKOSA-N 2 3 305.466 2.186 20 0 DEADHP C[C@@H](N)[C@H]1COCC[C@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000333893025 269001102 /nfs/dbraw/zinc/00/11/02/269001102.db2.gz YMTDQGOKTDNACM-DYKAAJRGSA-N 2 3 323.525 2.371 20 0 DEADHP CC1CC[NH+](CCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422883612 278539609 /nfs/dbraw/zinc/53/96/09/278539609.db2.gz QWRIDDWGZHRWQX-GBESFXJTSA-N 2 3 323.525 2.245 20 0 DEADHP C[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)C1CC[NH+](C)CC1 ZINC000903381849 643335321 /nfs/dbraw/zinc/33/53/21/643335321.db2.gz AEYOSFNGGRMDJU-QAPCUYQASA-N 2 3 304.482 2.394 20 0 DEADHP COc1ccc([C@@H](CN)C[NH+]2CCC(C(C)(C)C[NH3+])CC2)cc1 ZINC000903791342 643456637 /nfs/dbraw/zinc/45/66/37/643456637.db2.gz UKTULEZIXHKZII-INIZCTEOSA-N 2 3 319.493 2.434 20 0 DEADHP CC1([NH+]2CCCC2)CCC(N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925824934 693347904 /nfs/dbraw/zinc/34/79/04/693347904.db2.gz XCCTWXNSMNOEGB-CIXNQNERSA-N 2 3 303.494 2.370 20 0 DEADHP Cc1cc(N2CCN(CC3(C)CC[NH+](C)CC3)CC2)cc[nH+]1 ZINC001208111987 800915360 /nfs/dbraw/zinc/91/53/60/800915360.db2.gz QDPJDAWZGPSAQX-UHFFFAOYSA-N 2 3 302.466 2.244 20 0 DEADHP [NH3+]CCCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235368958 1084411062 /nfs/dbraw/zinc/41/10/62/1084411062.db2.gz XMVKHDDRPMGRFI-RBUKOAKNSA-N 2 3 301.478 2.369 20 0 DEADHP [NH3+]CCCCC[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235368958 1084411065 /nfs/dbraw/zinc/41/10/65/1084411065.db2.gz XMVKHDDRPMGRFI-RBUKOAKNSA-N 2 3 301.478 2.369 20 0 DEADHP C[NH+]1CCC(CN2CCC3(CC2)[NH2+]CCc2ccccc23)CC1 ZINC001237274401 1138558866 /nfs/dbraw/zinc/55/88/66/1138558866.db2.gz BWAOIFUGQVXXGZ-UHFFFAOYSA-N 2 3 313.489 2.465 20 0 DEADHP C([NH2+]C1CCC2(CC[NH2+]CC2)CC1)[C@@]12CCCO[C@@H]1CCNC2 ZINC001246153451 1140867185 /nfs/dbraw/zinc/86/71/85/1140867185.db2.gz SBNDLXJMHXFECT-MJGOQNOKSA-N 2 3 321.509 2.047 20 0 DEADHP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246373365 1140889775 /nfs/dbraw/zinc/88/97/75/1140889775.db2.gz HGHLPNBOPPNKQN-ALXJQNPVSA-N 2 3 301.478 2.426 20 0 DEADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246376052 1140890494 /nfs/dbraw/zinc/89/04/94/1140890494.db2.gz KOZMJXURACNNSG-QAPCUYQASA-N 2 3 319.468 2.468 20 0 DEADHP Fc1ccc(CC2([NH2+][C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)CCNCC2)cc1 ZINC001246391936 1140893041 /nfs/dbraw/zinc/89/30/41/1140893041.db2.gz HNWLUURBCZLSHK-VQFNDLOPSA-N 2 3 317.452 2.078 20 0 DEADHP CC(C)[C@H]1C[C@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246423922 1140896998 /nfs/dbraw/zinc/89/69/98/1140896998.db2.gz RWCCJDGURNKRIR-QZTJIDSGSA-N 2 3 316.493 2.069 20 0 DEADHP C[C@@H]1C[C@H](N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246446726 1140900503 /nfs/dbraw/zinc/90/05/03/1140900503.db2.gz MEVQMCQPCDEWSV-VDHUWJSZSA-N 2 3 302.466 2.294 20 0 DEADHP C[C@@H]1C[C@H]([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246446726 1140900526 /nfs/dbraw/zinc/90/05/26/1140900526.db2.gz MEVQMCQPCDEWSV-VDHUWJSZSA-N 2 3 302.466 2.294 20 0 DEADHP C[C@@H]1C[C@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246446726 1140900539 /nfs/dbraw/zinc/90/05/39/1140900539.db2.gz MEVQMCQPCDEWSV-VDHUWJSZSA-N 2 3 302.466 2.294 20 0 DEADHP [NH3+][C@@H]1CCN([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1C(F)(F)F ZINC001246933834 1141138022 /nfs/dbraw/zinc/13/80/22/1141138022.db2.gz JIUVPWCUGXKFKS-XJFOESAGSA-N 2 3 305.388 2.120 20 0 DEADHP C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000356909294 147001132 /nfs/dbraw/zinc/00/11/32/147001132.db2.gz BVBSQTXSIXJLGC-QFBILLFUSA-N 2 3 319.493 2.447 20 0 DEADHP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000356909294 147001133 /nfs/dbraw/zinc/00/11/33/147001133.db2.gz BVBSQTXSIXJLGC-QFBILLFUSA-N 2 3 319.493 2.447 20 0 DEADHP C[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CN1CCCC1 ZINC000298441271 403383789 /nfs/dbraw/zinc/38/37/89/403383789.db2.gz NMXKWZFPYPQHOD-MRXNPFEDSA-N 2 3 302.466 2.372 20 0 DEADHP C[C@@H]1C[C@H](CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000414711939 404713895 /nfs/dbraw/zinc/71/38/95/404713895.db2.gz IHTGLKRZUVSXOG-ZHALLVOQSA-N 2 3 316.493 2.414 20 0 DEADHP CCN1CC[C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422697472 276221645 /nfs/dbraw/zinc/22/16/45/276221645.db2.gz URIGCHFGVLQZKA-SZVBFZGTSA-N 2 3 315.461 2.174 20 0 DEADHP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCCCCCC[NH3+])CC1 ZINC000844221268 651095862 /nfs/dbraw/zinc/09/58/62/651095862.db2.gz BJXGDCRDUYJAFJ-KDURUIRLSA-N 2 3 324.557 2.386 20 0 DEADHP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCCCCCC[NH3+])CC1 ZINC000844221268 651095866 /nfs/dbraw/zinc/09/58/66/651095866.db2.gz BJXGDCRDUYJAFJ-KDURUIRLSA-N 2 3 324.557 2.386 20 0 DEADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294910 689204285 /nfs/dbraw/zinc/20/42/85/689204285.db2.gz VWVIRZPDKXDRKN-IXDOHACOSA-N 2 3 309.498 2.046 20 0 DEADHP CC(C)CC[NH+]1CCC(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925540636 693292812 /nfs/dbraw/zinc/29/28/12/693292812.db2.gz DFZYCJMHWQCHME-ZWJWXYIHSA-N 2 3 305.510 2.331 20 0 DEADHP C[C@@H]1[C@H](C[NH3+])CCCN1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001205914810 800443337 /nfs/dbraw/zinc/44/33/37/800443337.db2.gz OADRMWWTPMSLFD-CABCVRRESA-N 2 3 312.461 2.304 20 0 DEADHP CN(C)CC(C)(C)C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000069644811 1079967435 /nfs/dbraw/zinc/96/74/35/1079967435.db2.gz SLVOJKNOAFNZLT-UHFFFAOYSA-N 2 3 307.482 2.304 20 0 DEADHP C[NH+](C)CCOc1ccc(CN2CC3(C2)CC[NH+](C)CC3)cc1 ZINC001138772195 1088395963 /nfs/dbraw/zinc/39/59/63/1088395963.db2.gz TYUXKNBBFFTTBM-UHFFFAOYSA-N 2 3 317.477 2.155 20 0 DEADHP CCCC[C@@H]1C[C@@H]([NH2+]C[C@@H]2COC3(C2)CC[NH2+]CC3)CCN1 ZINC001246127400 1140863625 /nfs/dbraw/zinc/86/36/25/1140863625.db2.gz PBYOHZNLWINDSU-ZACQAIPSSA-N 2 3 309.498 2.046 20 0 DEADHP CCCC[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@]3(C2)CCC[NH2+]C3)CCN1 ZINC001246155277 1140867734 /nfs/dbraw/zinc/86/77/34/1140867734.db2.gz FMLZEMZQDKGLNL-MLHJIOFPSA-N 2 3 309.498 2.046 20 0 DEADHP Fc1ccccc1C1([NH2+][C@H]2CCC3(C[NH2+]C3)C2)CCNCC1 ZINC001246434454 1140897522 /nfs/dbraw/zinc/89/75/22/1140897522.db2.gz CRGNTZWMIVZUHN-AWEZNQCLSA-N 2 3 303.425 2.136 20 0 DEADHP [NH3+]CCCC[NH2+]CCCN[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001246458908 1140907324 /nfs/dbraw/zinc/90/73/24/1140907324.db2.gz WPEWDQXNBQESBD-OAHLLOKOSA-N 2 3 311.420 2.130 20 0 DEADHP c1ccc(C[C@@H]2C[C@H](N3CCC(C4C[NH2+]C4)CC3)CC[NH2+]2)cc1 ZINC001246678934 1141034088 /nfs/dbraw/zinc/03/40/88/1141034088.db2.gz ONTFOCNLNYDNGK-WOJBJXKFSA-N 2 3 313.489 2.281 20 0 DEADHP CCCN1CCC([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])CC1 ZINC001258769319 1144039040 /nfs/dbraw/zinc/03/90/40/1144039040.db2.gz LNBRIKDXPOBTMX-UHFFFAOYSA-N 2 3 312.546 2.336 20 0 DEADHP C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000675784576 541382491 /nfs/dbraw/zinc/38/24/91/541382491.db2.gz ZGMFRXOIFAWYHT-ZACQAIPSSA-N 2 3 311.514 2.196 20 0 DEADHP C[NH+]1CCC(C)(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000297607275 134664043 /nfs/dbraw/zinc/66/40/43/134664043.db2.gz KIRKLJRXRLCJTQ-UHFFFAOYSA-N 2 3 302.466 2.372 20 0 DEADHP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCCCC[NH2+]1 ZINC000565717681 292177373 /nfs/dbraw/zinc/17/73/73/292177373.db2.gz QSNRZXNPPBDFBR-QGZVFWFLSA-N 2 3 307.482 2.289 20 0 DEADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC[C@@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000414834855 404744781 /nfs/dbraw/zinc/74/47/81/404744781.db2.gz QYYLEUAEYRHSHP-LEAZDLGRSA-N 2 3 313.489 2.486 20 0 DEADHP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CNC1 ZINC000423005428 405695999 /nfs/dbraw/zinc/69/59/99/405695999.db2.gz SBWOPJGJOBUTOU-RYRKJORJSA-N 2 3 301.478 2.485 20 0 DEADHP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CNC1 ZINC000423005428 405696000 /nfs/dbraw/zinc/69/60/00/405696000.db2.gz SBWOPJGJOBUTOU-RYRKJORJSA-N 2 3 301.478 2.485 20 0 DEADHP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(OCCN(C)C)c1 ZINC000423248103 405735048 /nfs/dbraw/zinc/73/50/48/405735048.db2.gz MOPRDMMYSUGVQK-CVEARBPZSA-N 2 3 305.466 2.277 20 0 DEADHP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(OCCN(C)C)c1 ZINC000423248106 405735710 /nfs/dbraw/zinc/73/57/10/405735710.db2.gz MOPRDMMYSUGVQK-JKSUJKDBSA-N 2 3 305.466 2.277 20 0 DEADHP c1ccc(CN2C[C@H]3CC[C@@H]([NH2+]CC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423348192 405771106 /nfs/dbraw/zinc/77/11/06/405771106.db2.gz SEQBTXAKQMOOSH-VAMGGRTRSA-N 2 3 311.473 2.406 20 0 DEADHP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](NCC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423348192 405771113 /nfs/dbraw/zinc/77/11/13/405771113.db2.gz SEQBTXAKQMOOSH-VAMGGRTRSA-N 2 3 311.473 2.406 20 0 DEADHP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](NCC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423348192 405771118 /nfs/dbraw/zinc/77/11/18/405771118.db2.gz SEQBTXAKQMOOSH-VAMGGRTRSA-N 2 3 311.473 2.406 20 0 DEADHP CN(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647789466 407051229 /nfs/dbraw/zinc/05/12/29/407051229.db2.gz GCMYUFKYPJHJTG-FGTMMUONSA-N 2 3 317.477 2.105 20 0 DEADHP CC[NH+](CC)C1CCC([NH2+]CCN2CCN(C(C)C)CC2)CC1 ZINC001173103676 793579584 /nfs/dbraw/zinc/57/95/84/793579584.db2.gz OFFZDFGULHURHK-UHFFFAOYSA-N 2 3 324.557 2.255 20 0 DEADHP CC[NH+](CC)CCCN1CCN(CC2CC[NH+](CC)CC2)CC1 ZINC001208597028 801023237 /nfs/dbraw/zinc/02/32/37/801023237.db2.gz ANSRCAUQAXTJMM-UHFFFAOYSA-N 2 3 324.557 2.068 20 0 DEADHP C[N@H+](CCCC[NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CC1 ZINC001462309981 1058800398 /nfs/dbraw/zinc/80/03/98/1058800398.db2.gz LLMLRKXTQFQVFD-UHFFFAOYSA-N 2 3 323.525 2.484 20 0 DEADHP C[N@@H+](CCCC[NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CC1 ZINC001462309981 1058800435 /nfs/dbraw/zinc/80/04/35/1058800435.db2.gz LLMLRKXTQFQVFD-UHFFFAOYSA-N 2 3 323.525 2.484 20 0 DEADHP C[N@@H+]1CCC[C@H](CCN[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)C1 ZINC001578529529 1067127221 /nfs/dbraw/zinc/12/72/21/1067127221.db2.gz XPJKGEJVNIOGRI-NZSAHSFTSA-N 2 3 301.478 2.454 20 0 DEADHP C[N@H+]1CCC[C@H](CCN[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)C1 ZINC001578529529 1067127224 /nfs/dbraw/zinc/12/72/24/1067127224.db2.gz XPJKGEJVNIOGRI-NZSAHSFTSA-N 2 3 301.478 2.454 20 0 DEADHP FC(F)(F)[C@]1(CN[C@H]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]C1 ZINC001246115724 1091700101 /nfs/dbraw/zinc/70/01/01/1091700101.db2.gz SPKISEWKAQZTQB-GXTWGEPZSA-N 2 3 305.388 2.040 20 0 DEADHP Cc1cc(F)cc(CN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C2CC[NH2+]CC2)c1 ZINC001236481381 1138367071 /nfs/dbraw/zinc/36/70/71/1138367071.db2.gz UYRSXMNNTYWOHI-BWTSREIZSA-N 2 3 317.452 2.154 20 0 DEADHP Cc1cc(F)cc(C[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C2CCNCC2)c1 ZINC001236481381 1138367076 /nfs/dbraw/zinc/36/70/76/1138367076.db2.gz UYRSXMNNTYWOHI-BWTSREIZSA-N 2 3 317.452 2.154 20 0 DEADHP Cc1cc(F)cc(C[N@@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C2CCNCC2)c1 ZINC001236481381 1138367079 /nfs/dbraw/zinc/36/70/79/1138367079.db2.gz UYRSXMNNTYWOHI-BWTSREIZSA-N 2 3 317.452 2.154 20 0 DEADHP CC[C@@H]1C[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)CO2)C[C@H](CC)[NH2+]1 ZINC001246173572 1140870014 /nfs/dbraw/zinc/87/00/14/1140870014.db2.gz JMDSAHZSODIHHK-VSZNYVQBSA-N 2 3 323.525 2.434 20 0 DEADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC3(CC[NH2+]CC3)C2)CCN1 ZINC001246256075 1140878523 /nfs/dbraw/zinc/87/85/23/1140878523.db2.gz NLQNVYRIOMRJOE-XHSDSOJGSA-N 2 3 309.498 2.044 20 0 DEADHP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCN1 ZINC001246362576 1140887887 /nfs/dbraw/zinc/88/78/87/1140887887.db2.gz AVJQZFFUEVCWPK-MAUKXSAKSA-N 2 3 302.466 2.024 20 0 DEADHP Fc1ccccc1C[NH+]1CCC(C[NH2+]C2CCNCC2)CC1 ZINC001246359633 1140887963 /nfs/dbraw/zinc/88/79/63/1140887963.db2.gz HYXIJHPXVONHMJ-UHFFFAOYSA-N 2 3 305.441 2.379 20 0 DEADHP CCCC[C@H]1C[C@@H]([NH2+]CC2(CCOC)CC[NH2+]CC2)CCN1 ZINC001246372602 1140889564 /nfs/dbraw/zinc/88/95/64/1140889564.db2.gz SXBNNIWBOHCWFX-IRXDYDNUSA-N 2 3 311.514 2.293 20 0 DEADHP [NH3+]C[C@@H]1CN(C2CCC3(CC[NH2+]CC3)CC2)CCC1(F)F ZINC001246562497 1140968033 /nfs/dbraw/zinc/96/80/33/1140968033.db2.gz SFCIITGINSQSFX-CYBMUJFWSA-N 2 3 301.425 2.215 20 0 DEADHP F[C@@H]1CCNC[C@]12CC[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246698452 1141039196 /nfs/dbraw/zinc/03/91/96/1141039196.db2.gz XZAJZWUFJHRPQO-AEFFLSMTSA-N 2 3 309.473 2.322 20 0 DEADHP F[C@@H]1CCNC[C@]12CC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246698452 1141039205 /nfs/dbraw/zinc/03/92/05/1141039205.db2.gz XZAJZWUFJHRPQO-AEFFLSMTSA-N 2 3 309.473 2.322 20 0 DEADHP C[NH+]1CCC(NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000237168262 356295471 /nfs/dbraw/zinc/29/54/71/356295471.db2.gz XHYRZVSSUYPPSW-UHFFFAOYSA-N 2 3 317.477 2.345 20 0 DEADHP [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000414794354 404737881 /nfs/dbraw/zinc/73/78/81/404737881.db2.gz LYCJTYSPCHXIKX-MJGOQNOKSA-N 2 3 317.477 2.378 20 0 DEADHP CC(C)C[C@H](CN)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423262571 405741040 /nfs/dbraw/zinc/74/10/40/405741040.db2.gz MSUJKYQUFZEWPX-KYJSFNMBSA-N 2 3 303.450 2.205 20 0 DEADHP C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422884366 287267103 /nfs/dbraw/zinc/26/71/03/287267103.db2.gz SAQZTYHJUDLVPU-AKHDSKFASA-N 2 3 323.525 2.388 20 0 DEADHP C[C@@H]1CCCC[N@H+]1CCCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422884366 287267106 /nfs/dbraw/zinc/26/71/06/287267106.db2.gz SAQZTYHJUDLVPU-AKHDSKFASA-N 2 3 323.525 2.388 20 0 DEADHP C[NH+](C)CCCOc1cnccc1CNC1CCC(C[NH3+])CC1 ZINC000423124865 230359066 /nfs/dbraw/zinc/35/90/66/230359066.db2.gz MUOWNUNXGYWCAC-UHFFFAOYSA-N 2 3 320.481 2.019 20 0 DEADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CC1 ZINC000422831877 277353788 /nfs/dbraw/zinc/35/37/88/277353788.db2.gz FKTLLNSUACBBAI-CGTJXYLNSA-N 2 3 311.514 2.086 20 0 DEADHP C[C@@H]1CN(CC2CC[NH+](CCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000359207285 288152610 /nfs/dbraw/zinc/15/26/10/288152610.db2.gz ARAPZYKZWSMSMN-CALCHBBNSA-N 2 3 323.525 2.197 20 0 DEADHP C[C@H]1C[C@H](C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000415005098 300492651 /nfs/dbraw/zinc/49/26/51/300492651.db2.gz OVRGHYHGAKDRJJ-JHDROBOHSA-N 2 3 319.468 2.497 20 0 DEADHP CC[NH+](CC)CCOCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423029935 528144137 /nfs/dbraw/zinc/14/41/37/528144137.db2.gz ATKGCVCNZAPKAB-OKZBNKHCSA-N 2 3 311.514 2.245 20 0 DEADHP c1ccc(CN(CC2CC[NH2+]CC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000261732102 636284057 /nfs/dbraw/zinc/28/40/57/636284057.db2.gz MADJESBETDQIJE-SFHVURJKSA-N 2 3 302.466 2.025 20 0 DEADHP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCCCCCC[NH3+])CC1 ZINC000844221273 651095930 /nfs/dbraw/zinc/09/59/30/651095930.db2.gz BJXGDCRDUYJAFJ-RTBURBONSA-N 2 3 324.557 2.386 20 0 DEADHP [NH3+]CCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064195 793315168 /nfs/dbraw/zinc/31/51/68/793315168.db2.gz FPFKCGMLDJMOKY-REPLKXPHSA-N 2 3 317.477 2.137 20 0 DEADHP [NH3+]CCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064195 793315177 /nfs/dbraw/zinc/31/51/77/793315177.db2.gz FPFKCGMLDJMOKY-REPLKXPHSA-N 2 3 317.477 2.137 20 0 DEADHP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206167298 793457138 /nfs/dbraw/zinc/45/71/38/793457138.db2.gz YELPOWCYKFWESI-QZTJIDSGSA-N 2 3 323.456 2.278 20 0 DEADHP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206167298 793457141 /nfs/dbraw/zinc/45/71/41/793457141.db2.gz YELPOWCYKFWESI-QZTJIDSGSA-N 2 3 323.456 2.278 20 0 DEADHP C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218973359 802267628 /nfs/dbraw/zinc/26/76/28/802267628.db2.gz ZEWJATIXCSCVFL-INIZCTEOSA-N 2 3 318.465 2.022 20 0 DEADHP CC1(N2CCOCC2)CCC([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001551403405 1074207242 /nfs/dbraw/zinc/20/72/42/1074207242.db2.gz TXIXGEKRYWROSB-PNIOZXJOSA-N 2 3 321.509 2.140 20 0 DEADHP [NH3+][C@H]1CC[C@H](N(Cc2ccccn2)CC2(F)CC[NH2+]CC2)CC1 ZINC001236671273 1138392854 /nfs/dbraw/zinc/39/28/54/1138392854.db2.gz GJWPSRITRKJQFS-JCNLHEQBSA-N 2 3 320.456 2.245 20 0 DEADHP [NH3+][C@H]1CCC12CCN(Cc1cn3c4c1cccc4C[NH2+]CC3)CC2 ZINC001237358379 1138592020 /nfs/dbraw/zinc/59/20/20/1138592020.db2.gz HDKWTZRGKSTSKK-SFHVURJKSA-N 2 3 324.472 2.448 20 0 DEADHP FC(F)(F)[C@@]1(CNC2CCC3(CCC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001246112831 1140862840 /nfs/dbraw/zinc/86/28/40/1140862840.db2.gz OQYPEHWOGRBQSD-NRXISQOPSA-N 2 3 319.415 2.430 20 0 DEADHP C([NH2+]C1CCC2(CCC[NH2+]C2)CC1)[C@@]12CCCO[C@@H]1CCNC2 ZINC001246142715 1140866285 /nfs/dbraw/zinc/86/62/85/1140866285.db2.gz GENINWPZEHZIST-CHPDAQJUSA-N 2 3 321.509 2.047 20 0 DEADHP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCN1 ZINC001246362578 1140888037 /nfs/dbraw/zinc/88/80/37/1140888037.db2.gz AVJQZFFUEVCWPK-YJBOKZPZSA-N 2 3 302.466 2.024 20 0 DEADHP CCCC[C@H]1C[C@H](N2CCC(C3=CC=C(N)C[NH2+]3)CC2)CC[NH2+]1 ZINC001246492209 1140921299 /nfs/dbraw/zinc/92/12/99/1140921299.db2.gz BWZSZDRJSSSGNL-ZWKOTPCHSA-N 2 3 318.509 2.339 20 0 DEADHP CCCN1C[C@H]2C[NH+](C3CCN(c4cc[nH+]cc4)CC3)C[C@@H]2C1 ZINC001256865341 1143872187 /nfs/dbraw/zinc/87/21/87/1143872187.db2.gz YXBICLZVZAABOT-IRXDYDNUSA-N 2 3 314.477 2.324 20 0 DEADHP C[C@@H]1CCC[N@H+](CCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422873815 296388093 /nfs/dbraw/zinc/38/80/93/296388093.db2.gz BEHPFBXPKTXIET-NCXUSEDFSA-N 2 3 323.525 2.245 20 0 DEADHP C[C@@H]1CCC[N@@H+](CCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422873815 296388095 /nfs/dbraw/zinc/38/80/95/296388095.db2.gz BEHPFBXPKTXIET-NCXUSEDFSA-N 2 3 323.525 2.245 20 0 DEADHP CC(C)N1CC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000314886580 404005001 /nfs/dbraw/zinc/00/50/01/404005001.db2.gz ILFNXAFJWMGSQE-MRXNPFEDSA-N 2 3 302.466 2.370 20 0 DEADHP [NH3+][C@@H]1CCC[C@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000519701199 406238445 /nfs/dbraw/zinc/23/84/45/406238445.db2.gz AKJQWKYWBMRSPC-CEXWTWQISA-N 2 3 317.477 2.003 20 0 DEADHP [NH3+][C@@H]1CCC[C@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000519701199 406238450 /nfs/dbraw/zinc/23/84/50/406238450.db2.gz AKJQWKYWBMRSPC-CEXWTWQISA-N 2 3 317.477 2.003 20 0 DEADHP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2CN)cc1 ZINC000422741548 230186307 /nfs/dbraw/zinc/18/63/07/230186307.db2.gz OUBSEXQONZERPC-PKOBYXMFSA-N 2 3 319.493 2.277 20 0 DEADHP c1cc(CN2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)ccn1 ZINC000665240431 425527302 /nfs/dbraw/zinc/52/73/02/425527302.db2.gz KSRIMFCYYXLNCF-DFNIBXOVSA-N 2 3 314.477 2.166 20 0 DEADHP C[C@H](CCCC[NH3+])[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000665240682 425527564 /nfs/dbraw/zinc/52/75/64/425527564.db2.gz QESPKOPMTVNZGX-MRXNPFEDSA-N 2 3 304.482 2.401 20 0 DEADHP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000422734369 533846277 /nfs/dbraw/zinc/84/62/77/533846277.db2.gz CPWJBXQPCCROKB-MRXNPFEDSA-N 2 3 319.493 2.250 20 0 DEADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422854363 528038364 /nfs/dbraw/zinc/03/83/64/528038364.db2.gz UDOYMRFSVJNFLX-ZJPYXAASSA-N 2 3 311.514 2.244 20 0 DEADHP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000422892118 528152016 /nfs/dbraw/zinc/15/20/16/528152016.db2.gz MHIYEKGCZJTGNV-ROUUACIJSA-N 2 3 305.466 2.377 20 0 DEADHP CC1CC[NH+](CCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422883614 528237391 /nfs/dbraw/zinc/23/73/91/528237391.db2.gz QWRIDDWGZHRWQX-IPMKNSEASA-N 2 3 323.525 2.245 20 0 DEADHP C[C@@H]1CC2(C[N@@H+]1Cc1cc3c(s1)CCNC3)CC[NH2+]CC2 ZINC000873213514 689185248 /nfs/dbraw/zinc/18/52/48/689185248.db2.gz GAGMVJOYUPPVCZ-CYBMUJFWSA-N 2 3 305.491 2.358 20 0 DEADHP C[C@@H]1CC2(C[N@H+]1Cc1cc3c(s1)CCNC3)CC[NH2+]CC2 ZINC000873213514 689185250 /nfs/dbraw/zinc/18/52/50/689185250.db2.gz GAGMVJOYUPPVCZ-CYBMUJFWSA-N 2 3 305.491 2.358 20 0 DEADHP C[C@@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)C1CNC1 ZINC000873243305 689191896 /nfs/dbraw/zinc/19/18/96/689191896.db2.gz WFHLMHBMAUEVPR-MRXNPFEDSA-N 2 3 301.478 2.486 20 0 DEADHP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC1CC(C[NH3+])(c2ccccc2)C1 ZINC001550946329 1073969566 /nfs/dbraw/zinc/96/95/66/1073969566.db2.gz ZEPXLMRTBLAYDK-VVJOJPPRSA-N 2 3 313.489 2.412 20 0 DEADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C1CC(C[NH3+])(c2ccccc2)C1 ZINC001550946329 1073969571 /nfs/dbraw/zinc/96/95/71/1073969571.db2.gz ZEPXLMRTBLAYDK-VVJOJPPRSA-N 2 3 313.489 2.412 20 0 DEADHP CC[NH+]1CCC(CN2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC001413261047 1083476777 /nfs/dbraw/zinc/47/67/77/1083476777.db2.gz LWENJVMNVCSDCF-MRXNPFEDSA-N 2 3 302.466 2.324 20 0 DEADHP Fc1ccc(CN(C[C@@H]2CC[NH2+]C2)CC2CC[NH2+]CC2)cc1 ZINC001236382755 1138357012 /nfs/dbraw/zinc/35/70/12/1138357012.db2.gz PRHOKOZPYLEENJ-QGZVFWFLSA-N 2 3 305.441 2.237 20 0 DEADHP Cc1ccc(F)cc1CN(CCC1C[NH2+]C1)C1CC[NH2+]CC1 ZINC001236509202 1138369398 /nfs/dbraw/zinc/36/93/98/1138369398.db2.gz KDOMRLXUFRXTER-UHFFFAOYSA-N 2 3 305.441 2.298 20 0 DEADHP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)CCN1 ZINC001246364516 1140888643 /nfs/dbraw/zinc/88/86/43/1140888643.db2.gz HPEFASVEDGHHAV-NVXWUHKLSA-N 2 3 302.466 2.024 20 0 DEADHP Fc1cccc(CC2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)c1 ZINC001246376790 1140891073 /nfs/dbraw/zinc/89/10/73/1140891073.db2.gz NODIXQCVKPJGAS-UHFFFAOYSA-N 2 3 305.441 2.080 20 0 DEADHP COc1ccccc1C1(C[NH2+][C@H]2CCN[C@H](C)C2)CC[NH2+]CC1 ZINC001246416568 1140895860 /nfs/dbraw/zinc/89/58/60/1140895860.db2.gz SCYXDCKMBGWWLI-CVEARBPZSA-N 2 3 317.477 2.047 20 0 DEADHP CC[C@@H]1C[C@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246423122 1140896937 /nfs/dbraw/zinc/89/69/37/1140896937.db2.gz XYGBWURMXDSHEB-QZTJIDSGSA-N 2 3 316.493 2.114 20 0 DEADHP [NH3+]CCCC[NH2+]CCCN[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001246456670 1140909221 /nfs/dbraw/zinc/90/92/21/1140909221.db2.gz LBZPOEKMXNQZLT-ROUUACIJSA-N 2 3 305.466 2.215 20 0 DEADHP NC1([C@@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]2CF)CC1 ZINC001246687741 1141034795 /nfs/dbraw/zinc/03/47/95/1141034795.db2.gz FPROZTFRWKKVDO-GDBMZVCRSA-N 2 3 309.473 2.308 20 0 DEADHP NC1([C@@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]2CF)CC1 ZINC001246687741 1141034808 /nfs/dbraw/zinc/03/48/08/1141034808.db2.gz FPROZTFRWKKVDO-GDBMZVCRSA-N 2 3 309.473 2.308 20 0 DEADHP C[C@@H]1C[C@@H]([N@H+]([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CCN1 ZINC001246705693 1141040023 /nfs/dbraw/zinc/04/00/23/1141040023.db2.gz AXYXFWYURXDARZ-OWCLPIDISA-N 2 3 309.498 2.139 20 0 DEADHP C[C@@H]1C[C@@H]([N@@H+]([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CCN1 ZINC001246705693 1141040033 /nfs/dbraw/zinc/04/00/33/1141040033.db2.gz AXYXFWYURXDARZ-OWCLPIDISA-N 2 3 309.498 2.139 20 0 DEADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC[C@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000414834857 404744840 /nfs/dbraw/zinc/74/48/40/404744840.db2.gz QYYLEUAEYRHSHP-MDNKFWRPSA-N 2 3 313.489 2.486 20 0 DEADHP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OCCN(C)C)cc1 ZINC000423347422 405771625 /nfs/dbraw/zinc/77/16/25/405771625.db2.gz QKFOCNMTBHATNN-OAHLLOKOSA-N 2 3 303.450 2.197 20 0 DEADHP CCN1CC[C@H](C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422697470 276222177 /nfs/dbraw/zinc/22/21/77/276222177.db2.gz URIGCHFGVLQZKA-HHXXYDBFSA-N 2 3 315.461 2.174 20 0 DEADHP C(CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CC[NH+]1CCCCC1 ZINC000422722013 277713945 /nfs/dbraw/zinc/71/39/45/277713945.db2.gz WPFLBWXFRNWBJB-GUDVDZBRSA-N 2 3 323.525 2.389 20 0 DEADHP C[C@H]([NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CNC1 ZINC000902518396 643062526 /nfs/dbraw/zinc/06/25/26/643062526.db2.gz QGUOZLJINPZMMG-NFBUACBFSA-N 2 3 313.489 2.485 20 0 DEADHP C[C@H]([NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CNC1 ZINC000902518396 643062527 /nfs/dbraw/zinc/06/25/27/643062527.db2.gz QGUOZLJINPZMMG-NFBUACBFSA-N 2 3 313.489 2.485 20 0 DEADHP CC1(C)[C@@H](N[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925883494 693359687 /nfs/dbraw/zinc/35/96/87/693359687.db2.gz ZEPXLMRTBLAYDK-JGLNRKDHSA-N 2 3 313.489 2.412 20 0 DEADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925883494 693359692 /nfs/dbraw/zinc/35/96/92/693359692.db2.gz ZEPXLMRTBLAYDK-JGLNRKDHSA-N 2 3 313.489 2.412 20 0 DEADHP [NH2+]=C(NCCCC[NH3+])Nc1ccc(F)c(CN2CCCC2)c1 ZINC001167884211 778747913 /nfs/dbraw/zinc/74/79/13/778747913.db2.gz SYBURVMNMICNSQ-UHFFFAOYSA-N 2 3 307.417 2.097 20 0 DEADHP C[NH+](C)C1CCC(N2CCC([NH3+])(c3cccnc3)CC2)CC1 ZINC001168305275 780818875 /nfs/dbraw/zinc/81/88/75/780818875.db2.gz GNNQRNPINJTBPX-UHFFFAOYSA-N 2 3 302.466 2.204 20 0 DEADHP [NH3+]Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)cc1 ZINC001222601830 802715285 /nfs/dbraw/zinc/71/52/85/802715285.db2.gz AQZPYKUTDJHHJZ-LJQANCHMSA-N 2 3 307.441 2.334 20 0 DEADHP [NH3+]Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)cc1 ZINC001222601830 802715286 /nfs/dbraw/zinc/71/52/86/802715286.db2.gz AQZPYKUTDJHHJZ-LJQANCHMSA-N 2 3 307.441 2.334 20 0 DEADHP C[NH+]1CCC(C)(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)CC1 ZINC001474386450 1060862527 /nfs/dbraw/zinc/86/25/27/1060862527.db2.gz DGOSDLZPYLMYFT-UHFFFAOYSA-N 2 3 323.525 2.341 20 0 DEADHP C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CC[NH+](C)CC1 ZINC001551389215 1074200684 /nfs/dbraw/zinc/20/06/84/1074200684.db2.gz JYXMHKBJQLCGOT-IPJUCJBFSA-N 2 3 323.525 2.340 20 0 DEADHP C1CC2(C[C@@H]1[NH2+]C1CCC(N3CCOCC3)CC1)CC[NH2+]CC2 ZINC001246127484 1140864482 /nfs/dbraw/zinc/86/44/82/1140864482.db2.gz HXVTZZONNMMYAB-LXPRWKDFSA-N 2 3 321.509 2.142 20 0 DEADHP CCCC[C@@H]1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)CC[NH2+]1 ZINC001246189392 1140871746 /nfs/dbraw/zinc/87/17/46/1140871746.db2.gz XTMNNLDMTGOCRH-KURKYZTESA-N 2 3 323.525 2.436 20 0 DEADHP c1csc(C[NH+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@@H]3C2)c1 ZINC001246710250 1141039329 /nfs/dbraw/zinc/03/93/29/1141039329.db2.gz VSGFMFHIBLMEHT-UIJGJVKASA-N 2 3 317.502 2.395 20 0 DEADHP CC[NH+](CC)CCCN1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420981204 279094755 /nfs/dbraw/zinc/09/47/55/279094755.db2.gz MTOGKFQWHSMJNQ-UHFFFAOYSA-N 2 3 324.557 2.210 20 0 DEADHP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000422705255 533845933 /nfs/dbraw/zinc/84/59/33/533845933.db2.gz BOGXLYSALNDKJO-QGZVFWFLSA-N 2 3 318.509 2.041 20 0 DEADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000422907977 534463240 /nfs/dbraw/zinc/46/32/40/534463240.db2.gz CNDAGWOQBSGFEZ-ZWJWXYIHSA-N 2 3 323.525 2.386 20 0 DEADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422860219 528837480 /nfs/dbraw/zinc/83/74/80/528837480.db2.gz LANFEKULNWITIA-ZYSHUDEJSA-N 2 3 319.493 2.369 20 0 DEADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422860219 528837486 /nfs/dbraw/zinc/83/74/86/528837486.db2.gz LANFEKULNWITIA-ZYSHUDEJSA-N 2 3 319.493 2.369 20 0 DEADHP [NH3+]Cc1cccc(C[N@@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)c1 ZINC001222610004 802717106 /nfs/dbraw/zinc/71/71/06/802717106.db2.gz URIZQLGYIMMEEA-LJQANCHMSA-N 2 3 307.441 2.334 20 0 DEADHP [NH3+]Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)C3(CNC3)C2)c1 ZINC001222610004 802717110 /nfs/dbraw/zinc/71/71/10/802717110.db2.gz URIZQLGYIMMEEA-LJQANCHMSA-N 2 3 307.441 2.334 20 0 DEADHP CC1([NH+]2CCOCC2)CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC001551381749 1074197654 /nfs/dbraw/zinc/19/76/54/1074197654.db2.gz YAEDFJGRNUBQQS-NALMEZQBSA-N 2 3 309.498 2.127 20 0 DEADHP CN(C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236322418 1138351944 /nfs/dbraw/zinc/35/19/44/1138351944.db2.gz WHEMJMBBYVWKAX-CALCHBBNSA-N 2 3 305.441 2.319 20 0 DEADHP CN(C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236322418 1138351948 /nfs/dbraw/zinc/35/19/48/1138351948.db2.gz WHEMJMBBYVWKAX-CALCHBBNSA-N 2 3 305.441 2.319 20 0 DEADHP CC[C@@H]1C[C@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](CC)[NH2+]1 ZINC001246249103 1140877721 /nfs/dbraw/zinc/87/77/21/1140877721.db2.gz QEBHBZHETNZPKQ-HZMVEIRTSA-N 2 3 309.498 2.044 20 0 DEADHP CCCC[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC3(CC[NH2+]CC3)C2)CCN1 ZINC001246252395 1140878395 /nfs/dbraw/zinc/87/83/95/1140878395.db2.gz ANJCJIRDMBYMPM-IXDOHACOSA-N 2 3 309.498 2.188 20 0 DEADHP CC[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CCN1 ZINC001246376255 1140890352 /nfs/dbraw/zinc/89/03/52/1140890352.db2.gz VMCBEOCMMHPANE-QZTJIDSGSA-N 2 3 301.478 2.428 20 0 DEADHP Fc1ccc(CC2([NH2+][C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CCNCC2)cc1 ZINC001246391935 1140893180 /nfs/dbraw/zinc/89/31/80/1140893180.db2.gz HNWLUURBCZLSHK-ALXJQNPVSA-N 2 3 317.452 2.078 20 0 DEADHP COc1ccccc1C1(C[NH2+][C@H]2CCCCNC2)CC[NH2+]CC1 ZINC001246413537 1140895950 /nfs/dbraw/zinc/89/59/50/1140895950.db2.gz DOXMONFKLLWYDH-INIZCTEOSA-N 2 3 317.477 2.048 20 0 DEADHP NC1([C@@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]2CF)CC1 ZINC001246687743 1141035236 /nfs/dbraw/zinc/03/52/36/1141035236.db2.gz FPROZTFRWKKVDO-GOEBONIOSA-N 2 3 309.473 2.308 20 0 DEADHP NC1([C@@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]2CF)CC1 ZINC001246687743 1141035245 /nfs/dbraw/zinc/03/52/45/1141035245.db2.gz FPROZTFRWKKVDO-GOEBONIOSA-N 2 3 309.473 2.308 20 0 DEADHP c1ccc(CN([C@H]2CSC3(C[NH2+]C3)C2)C2CC[NH2+]CC2)cc1 ZINC001246912943 1141116035 /nfs/dbraw/zinc/11/60/35/1141116035.db2.gz HLSWTDQFAOOIKD-QGZVFWFLSA-N 2 3 317.502 2.088 20 0 DEADHP c1ccc(C[N@H+]([C@H]2CSC3(C[NH2+]C3)C2)C2CCNCC2)cc1 ZINC001246912943 1141116059 /nfs/dbraw/zinc/11/60/59/1141116059.db2.gz HLSWTDQFAOOIKD-QGZVFWFLSA-N 2 3 317.502 2.088 20 0 DEADHP c1ccc(C[N@@H+]([C@H]2CSC3(C[NH2+]C3)C2)C2CCNCC2)cc1 ZINC001246912943 1141116068 /nfs/dbraw/zinc/11/60/68/1141116068.db2.gz HLSWTDQFAOOIKD-QGZVFWFLSA-N 2 3 317.502 2.088 20 0 DEADHP C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000675784565 541382692 /nfs/dbraw/zinc/38/26/92/541382692.db2.gz ZGMFRXOIFAWYHT-BBWFWOEESA-N 2 3 311.514 2.196 20 0 DEADHP CC1CC[NH+](C2CCC(NC[C@H](O)C[NH+]3CCCC3)CC2)CC1 ZINC000629571956 367256742 /nfs/dbraw/zinc/25/67/42/367256742.db2.gz KTTHPKIWMNUBFP-ACBHZAAOSA-N 2 3 323.525 2.076 20 0 DEADHP COc1ccc([C@@H](CN)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420308828 405313982 /nfs/dbraw/zinc/31/39/82/405313982.db2.gz DNHYOMVKOVYVHW-MSOLQXFVSA-N 2 3 317.477 2.059 20 0 DEADHP C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000567915637 406160709 /nfs/dbraw/zinc/16/07/09/406160709.db2.gz ZDXUFTNRUAFCFB-IAGOWNOFSA-N 2 3 305.466 2.377 20 0 DEADHP C[C@@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)C1CC[NH+](C)CC1 ZINC000643544718 407012752 /nfs/dbraw/zinc/01/27/52/407012752.db2.gz DCPWYZQBPDNFGR-CSCXSELSSA-N 2 3 305.510 2.460 20 0 DEADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCC[NH+]2CCCCC2)C1 ZINC000652363802 425250104 /nfs/dbraw/zinc/25/01/04/425250104.db2.gz NVFSXLHDNIRRRA-SQNIBIBYSA-N 2 3 309.498 2.223 20 0 DEADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CC1 ZINC000422831879 527725513 /nfs/dbraw/zinc/72/55/13/527725513.db2.gz FKTLLNSUACBBAI-KBAYOESNSA-N 2 3 311.514 2.086 20 0 DEADHP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000422906698 528835007 /nfs/dbraw/zinc/83/50/07/528835007.db2.gz AFQZSKPHZSNDDP-ZYSHUDEJSA-N 2 3 319.493 2.369 20 0 DEADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000422906698 528835013 /nfs/dbraw/zinc/83/50/13/528835013.db2.gz AFQZSKPHZSNDDP-ZYSHUDEJSA-N 2 3 319.493 2.369 20 0 DEADHP COC[C@H](CCC[NH3+])NC1CC[NH+](CC2CCCCC2)CC1 ZINC000817897349 647375298 /nfs/dbraw/zinc/37/52/98/647375298.db2.gz LLANJERPRKOTNW-SFHVURJKSA-N 2 3 311.514 2.375 20 0 DEADHP COC[C@H](CCC[NH3+])[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000817897349 647375303 /nfs/dbraw/zinc/37/53/03/647375303.db2.gz LLANJERPRKOTNW-SFHVURJKSA-N 2 3 311.514 2.375 20 0 DEADHP CC(C)N1CC[C@@H](C[NH2+]C2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001363901688 1153707141 /nfs/dbraw/zinc/70/71/41/1153707141.db2.gz HSWSDGKPRIJROP-VIQWUECVSA-N 2 3 323.525 2.340 20 0 DEADHP CC[NH+](CC)CCC[C@@H](C)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001167838969 778698329 /nfs/dbraw/zinc/69/83/29/778698329.db2.gz XGPLCPQRVNFOIW-LJQANCHMSA-N 2 3 324.557 2.210 20 0 DEADHP CCN1C[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]2C1 ZINC001168002693 779253436 /nfs/dbraw/zinc/25/34/36/779253436.db2.gz UULXVGRRSAVYJK-MKAJOQBOSA-N 2 3 303.494 2.275 20 0 DEADHP CCN1C[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]2C1 ZINC001168002693 779253442 /nfs/dbraw/zinc/25/34/42/779253442.db2.gz UULXVGRRSAVYJK-MKAJOQBOSA-N 2 3 303.494 2.275 20 0 DEADHP CCN1C[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]2C1 ZINC001168002693 779253448 /nfs/dbraw/zinc/25/34/48/779253448.db2.gz UULXVGRRSAVYJK-MKAJOQBOSA-N 2 3 303.494 2.275 20 0 DEADHP CCN1C[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]2C1 ZINC001168002693 779253451 /nfs/dbraw/zinc/25/34/51/779253451.db2.gz UULXVGRRSAVYJK-MKAJOQBOSA-N 2 3 303.494 2.275 20 0 DEADHP CN(C)CCC[NH+](CCCN(C)C)C1CCC([NH+](C)C)CC1 ZINC001168323815 780840223 /nfs/dbraw/zinc/84/02/23/780840223.db2.gz CZQQZLGNOJLGGT-UHFFFAOYSA-N 2 3 312.546 2.065 20 0 DEADHP C[NH+](C)CCOc1ccc(CN2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206616814 800565997 /nfs/dbraw/zinc/56/59/97/800565997.db2.gz QPOJVSBBNVFOSA-KRWDZBQOSA-N 2 3 305.466 2.188 20 0 DEADHP CCN([C@@H]1CCOC1)C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208113257 800915694 /nfs/dbraw/zinc/91/56/94/800915694.db2.gz FOVALLSAXSALRE-GOSISDBHSA-N 2 3 323.525 2.294 20 0 DEADHP c1cncc([C@@H]2NCC[C@@H]2C[NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001246341634 1140885831 /nfs/dbraw/zinc/88/58/31/1140885831.db2.gz PFVDZPORDZRDPG-YRXWBPOGSA-N 2 3 314.477 2.244 20 0 DEADHP COCCC1(C[NH2+][C@@H]2CCN[C@H](C(C)(C)C)C2)CC[NH2+]CC1 ZINC001246373435 1140889825 /nfs/dbraw/zinc/88/98/25/1140889825.db2.gz YGNWJULRSCKTCZ-CVEARBPZSA-N 2 3 311.514 2.149 20 0 DEADHP COc1ccccc1C1(C[NH2+][C@H]2CCN[C@@H](C)C2)CC[NH2+]CC1 ZINC001246416572 1140895735 /nfs/dbraw/zinc/89/57/35/1140895735.db2.gz SCYXDCKMBGWWLI-HOTGVXAUSA-N 2 3 317.477 2.047 20 0 DEADHP COc1ccc(C2(C[NH2+][C@@H]3CCN[C@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246414937 1140896063 /nfs/dbraw/zinc/89/60/63/1140896063.db2.gz JLQSFYWAMMNKEL-NVXWUHKLSA-N 2 3 317.477 2.047 20 0 DEADHP Fc1ccccc1C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246437578 1140899005 /nfs/dbraw/zinc/89/90/05/1140899005.db2.gz PZLWRWHULAFNCX-ZSHCYNCHSA-N 2 3 317.452 2.320 20 0 DEADHP C([C@@H]1CCCNC1)[N@H+](C1CCCC1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246933427 1141142597 /nfs/dbraw/zinc/14/25/97/1141142597.db2.gz IPMPPOUZZKYFDI-GDBMZVCRSA-N 2 3 309.523 2.078 20 0 DEADHP C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246933427 1141142637 /nfs/dbraw/zinc/14/26/37/1141142637.db2.gz IPMPPOUZZKYFDI-GDBMZVCRSA-N 2 3 309.523 2.078 20 0 DEADHP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001255952074 1143816203 /nfs/dbraw/zinc/81/62/03/1143816203.db2.gz CKDQBSVAHKVEMC-KZNAEPCWSA-N 2 3 311.514 2.340 20 0 DEADHP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001255952072 1143816332 /nfs/dbraw/zinc/81/63/32/1143816332.db2.gz CKDQBSVAHKVEMC-BZSNNMDCSA-N 2 3 311.514 2.340 20 0 DEADHP C[NH+](C)CC1CCC([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256686670 1143862259 /nfs/dbraw/zinc/86/22/59/1143862259.db2.gz AYULLAGLXMJDRL-UHFFFAOYSA-N 2 3 323.525 2.340 20 0 DEADHP c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000309694667 403962233 /nfs/dbraw/zinc/96/22/33/403962233.db2.gz CZDIXLROELQUQR-XUVXKRRUSA-N 2 3 313.489 2.486 20 0 DEADHP CCN1CCN(c2ccccc2C[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000415012935 404787999 /nfs/dbraw/zinc/78/79/99/404787999.db2.gz JVRSBCZMTAOKGV-QGZVFWFLSA-N 2 3 318.509 2.436 20 0 DEADHP CCCC[C@H](CN)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423304595 405754971 /nfs/dbraw/zinc/75/49/71/405754971.db2.gz ZCJQDTKMHXAVGH-KYJSFNMBSA-N 2 3 303.450 2.349 20 0 DEADHP CN(C)CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647789510 407051359 /nfs/dbraw/zinc/05/13/59/407051359.db2.gz GTSIJODFGMXJJH-FGTMMUONSA-N 2 3 317.477 2.105 20 0 DEADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422915258 230275636 /nfs/dbraw/zinc/27/56/36/230275636.db2.gz XUQDDSZQWGVKFU-HZPDHXFCSA-N 2 3 305.466 2.377 20 0 DEADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422854360 528038235 /nfs/dbraw/zinc/03/82/35/528038235.db2.gz UDOYMRFSVJNFLX-BRSBDYLESA-N 2 3 311.514 2.244 20 0 DEADHP CC[NH+](CC)Cc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422780982 528191189 /nfs/dbraw/zinc/19/11/89/528191189.db2.gz IDISSGIWNSBFTL-KFKAGJAMSA-N 2 3 319.493 2.370 20 0 DEADHP C[C@H]1CN(Cc2cccc3c2CC[NH2+]C3)CCN1c1cc[nH+]cc1 ZINC000883447524 691513548 /nfs/dbraw/zinc/51/35/48/691513548.db2.gz DQEVEXTWXQWUEW-INIZCTEOSA-N 2 3 322.456 2.438 20 0 DEADHP C[NH+](C)CCOc1ccc(CN2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205274350 795891689 /nfs/dbraw/zinc/89/16/89/795891689.db2.gz VYNFTPLQEXCKHI-SFHVURJKSA-N 2 3 305.466 2.330 20 0 DEADHP C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)C1CC[NH+](C)CC1 ZINC001551389216 1074200431 /nfs/dbraw/zinc/20/04/31/1074200431.db2.gz JYXMHKBJQLCGOT-IVMQYODDSA-N 2 3 323.525 2.340 20 0 DEADHP C[C@@H]1C[NH+](CC2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC001553304897 1074835026 /nfs/dbraw/zinc/83/50/26/1074835026.db2.gz NNTGIZKJNXTGHE-ZHALLVOQSA-N 2 3 323.525 2.197 20 0 DEADHP CCC[N@H+](CCCN(C)C)Cc1ccccc1N1CC[NH2+]CC1 ZINC001236323249 1138352362 /nfs/dbraw/zinc/35/23/62/1138352362.db2.gz ZSMYTRNWKCUVAU-UHFFFAOYSA-N 2 3 318.509 2.260 20 0 DEADHP CCC[N@@H+](CCCN(C)C)Cc1ccccc1N1CC[NH2+]CC1 ZINC001236323249 1138352366 /nfs/dbraw/zinc/35/23/66/1138352366.db2.gz ZSMYTRNWKCUVAU-UHFFFAOYSA-N 2 3 318.509 2.260 20 0 DEADHP CC[C@@H]1C[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)O2)C[C@H](CC)[NH2+]1 ZINC001246136165 1140864726 /nfs/dbraw/zinc/86/47/26/1140864726.db2.gz RLZJTOUYVDTTJU-LTIDMASMSA-N 2 3 309.498 2.186 20 0 DEADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[NH2+]Cc3cccn3C2)CCN1 ZINC001246138532 1140865711 /nfs/dbraw/zinc/86/57/11/1140865711.db2.gz JKCKMBDJMYVPCO-NUJGCVRESA-N 2 3 318.509 2.354 20 0 DEADHP CC[C@@H]1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)C[C@H](CC)[NH2+]1 ZINC001246171359 1140869739 /nfs/dbraw/zinc/86/97/39/1140869739.db2.gz JMDSAHZSODIHHK-MLHJIOFPSA-N 2 3 323.525 2.434 20 0 DEADHP CCCC[C@@H]1C[C@@H]([NH2+]CC2(CCOC)CC[NH2+]CC2)CCN1 ZINC001246372603 1140889867 /nfs/dbraw/zinc/88/98/67/1140889867.db2.gz SXBNNIWBOHCWFX-SJORKVTESA-N 2 3 311.514 2.293 20 0 DEADHP CC1(C)C[C@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CCN1 ZINC001246377009 1140890749 /nfs/dbraw/zinc/89/07/49/1140890749.db2.gz XVGAQBZPSNXXOW-QGZVFWFLSA-N 2 3 301.478 2.428 20 0 DEADHP Fc1ccccc1CC1([NH2+][C@@H]2CCC3(C[NH2+]C3)C2)CCNCC1 ZINC001246381293 1140891357 /nfs/dbraw/zinc/89/13/57/1140891357.db2.gz ONLGGNWOVBFHSY-MRXNPFEDSA-N 2 3 317.452 2.222 20 0 DEADHP C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CCN1 ZINC001246387095 1140892236 /nfs/dbraw/zinc/89/22/36/1140892236.db2.gz UZELHKCVNKELBO-YJBOKZPZSA-N 2 3 319.468 2.468 20 0 DEADHP CC(C)[C@H]1C[C@@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246426015 1140897199 /nfs/dbraw/zinc/89/71/99/1140897199.db2.gz FGHCXUZCWKNONK-DLBZAZTESA-N 2 3 316.493 2.069 20 0 DEADHP C([C@H]1CCCNC1)[N@H+](C1CCCC1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246933432 1141139317 /nfs/dbraw/zinc/13/93/17/1141139317.db2.gz IPMPPOUZZKYFDI-HOCLYGCPSA-N 2 3 309.523 2.078 20 0 DEADHP C([C@H]1CCCNC1)[N@@H+](C1CCCC1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246933432 1141139345 /nfs/dbraw/zinc/13/93/45/1141139345.db2.gz IPMPPOUZZKYFDI-HOCLYGCPSA-N 2 3 309.523 2.078 20 0 DEADHP C[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1CC[NH+](C)CC1 ZINC000162525216 539597705 /nfs/dbraw/zinc/59/77/05/539597705.db2.gz GHVWKQQMWJKUCM-MRXNPFEDSA-N 2 3 319.493 2.447 20 0 DEADHP [NH3+]C[C@H](CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000424283491 405057874 /nfs/dbraw/zinc/05/78/74/405057874.db2.gz NEYLHKXVEFCZCO-GVDBMIGSSA-N 2 3 305.441 2.190 20 0 DEADHP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cccc(OCCN(C)C)c1 ZINC000423492733 405824504 /nfs/dbraw/zinc/82/45/04/405824504.db2.gz OLGQKRBNIKHFFT-ZOBUZTSGSA-N 2 3 305.466 2.405 20 0 DEADHP CN(C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647550516 407019149 /nfs/dbraw/zinc/01/91/49/407019149.db2.gz VKOIFMYPTJYTBV-KBAYOESNSA-N 2 3 317.477 2.105 20 0 DEADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000422978946 230303470 /nfs/dbraw/zinc/30/34/70/230303470.db2.gz LCQVAPWIBJKBLN-INDMIFKZSA-N 2 3 323.525 2.124 20 0 DEADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000422978946 230303473 /nfs/dbraw/zinc/30/34/73/230303473.db2.gz LCQVAPWIBJKBLN-INDMIFKZSA-N 2 3 323.525 2.124 20 0 DEADHP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)CCCC[NH3+])cc1F ZINC000665259908 425531869 /nfs/dbraw/zinc/53/18/69/425531869.db2.gz VBBAQWAKXPEIRK-QRTARXTBSA-N 2 3 323.456 2.387 20 0 DEADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CC1 ZINC000422831874 527725888 /nfs/dbraw/zinc/72/58/88/527725888.db2.gz FKTLLNSUACBBAI-BPQIPLTHSA-N 2 3 311.514 2.086 20 0 DEADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C[C@@H](C)O1 ZINC000925569710 693299442 /nfs/dbraw/zinc/29/94/42/693299442.db2.gz SKEFTIKPIKJHBH-WCXIOVBPSA-N 2 3 311.514 2.371 20 0 DEADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C[C@H](C)O1 ZINC000925569711 693299494 /nfs/dbraw/zinc/29/94/94/693299494.db2.gz SKEFTIKPIKJHBH-YYIAUSFCSA-N 2 3 311.514 2.371 20 0 DEADHP [NH3+]CCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172064194 793316482 /nfs/dbraw/zinc/31/64/82/793316482.db2.gz FPFKCGMLDJMOKY-LDLYASANSA-N 2 3 317.477 2.137 20 0 DEADHP [NH3+]CCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064194 793316486 /nfs/dbraw/zinc/31/64/86/793316486.db2.gz FPFKCGMLDJMOKY-LDLYASANSA-N 2 3 317.477 2.137 20 0 DEADHP CC[C@@H](NC1CCC(C)([NH+]2CCOCC2)CC1)[C@H]1CCC[NH2+]1 ZINC001551379246 1074196336 /nfs/dbraw/zinc/19/63/36/1074196336.db2.gz IUJBEDBNFSAXAF-QLOLRVAOSA-N 2 3 309.498 2.140 20 0 DEADHP C[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@@H]1CCCC[C@H]1N ZINC001236215048 1138340675 /nfs/dbraw/zinc/34/06/75/1138340675.db2.gz HBFXNIHNIMEDBN-QZTJIDSGSA-N 2 3 312.461 2.446 20 0 DEADHP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@@H]1CCCC[C@H]1N ZINC001236215048 1138340677 /nfs/dbraw/zinc/34/06/77/1138340677.db2.gz HBFXNIHNIMEDBN-QZTJIDSGSA-N 2 3 312.461 2.446 20 0 DEADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2nc3c(s2)CNCC3)CC2CC2)CC1 ZINC001236551132 1138373919 /nfs/dbraw/zinc/37/39/19/1138373919.db2.gz MAAWZIJUSRENAQ-HDJSIYSDSA-N 2 3 320.506 2.271 20 0 DEADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2nc3c(s2)CNCC3)CC2CC2)CC1 ZINC001236551132 1138373922 /nfs/dbraw/zinc/37/39/22/1138373922.db2.gz MAAWZIJUSRENAQ-HDJSIYSDSA-N 2 3 320.506 2.271 20 0 DEADHP CC(C)(C)[C@@H]1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001246130263 1140864080 /nfs/dbraw/zinc/86/40/80/1140864080.db2.gz GIGALUMRSLEDDI-JYJNAYRXSA-N 2 3 309.498 2.044 20 0 DEADHP CCCC[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CCN1 ZINC001246155278 1140867644 /nfs/dbraw/zinc/86/76/44/1140867644.db2.gz FMLZEMZQDKGLNL-TVFCKZIOSA-N 2 3 309.498 2.046 20 0 DEADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCOC3(CC[NH2+]CC3)C2)CCN1 ZINC001246256072 1140878640 /nfs/dbraw/zinc/87/86/40/1140878640.db2.gz NLQNVYRIOMRJOE-JYJNAYRXSA-N 2 3 309.498 2.044 20 0 DEADHP C[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3F)CC[NH2+]CC2)CCN1 ZINC001246436405 1140898428 /nfs/dbraw/zinc/89/84/28/1140898428.db2.gz XTIYXOQJYXHCNA-DOTOQJQBSA-N 2 3 319.468 2.468 20 0 DEADHP CCN1CCC[C@H]1C[N@H+](CCN(C)C)CC1CC[NH+](CC)CC1 ZINC001308743326 1147485034 /nfs/dbraw/zinc/48/50/34/1147485034.db2.gz SXUVMGWHEGYVMR-IBGZPJMESA-N 2 3 324.557 2.066 20 0 DEADHP CCN1CCC[C@H]1C[N@@H+](CCN(C)C)CC1CC[NH+](CC)CC1 ZINC001308743326 1147485037 /nfs/dbraw/zinc/48/50/37/1147485037.db2.gz SXUVMGWHEGYVMR-IBGZPJMESA-N 2 3 324.557 2.066 20 0 DEADHP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000447591972 239034013 /nfs/dbraw/zinc/03/40/13/239034013.db2.gz JMFFEVRJHCMPNZ-MJGOQNOKSA-N 2 3 319.493 2.065 20 0 DEADHP CC[NH+](CC)CCOC1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000348213566 146235525 /nfs/dbraw/zinc/23/55/25/146235525.db2.gz WTCDSDLNGOPFIE-QGZVFWFLSA-N 2 3 311.514 2.294 20 0 DEADHP CC1CC[NH+](CCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422883611 405689928 /nfs/dbraw/zinc/68/99/28/405689928.db2.gz QWRIDDWGZHRWQX-CEXWTWQISA-N 2 3 323.525 2.245 20 0 DEADHP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(OCCN(C)C)cc1 ZINC000423493937 405826350 /nfs/dbraw/zinc/82/63/50/405826350.db2.gz RKENPRBPVBOKHL-UXLLHSPISA-N 2 3 305.466 2.405 20 0 DEADHP CN(C)CCOc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000647535657 407015689 /nfs/dbraw/zinc/01/56/89/407015689.db2.gz OSKZJBCWYAVOSV-MRXNPFEDSA-N 2 3 305.466 2.188 20 0 DEADHP CN(C)CCOc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000647535657 407015691 /nfs/dbraw/zinc/01/56/91/407015691.db2.gz OSKZJBCWYAVOSV-MRXNPFEDSA-N 2 3 305.466 2.188 20 0 DEADHP Cc1nc(NCC[C@@H](C)[NH+](C)C)cc(NCC[C@@H](C)[NH+](C)C)n1 ZINC000664243542 425342774 /nfs/dbraw/zinc/34/27/74/425342774.db2.gz LZDBLCJOFMZHEB-ZIAGYGMSSA-N 2 3 322.501 2.289 20 0 DEADHP C[NH2+]Cc1ccccc1CNCc1cc2c(s1)CC[NH2+]C2 ZINC000873213524 689185618 /nfs/dbraw/zinc/18/56/18/689185618.db2.gz GLVRJOVSICCROM-UHFFFAOYSA-N 2 3 301.459 2.403 20 0 DEADHP C([NH2+][C@H]1CCCCC12CC[NH2+]CC2)c1nc2c(s1)CNCC2 ZINC000873231243 689190229 /nfs/dbraw/zinc/19/02/29/689190229.db2.gz LPTZWNVUPISGDO-HNNXBMFYSA-N 2 3 320.506 2.191 20 0 DEADHP C1[NH2+][C@H]2[C@H](NC3CCC([NH+]4CCCCC4)CC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000925543078 693293694 /nfs/dbraw/zinc/29/36/94/693293694.db2.gz QFESFEXKRYOAFU-JASLQONBSA-N 2 3 303.494 2.370 20 0 DEADHP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CC1 ZINC001168305873 780820983 /nfs/dbraw/zinc/82/09/83/780820983.db2.gz OXRDRRVXHHRCSL-QXINMDOSSA-N 2 3 309.498 2.092 20 0 DEADHP c1c(CN2CCC3(CC[NH2+]C3)CC2)c2cccc3c2n1CC[NH2+]C3 ZINC001235105348 1084313153 /nfs/dbraw/zinc/31/31/53/1084313153.db2.gz CAKHFLUGITYWMH-UHFFFAOYSA-N 2 3 324.472 2.320 20 0 DEADHP CCN(Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@@H]1CC[NH2+]C1 ZINC001236410598 1138359246 /nfs/dbraw/zinc/35/92/46/1138359246.db2.gz HPUCSYATLRPROF-OAHLLOKOSA-N 2 3 312.461 2.176 20 0 DEADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc3n2CCNC3)C2CCC2)CC1 ZINC001236572512 1138377243 /nfs/dbraw/zinc/37/72/43/1138377243.db2.gz NRYUCMLTSHSAID-KOMQPUFPSA-N 2 3 302.466 2.216 20 0 DEADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc3n2CCNC3)C2CCC2)CC1 ZINC001236572512 1138377248 /nfs/dbraw/zinc/37/72/48/1138377248.db2.gz NRYUCMLTSHSAID-KOMQPUFPSA-N 2 3 302.466 2.216 20 0 DEADHP C[C@H]1C[C@H]([NH2+]CC2(Cc3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246376051 1140890344 /nfs/dbraw/zinc/89/03/44/1140890344.db2.gz KOZMJXURACNNSG-MAUKXSAKSA-N 2 3 319.468 2.468 20 0 DEADHP C[C@H]1C[C@@H]([NH2+]CC2(c3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246389245 1140892968 /nfs/dbraw/zinc/89/29/68/1140892968.db2.gz PTFWJOVOCMLWLG-YOEHRIQHSA-N 2 3 305.441 2.177 20 0 DEADHP CCCC[C@@H]1C[C@H](N2CCC(C3=CC=C(N)C[NH2+]3)CC2)CC[NH2+]1 ZINC001246492205 1140922214 /nfs/dbraw/zinc/92/22/14/1140922214.db2.gz BWZSZDRJSSSGNL-QZTJIDSGSA-N 2 3 318.509 2.339 20 0 DEADHP [NH3+]CCC1CCN([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246578166 1140977742 /nfs/dbraw/zinc/97/77/42/1140977742.db2.gz GNWLAJQFJBDGOV-OALUTQOASA-N 2 3 301.478 2.411 20 0 DEADHP C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008001 406396944 /nfs/dbraw/zinc/39/69/44/406396944.db2.gz CHLNDIDCUHDSQJ-HZPDHXFCSA-N 2 3 317.481 2.214 20 0 DEADHP CN(C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647550517 407019027 /nfs/dbraw/zinc/01/90/27/407019027.db2.gz VKOIFMYPTJYTBV-RYQLBKOJSA-N 2 3 317.477 2.105 20 0 DEADHP C[C@@H]1C[C@H](C)N(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000643427611 406999278 /nfs/dbraw/zinc/99/92/78/406999278.db2.gz MVTDLSFFLHNDGO-SOLBZPMBSA-N 2 3 319.493 2.432 20 0 DEADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643452396 407001383 /nfs/dbraw/zinc/00/13/83/407001383.db2.gz PKRKDXVAVBIARQ-SQNIBIBYSA-N 2 3 322.541 2.055 20 0 DEADHP C(CC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1)C[NH+]1CCCC1 ZINC000662280190 425611703 /nfs/dbraw/zinc/61/17/03/425611703.db2.gz YNDFQFDARYAWPZ-SFHVURJKSA-N 2 3 321.509 2.095 20 0 DEADHP C[C@@H]1CN(CC2CC[NH+](CCC3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000359207290 296993909 /nfs/dbraw/zinc/99/39/09/296993909.db2.gz ARAPZYKZWSMSMN-IAGOWNOFSA-N 2 3 323.525 2.197 20 0 DEADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000577373034 326361236 /nfs/dbraw/zinc/36/12/36/326361236.db2.gz FVTJZQZLRJTNPY-CVEARBPZSA-N 2 3 318.509 2.432 20 0 DEADHP COC[C@@H](CCC[NH3+])NC1CC[NH+](CC2CCCCC2)CC1 ZINC000817897348 647375286 /nfs/dbraw/zinc/37/52/86/647375286.db2.gz LLANJERPRKOTNW-GOSISDBHSA-N 2 3 311.514 2.375 20 0 DEADHP COC[C@@H](CCC[NH3+])[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000817897348 647375289 /nfs/dbraw/zinc/37/52/89/647375289.db2.gz LLANJERPRKOTNW-GOSISDBHSA-N 2 3 311.514 2.375 20 0 DEADHP CN1CCCC[C@@H](C[NH2+]C2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001423325802 1173242837 /nfs/dbraw/zinc/24/28/37/1173242837.db2.gz FCOCBFKKNORLLQ-VIQWUECVSA-N 2 3 323.525 2.341 20 0 DEADHP CN1CCC(N(c2cc3[nH]ccc3c[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001158574604 798432125 /nfs/dbraw/zinc/43/21/25/798432125.db2.gz AKVGGCOEXFDVGK-UHFFFAOYSA-N 2 3 313.449 2.216 20 0 DEADHP C[C@@H]1CCN(Cc2cn3c4c2cccc4C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC001205314216 800341254 /nfs/dbraw/zinc/34/12/54/800341254.db2.gz ADHVWISSQXFPRV-ZBFHGGJFSA-N 2 3 312.461 2.161 20 0 DEADHP C[C@H]1C[C@@H](C[NH2+]CC2CCN(Cc3ccncc3)CC2)CC[NH2+]1 ZINC001576598803 1066642268 /nfs/dbraw/zinc/64/22/68/1066642268.db2.gz PHZZOIUEOOKHMD-LPHOPBHVSA-N 2 3 316.493 2.271 20 0 DEADHP FC(F)(F)[C@@]1(CN[C@@H]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]C1 ZINC001246115746 1091700064 /nfs/dbraw/zinc/70/00/64/1091700064.db2.gz SPKISEWKAQZTQB-OCCSQVGLSA-N 2 3 305.388 2.040 20 0 DEADHP CCC[N@H+](Cc1cccc(N2CC[NH2+]CC2)c1)C1CCNCC1 ZINC001236182374 1138338613 /nfs/dbraw/zinc/33/86/13/1138338613.db2.gz MZRQOCHCFMIQIT-UHFFFAOYSA-N 2 3 316.493 2.060 20 0 DEADHP CCC[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)C1CCNCC1 ZINC001236182374 1138338616 /nfs/dbraw/zinc/33/86/16/1138338616.db2.gz MZRQOCHCFMIQIT-UHFFFAOYSA-N 2 3 316.493 2.060 20 0 DEADHP CC[C@@H]1CC(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)C[C@@H](CC)[NH2+]1 ZINC001246171357 1140869592 /nfs/dbraw/zinc/86/95/92/1140869592.db2.gz JMDSAHZSODIHHK-JFIYKMOQSA-N 2 3 323.525 2.434 20 0 DEADHP CC1(C)C[C@@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246420566 1140896324 /nfs/dbraw/zinc/89/63/24/1140896324.db2.gz JRLHCPSRYFGQEJ-KRWDZBQOSA-N 2 3 316.493 2.114 20 0 DEADHP [NH3+]C[C@H]1CN(C2CCC3(CC[NH2+]CC3)CC2)CCC1(F)F ZINC001246562498 1140967012 /nfs/dbraw/zinc/96/70/12/1140967012.db2.gz SFCIITGINSQSFX-ZDUSSCGKSA-N 2 3 301.425 2.215 20 0 DEADHP C1CCC2(CC1)C[C@H](N1CCOCC3(CC[NH2+]CC3)C1)CC[NH2+]2 ZINC001246611003 1141002754 /nfs/dbraw/zinc/00/27/54/1141002754.db2.gz DTJXYDXBWAOGBK-QGZVFWFLSA-N 2 3 321.509 2.143 20 0 DEADHP C1CCC2(CC1)C[C@@H](N1CCOCC3(CC[NH2+]CC3)C1)CC[NH2+]2 ZINC001246611000 1141003114 /nfs/dbraw/zinc/00/31/14/1141003114.db2.gz DTJXYDXBWAOGBK-KRWDZBQOSA-N 2 3 321.509 2.143 20 0 DEADHP C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)C2 ZINC001246936989 1141146280 /nfs/dbraw/zinc/14/62/80/1141146280.db2.gz XXTUHTNNROXTOM-MKAJOQBOSA-N 2 3 303.494 2.323 20 0 DEADHP C(C1CC1)N1[C@@H]2CC[C@H]1CC([N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)C2 ZINC001246936989 1141146306 /nfs/dbraw/zinc/14/63/06/1141146306.db2.gz XXTUHTNNROXTOM-MKAJOQBOSA-N 2 3 303.494 2.323 20 0 DEADHP CC[NH+](CC)CC[C@@H](C)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001255970477 1143817918 /nfs/dbraw/zinc/81/79/18/1143817918.db2.gz CMSQFFYGZRKEBZ-GOSISDBHSA-N 2 3 324.557 2.066 20 0 DEADHP C[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@]1(C)C[NH3+] ZINC000666983172 540375295 /nfs/dbraw/zinc/37/52/95/540375295.db2.gz XICXUYGORHYMHB-CRAIPNDOSA-N 2 3 305.466 2.044 20 0 DEADHP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OCCN(C)C)cc1 ZINC000423240706 405734139 /nfs/dbraw/zinc/73/41/39/405734139.db2.gz CQTRSMGLXWRKKS-HOTGVXAUSA-N 2 3 305.466 2.277 20 0 DEADHP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cccc(OCCN(C)C)c1 ZINC000423492730 405825194 /nfs/dbraw/zinc/82/51/94/405825194.db2.gz OLGQKRBNIKHFFT-UXLLHSPISA-N 2 3 305.466 2.405 20 0 DEADHP [NH3+][C@@H]1CCC[C@H](NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000519779400 406251541 /nfs/dbraw/zinc/25/15/41/406251541.db2.gz RPWSEKAELPVCOQ-MSOLQXFVSA-N 2 3 317.477 2.003 20 0 DEADHP CCC[NH+]1CCN(c2ccccc2CN[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000647552194 407019493 /nfs/dbraw/zinc/01/94/93/407019493.db2.gz MCZVFLRKGCSJAF-DLBZAZTESA-N 2 3 318.509 2.434 20 0 DEADHP C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422718191 230176521 /nfs/dbraw/zinc/17/65/21/230176521.db2.gz PHOQDNSOCJVSIC-FUHWJXTLSA-N 2 3 305.466 2.234 20 0 DEADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422915257 230274768 /nfs/dbraw/zinc/27/47/68/230274768.db2.gz XUQDDSZQWGVKFU-HOTGVXAUSA-N 2 3 305.466 2.377 20 0 DEADHP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000422741546 289171627 /nfs/dbraw/zinc/17/16/27/289171627.db2.gz OUBSEXQONZERPC-IEBWSBKVSA-N 2 3 319.493 2.277 20 0 DEADHP [NH3+]Cc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000580075755 332930022 /nfs/dbraw/zinc/93/00/22/332930022.db2.gz YPXJNVPRGCXLGC-AZUAARDMSA-N 2 3 323.440 2.491 20 0 DEADHP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422794600 528200397 /nfs/dbraw/zinc/20/03/97/528200397.db2.gz UNGODYGPVQIBKK-AYOQOUSVSA-N 2 3 319.493 2.370 20 0 DEADHP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422794604 528200409 /nfs/dbraw/zinc/20/04/09/528200409.db2.gz UNGODYGPVQIBKK-ZYSHUDEJSA-N 2 3 319.493 2.370 20 0 DEADHP CSC1(C[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC[NH+](C)CC1 ZINC000925668627 693321554 /nfs/dbraw/zinc/32/15/54/693321554.db2.gz IWVCSGYLELEIKT-ILXRZTDVSA-N 2 3 311.539 2.180 20 0 DEADHP C[C@H]1CN(Cc2ccc(OCCC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC001205130473 782681089 /nfs/dbraw/zinc/68/10/89/782681089.db2.gz FGDPDEBCPBKDFJ-DOTOQJQBSA-N 2 3 305.466 2.044 20 0 DEADHP c1c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c2cccc3c2n1CC[NH2+]C3 ZINC001222629896 802718514 /nfs/dbraw/zinc/71/85/14/802718514.db2.gz RGHKEVCSTMSIMO-IYBDPMFKSA-N 2 3 324.472 2.176 20 0 DEADHP CC1([NH+]2CCOCC2)CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC001551381761 1074197547 /nfs/dbraw/zinc/19/75/47/1074197547.db2.gz YAEDFJGRNUBQQS-RZZCCWGQSA-N 2 3 309.498 2.127 20 0 DEADHP CN(C)CC[NH2+][C@@]12CC[C@@](NCC(C)(C)C[NH+](C)C)(C1)CCC2 ZINC001276658674 1083536060 /nfs/dbraw/zinc/53/60/60/1083536060.db2.gz SVBSIPNSDGXHST-RBUKOAKNSA-N 2 3 324.557 2.160 20 0 DEADHP COc1ccccc1CN(C[C@@H]1CC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700039 1138397024 /nfs/dbraw/zinc/39/70/24/1138397024.db2.gz GQYXZPIQZMIVEN-KBAYOESNSA-N 2 3 317.477 2.377 20 0 DEADHP CC[C@@H]1CC(NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H](CC)[NH2+]1 ZINC001246249106 1140877601 /nfs/dbraw/zinc/87/76/01/1140877601.db2.gz QEBHBZHETNZPKQ-INMHGKMJSA-N 2 3 309.498 2.044 20 0 DEADHP CC[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CCN1 ZINC001246376256 1140890481 /nfs/dbraw/zinc/89/04/81/1140890481.db2.gz VMCBEOCMMHPANE-ROUUACIJSA-N 2 3 301.478 2.428 20 0 DEADHP C[C@@H]1C[C@@H](N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246446721 1140899989 /nfs/dbraw/zinc/89/99/89/1140899989.db2.gz MEVQMCQPCDEWSV-DDBAPUKQSA-N 2 3 302.466 2.294 20 0 DEADHP C[C@@H]1C[C@@H]([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246446721 1140899992 /nfs/dbraw/zinc/89/99/92/1140899992.db2.gz MEVQMCQPCDEWSV-DDBAPUKQSA-N 2 3 302.466 2.294 20 0 DEADHP C[C@@H]1C[C@@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246446721 1140899993 /nfs/dbraw/zinc/89/99/93/1140899993.db2.gz MEVQMCQPCDEWSV-DDBAPUKQSA-N 2 3 302.466 2.294 20 0 DEADHP CC(C)(C)N([C@@H]1COC2(C1)CC[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246708763 1141040921 /nfs/dbraw/zinc/04/09/21/1141040921.db2.gz KXEZTXWOLBNRTJ-WFVVYAPDSA-N 2 3 321.509 2.281 20 0 DEADHP c1ccc2c(c1)CN([C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC21CC[NH2+]CC1 ZINC001246861334 1141090975 /nfs/dbraw/zinc/09/09/75/1141090975.db2.gz OYYMZEVDFFROLK-PIIMJCKOSA-N 2 3 311.473 2.406 20 0 DEADHP CC(C)CN1CCC([N@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258008306 1143965049 /nfs/dbraw/zinc/96/50/49/1143965049.db2.gz LSKTZEUEJUWBOL-WKILWMFISA-N 2 3 309.498 2.078 20 0 DEADHP CC(C)CN1CCC([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001258008306 1143965050 /nfs/dbraw/zinc/96/50/50/1143965050.db2.gz LSKTZEUEJUWBOL-WKILWMFISA-N 2 3 309.498 2.078 20 0 DEADHP CN(C)CCOc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000093088686 539429849 /nfs/dbraw/zinc/42/98/49/539429849.db2.gz KKSFEFMFSSUSAN-UHFFFAOYSA-N 2 3 319.493 2.401 20 0 DEADHP CN(C)CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000093088686 539429852 /nfs/dbraw/zinc/42/98/52/539429852.db2.gz KKSFEFMFSSUSAN-UHFFFAOYSA-N 2 3 319.493 2.401 20 0 DEADHP [NH3+][C@@H]1CCC[C@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000519701205 406238109 /nfs/dbraw/zinc/23/81/09/406238109.db2.gz AKJQWKYWBMRSPC-QYZOEREBSA-N 2 3 317.477 2.003 20 0 DEADHP [NH3+][C@@H]1CCC[C@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000519701205 406238111 /nfs/dbraw/zinc/23/81/11/406238111.db2.gz AKJQWKYWBMRSPC-QYZOEREBSA-N 2 3 317.477 2.003 20 0 DEADHP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(OCCN(C)C)cc1 ZINC000643533676 407011441 /nfs/dbraw/zinc/01/14/41/407011441.db2.gz AZEMACAWASWBFO-YJBOKZPZSA-N 2 3 317.477 2.420 20 0 DEADHP C[C@H]1C[C@H](C[NH2+]Cc2ccccc2OCCN(C)C)CC[NH2+]1 ZINC000415087499 424949482 /nfs/dbraw/zinc/94/94/82/424949482.db2.gz UTNADXGMUUPWSN-JKSUJKDBSA-N 2 3 305.466 2.105 20 0 DEADHP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)C1 ZINC000652350429 425246071 /nfs/dbraw/zinc/24/60/71/425246071.db2.gz XVXYNPGUPPRHSY-RCCFBDPRSA-N 2 3 309.498 2.081 20 0 DEADHP C[C@@H]1CN(CC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000420322583 288153585 /nfs/dbraw/zinc/15/35/85/288153585.db2.gz SSAZHYNUHUFWCN-FGTMMUONSA-N 2 3 323.525 2.197 20 0 DEADHP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422811377 298981885 /nfs/dbraw/zinc/98/18/85/298981885.db2.gz UNUPLDGECOILTM-SNRMKQJTSA-N 2 3 317.477 2.124 20 0 DEADHP [NH3+]Cc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000580075756 332930084 /nfs/dbraw/zinc/93/00/84/332930084.db2.gz YPXJNVPRGCXLGC-ICSRJNTNSA-N 2 3 323.440 2.491 20 0 DEADHP CN1C[C@H]2C[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)C[C@@]2(C)C1 ZINC000897621779 640872299 /nfs/dbraw/zinc/87/22/99/640872299.db2.gz SLXSUQPNNQXMEM-PKOBYXMFSA-N 2 3 317.477 2.011 20 0 DEADHP CN1C[C@H]2C[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)C[C@@]2(C)C1 ZINC000897621779 640872303 /nfs/dbraw/zinc/87/23/03/640872303.db2.gz SLXSUQPNNQXMEM-PKOBYXMFSA-N 2 3 317.477 2.011 20 0 DEADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C[C@H](C)O1 ZINC000925569709 693299287 /nfs/dbraw/zinc/29/92/87/693299287.db2.gz SKEFTIKPIKJHBH-VVLHAWIVSA-N 2 3 311.514 2.371 20 0 DEADHP CC[NH+](CC)CCOCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925647252 693315751 /nfs/dbraw/zinc/31/57/51/693315751.db2.gz AZXPWTKKCYUAQU-ROUUACIJSA-N 2 3 311.514 2.103 20 0 DEADHP C[C@@H]1CC[C@H](C[NH3+])CN1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001206808015 800597729 /nfs/dbraw/zinc/59/77/29/800597729.db2.gz JMIWILYHEMSEMU-HUUCEWRRSA-N 2 3 312.461 2.304 20 0 DEADHP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CC[NH2+]CC2)CCN1 ZINC001246211182 1140873760 /nfs/dbraw/zinc/87/37/60/1140873760.db2.gz MKIQGLFVWAPUJK-PBHICJAKSA-N 2 3 305.441 2.177 20 0 DEADHP c1cncc([C@@H]2NCC[C@@H]2C[NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246341627 1140885766 /nfs/dbraw/zinc/88/57/66/1140885766.db2.gz PFVDZPORDZRDPG-AKHDSKFASA-N 2 3 314.477 2.244 20 0 DEADHP c1cncc(CN2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001246364565 1140888605 /nfs/dbraw/zinc/88/86/05/1140888605.db2.gz IGSYWNYYBSJREZ-DFNIBXOVSA-N 2 3 314.477 2.166 20 0 DEADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3F)CC[NH2+]CC2)CCN1 ZINC001246436411 1140898483 /nfs/dbraw/zinc/89/84/83/1140898483.db2.gz XTIYXOQJYXHCNA-WBVHZDCISA-N 2 3 319.468 2.468 20 0 DEADHP F[C@@H]1CCNC[C@]12CC[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246685775 1141035604 /nfs/dbraw/zinc/03/56/04/1141035604.db2.gz BXBMLMLSAVUHEW-FPQWYMTMSA-N 2 3 309.473 2.322 20 0 DEADHP F[C@@H]1CCNC[C@]12CC[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246685775 1141035613 /nfs/dbraw/zinc/03/56/13/1141035613.db2.gz BXBMLMLSAVUHEW-FPQWYMTMSA-N 2 3 309.473 2.322 20 0 DEADHP [NH3+][C@@H]1CCN([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1C(F)(F)F ZINC001246933833 1141140967 /nfs/dbraw/zinc/14/09/67/1141140967.db2.gz JIUVPWCUGXKFKS-SYQHCUMBSA-N 2 3 305.388 2.120 20 0 DEADHP [NH3+]C1CCC([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000666922898 540363124 /nfs/dbraw/zinc/36/31/24/540363124.db2.gz MKILYTURVBTFQA-IWCVFHTOSA-N 2 3 305.441 2.378 20 0 DEADHP Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000415010978 404788203 /nfs/dbraw/zinc/78/82/03/404788203.db2.gz VJHYAQMUWHTDJP-AEFFLSMTSA-N 2 3 305.441 2.108 20 0 DEADHP C[N@H+]1CC=C(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423010877 405695898 /nfs/dbraw/zinc/69/58/98/405695898.db2.gz AAYVHTFUVCXAIQ-MJGOQNOKSA-N 2 3 313.445 2.094 20 0 DEADHP C[N@@H+]1CC=C(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423010877 405695902 /nfs/dbraw/zinc/69/59/02/405695902.db2.gz AAYVHTFUVCXAIQ-MJGOQNOKSA-N 2 3 313.445 2.094 20 0 DEADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000519779416 406251780 /nfs/dbraw/zinc/25/17/80/406251780.db2.gz RPWSEKAELPVCOQ-QZTJIDSGSA-N 2 3 317.477 2.003 20 0 DEADHP NC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CC3CC(C2)CC1C3 ZINC000647800000 407052780 /nfs/dbraw/zinc/05/27/80/407052780.db2.gz WVWLUWGIQJCWCB-NTDILZJDSA-N 2 3 303.494 2.118 20 0 DEADHP C[NH+](C)CCCOc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422718193 230176181 /nfs/dbraw/zinc/17/61/81/230176181.db2.gz PHOQDNSOCJVSIC-WMZOPIPTSA-N 2 3 305.466 2.234 20 0 DEADHP C[C@@H](N)[C@@H]1COCC[C@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000333893024 269001057 /nfs/dbraw/zinc/00/10/57/269001057.db2.gz YMTDQGOKTDNACM-ARZKPCJCSA-N 2 3 323.525 2.371 20 0 DEADHP C(CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CC[NH+]1CCCCC1 ZINC000422722011 277713753 /nfs/dbraw/zinc/71/37/53/277713753.db2.gz WPFLBWXFRNWBJB-CEXWTWQISA-N 2 3 323.525 2.389 20 0 DEADHP CN1CCN(CC[NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1(C)C ZINC000925660981 693319781 /nfs/dbraw/zinc/31/97/81/693319781.db2.gz BEKKZXBPDYRGTQ-SFHVURJKSA-N 2 3 318.509 2.082 20 0 DEADHP CC1([NH+]2CCCC2)CCC(N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925824937 693347842 /nfs/dbraw/zinc/34/78/42/693347842.db2.gz XCCTWXNSMNOEGB-XQCYAOSWSA-N 2 3 303.494 2.370 20 0 DEADHP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001155034988 797665467 /nfs/dbraw/zinc/66/54/67/797665467.db2.gz ZSDQDWBHODKCQZ-LSDHHAIUSA-N 2 3 317.481 2.057 20 0 DEADHP C[C@@H]1CCN(Cc2cn3c4c2cccc4C[NH2+]CC3)C[C@H]1C[NH3+] ZINC001205314210 800342076 /nfs/dbraw/zinc/34/20/76/800342076.db2.gz ADHVWISSQXFPRV-GDBMZVCRSA-N 2 3 312.461 2.161 20 0 DEADHP Fc1cccc(C[N@H+](CC2CC[NH2+]CC2)C2CCNCC2)c1 ZINC001236400817 1138358897 /nfs/dbraw/zinc/35/88/97/1138358897.db2.gz GRNJZWFZGXHBCO-UHFFFAOYSA-N 2 3 305.441 2.379 20 0 DEADHP Fc1cccc(C[N@@H+](CC2CC[NH2+]CC2)C2CCNCC2)c1 ZINC001236400817 1138358901 /nfs/dbraw/zinc/35/89/01/1138358901.db2.gz GRNJZWFZGXHBCO-UHFFFAOYSA-N 2 3 305.441 2.379 20 0 DEADHP Fc1cccc(CN(CC2CC[NH2+]CC2)C2CC[NH2+]CC2)c1 ZINC001236400817 1138358906 /nfs/dbraw/zinc/35/89/06/1138358906.db2.gz GRNJZWFZGXHBCO-UHFFFAOYSA-N 2 3 305.441 2.379 20 0 DEADHP Cc1cc(F)ccc1CN(CCC1C[NH2+]C1)C1CC[NH2+]CC1 ZINC001236518336 1138370652 /nfs/dbraw/zinc/37/06/52/1138370652.db2.gz RJTLQGHEGBHEME-UHFFFAOYSA-N 2 3 305.441 2.298 20 0 DEADHP Cc1cc(F)ccc1C[N@H+](CCC1C[NH2+]C1)C1CCNCC1 ZINC001236518336 1138370655 /nfs/dbraw/zinc/37/06/55/1138370655.db2.gz RJTLQGHEGBHEME-UHFFFAOYSA-N 2 3 305.441 2.298 20 0 DEADHP Cc1cc(F)ccc1C[N@@H+](CCC1C[NH2+]C1)C1CCNCC1 ZINC001236518336 1138370659 /nfs/dbraw/zinc/37/06/59/1138370659.db2.gz RJTLQGHEGBHEME-UHFFFAOYSA-N 2 3 305.441 2.298 20 0 DEADHP FC(F)(F)[C@@]1(CNC2CCC3(CC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC001246109222 1140862270 /nfs/dbraw/zinc/86/22/70/1140862270.db2.gz GANBWMSEKLQNBL-HNNXBMFYSA-N 2 3 319.415 2.430 20 0 DEADHP CC(C)(C)[C@@H]1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001246130265 1140864313 /nfs/dbraw/zinc/86/43/13/1140864313.db2.gz GIGALUMRSLEDDI-PMPSAXMXSA-N 2 3 309.498 2.044 20 0 DEADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC23CC[NH2+]CC3)CCN1 ZINC001246143103 1140866154 /nfs/dbraw/zinc/86/61/54/1140866154.db2.gz SVJGBESBXCULKW-IKGGRYGDSA-N 2 3 323.525 2.292 20 0 DEADHP C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246246576 1140877306 /nfs/dbraw/zinc/87/73/06/1140877306.db2.gz IYJJPZPPCALSBT-IRXDYDNUSA-N 2 3 321.509 2.190 20 0 DEADHP COc1ccc(C2(N[C@@H]3CCC4(C[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246382160 1140891341 /nfs/dbraw/zinc/89/13/41/1140891341.db2.gz YKGZNVBVZXFGEV-MRXNPFEDSA-N 2 3 315.461 2.006 20 0 DEADHP C[C@H]1C[C@@H](N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246403471 1140895001 /nfs/dbraw/zinc/89/50/01/1140895001.db2.gz MPCSMVKIQKLALR-DKIMLUQUSA-N 2 3 302.466 2.294 20 0 DEADHP COc1ccccc1C1(C[NH2+][C@@H]2CCN[C@@H](C)C2)CC[NH2+]CC1 ZINC001246416581 1140895957 /nfs/dbraw/zinc/89/59/57/1140895957.db2.gz SCYXDCKMBGWWLI-JKSUJKDBSA-N 2 3 317.477 2.047 20 0 DEADHP [NH3+]CCCC[NH2+]CCCN[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001246457135 1140907582 /nfs/dbraw/zinc/90/75/82/1140907582.db2.gz NQAAJRGMWIEMIE-OAHLLOKOSA-N 2 3 311.420 2.130 20 0 DEADHP CC(C)(C)[C@H]1C[C@@H](N2CCC(OC3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246657922 1141027360 /nfs/dbraw/zinc/02/73/60/1141027360.db2.gz ANOZZZUHEPGQPB-MAUKXSAKSA-N 2 3 323.525 2.386 20 0 DEADHP C([C@@H]1CCCNC1)[N@H+](C1CCCC1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246933435 1141139989 /nfs/dbraw/zinc/13/99/89/1141139989.db2.gz IPMPPOUZZKYFDI-ZBFHGGJFSA-N 2 3 309.523 2.078 20 0 DEADHP C([C@@H]1CCCNC1)[N@@H+](C1CCCC1)[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246933435 1141140021 /nfs/dbraw/zinc/14/00/21/1141140021.db2.gz IPMPPOUZZKYFDI-ZBFHGGJFSA-N 2 3 309.523 2.078 20 0 DEADHP C[NH+](C)CCOc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000678139341 541684060 /nfs/dbraw/zinc/68/40/60/541684060.db2.gz STNYPCOLENWUHP-UHFFFAOYSA-N 2 3 319.493 2.401 20 0 DEADHP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000415026211 404790357 /nfs/dbraw/zinc/79/03/57/404790357.db2.gz SVYBUUCULAOYPV-MRXNPFEDSA-N 2 3 318.509 2.434 20 0 DEADHP C[C@H](NCC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCC[NH2+]1 ZINC000665240827 425527260 /nfs/dbraw/zinc/52/72/60/425527260.db2.gz TXNMNRGLSVOPNY-MAUKXSAKSA-N 2 3 302.466 2.024 20 0 DEADHP CCN1CCC[C@@H]1CNC(=[NH2+])NCC1([NH+](C)C)CCCCCC1 ZINC000849053591 651596321 /nfs/dbraw/zinc/59/63/21/651596321.db2.gz XTNMLCRMYZYSEQ-MRXNPFEDSA-N 2 3 323.529 2.239 20 0 DEADHP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206167297 793456973 /nfs/dbraw/zinc/45/69/73/793456973.db2.gz YELPOWCYKFWESI-MSOLQXFVSA-N 2 3 323.456 2.278 20 0 DEADHP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206167297 793456975 /nfs/dbraw/zinc/45/69/75/793456975.db2.gz YELPOWCYKFWESI-MSOLQXFVSA-N 2 3 323.456 2.278 20 0 DEADHP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc2c[nH]ccc-2n1 ZINC001232016363 801769478 /nfs/dbraw/zinc/76/94/78/801769478.db2.gz VXGHHCRKTMMXCG-UHFFFAOYSA-N 2 3 317.481 2.268 20 0 DEADHP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc2cnccc2[nH]1 ZINC001232016363 801769481 /nfs/dbraw/zinc/76/94/81/801769481.db2.gz VXGHHCRKTMMXCG-UHFFFAOYSA-N 2 3 317.481 2.268 20 0 DEADHP c1ccc([C@@]23CCNC[C@H]2C[N@H+](CC2CC[NH2+]CC2)CC3)cc1 ZINC001235362043 1084407297 /nfs/dbraw/zinc/40/72/97/1084407297.db2.gz KBQWZMYFUBWPOV-PMACEKPBSA-N 2 3 313.489 2.239 20 0 DEADHP c1ccc([C@@]23CCNC[C@H]2C[N@@H+](CC2CC[NH2+]CC2)CC3)cc1 ZINC001235362043 1084407303 /nfs/dbraw/zinc/40/73/03/1084407303.db2.gz KBQWZMYFUBWPOV-PMACEKPBSA-N 2 3 313.489 2.239 20 0 DEADHP CCCN(CCC[NH+](C)C)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236321915 1138352388 /nfs/dbraw/zinc/35/23/88/1138352388.db2.gz HPVHWKZHSQITJX-UHFFFAOYSA-N 2 3 318.509 2.260 20 0 DEADHP FC(F)(F)[C@]1(CNC2CCC3(CCC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001246112832 1140862726 /nfs/dbraw/zinc/86/27/26/1140862726.db2.gz OQYPEHWOGRBQSD-YMAMQOFZSA-N 2 3 319.415 2.430 20 0 DEADHP COCCC1(C[NH2+][C@@H]2CCN[C@@H](C(C)(C)C)C2)CC[NH2+]CC1 ZINC001246373438 1140889801 /nfs/dbraw/zinc/88/98/01/1140889801.db2.gz YGNWJULRSCKTCZ-HZPDHXFCSA-N 2 3 311.514 2.149 20 0 DEADHP C[C@H]1C[C@@H](N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246446724 1140901138 /nfs/dbraw/zinc/90/11/38/1140901138.db2.gz MEVQMCQPCDEWSV-DKIMLUQUSA-N 2 3 302.466 2.294 20 0 DEADHP C[C@H]1C[C@@H]([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246446724 1140901162 /nfs/dbraw/zinc/90/11/62/1140901162.db2.gz MEVQMCQPCDEWSV-DKIMLUQUSA-N 2 3 302.466 2.294 20 0 DEADHP C[C@H]1C[C@@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246446724 1140901186 /nfs/dbraw/zinc/90/11/86/1140901186.db2.gz MEVQMCQPCDEWSV-DKIMLUQUSA-N 2 3 302.466 2.294 20 0 DEADHP [NH3+]CCC1CCN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246578168 1140978687 /nfs/dbraw/zinc/97/86/87/1140978687.db2.gz GNWLAJQFJBDGOV-RBUKOAKNSA-N 2 3 301.478 2.411 20 0 DEADHP c1ccc(C[C@H]2C[C@H]([NH+]3CC4(C3)CCC[NH2+]CC4)CCN2)cc1 ZINC001246852435 1141088073 /nfs/dbraw/zinc/08/80/73/1141088073.db2.gz DQGMMIHVKWBDQP-RBUKOAKNSA-N 2 3 313.489 2.425 20 0 DEADHP c1cc(N2CCC(N3CC[C@@H]4[NH2+]CCC[C@@H]4C3)CC2)cc[nH+]1 ZINC001247016466 1141250750 /nfs/dbraw/zinc/25/07/50/1141250750.db2.gz VRMLTKYJTYOBSZ-QAPCUYQASA-N 2 3 300.450 2.124 20 0 DEADHP CCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415037313 404793051 /nfs/dbraw/zinc/79/30/51/404793051.db2.gz MBMHVHHJXSQNJR-SJLPKXTDSA-N 2 3 316.493 2.046 20 0 DEADHP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(OCCN(C)C)cc1 ZINC000643533675 407011779 /nfs/dbraw/zinc/01/17/79/407011779.db2.gz AZEMACAWASWBFO-QAPCUYQASA-N 2 3 317.477 2.420 20 0 DEADHP CN(C)CCOc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647789512 407051367 /nfs/dbraw/zinc/05/13/67/407051367.db2.gz GTSIJODFGMXJJH-OKZBNKHCSA-N 2 3 317.477 2.105 20 0 DEADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000422978948 230302762 /nfs/dbraw/zinc/30/27/62/230302762.db2.gz LCQVAPWIBJKBLN-ZSYWTGECSA-N 2 3 323.525 2.124 20 0 DEADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000422978948 230302767 /nfs/dbraw/zinc/30/27/67/230302767.db2.gz LCQVAPWIBJKBLN-ZSYWTGECSA-N 2 3 323.525 2.124 20 0 DEADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423100006 230350346 /nfs/dbraw/zinc/35/03/46/230350346.db2.gz GCWCDDQHRHOMBJ-GJZGRUSLSA-N 2 3 305.466 2.375 20 0 DEADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCC[NH+]2CCCCC2)C1 ZINC000652363800 425249390 /nfs/dbraw/zinc/24/93/90/425249390.db2.gz NVFSXLHDNIRRRA-KURKYZTESA-N 2 3 309.498 2.223 20 0 DEADHP [NH3+][C@H]1CCC[C@@H](NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000519779441 269427944 /nfs/dbraw/zinc/42/79/44/269427944.db2.gz RPWSEKAELPVCOQ-ZWKOTPCHSA-N 2 3 317.477 2.003 20 0 DEADHP CC[N@H+](CCCNC1CCN(CC[NH3+])CC1)C1CCCCC1 ZINC000904375906 643654074 /nfs/dbraw/zinc/65/40/74/643654074.db2.gz KHTKYSFORFBXGH-UHFFFAOYSA-N 2 3 310.530 2.044 20 0 DEADHP CC[N@@H+](CCCNC1CCN(CC[NH3+])CC1)C1CCCCC1 ZINC000904375906 643654077 /nfs/dbraw/zinc/65/40/77/643654077.db2.gz KHTKYSFORFBXGH-UHFFFAOYSA-N 2 3 310.530 2.044 20 0 DEADHP C[C@H](NCCC[NH+]1CCC(O)CC1)c1cccc(C[NH+](C)C)c1 ZINC000820808127 647922140 /nfs/dbraw/zinc/92/21/40/647922140.db2.gz YYEMOTLWPXYYPN-INIZCTEOSA-N 2 3 319.493 2.246 20 0 DEADHP C[C@H]1CCN(Cc2cn3c4c2cccc4C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC001205314215 800341739 /nfs/dbraw/zinc/34/17/39/800341739.db2.gz ADHVWISSQXFPRV-HOCLYGCPSA-N 2 3 312.461 2.161 20 0 DEADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCP(C(C)C)C(C)C ZINC001221254153 802544482 /nfs/dbraw/zinc/54/44/82/802544482.db2.gz GYKQXWNUYOFYJU-AWEZNQCLSA-N 2 3 303.431 2.118 20 0 DEADHP c1ccc([C@]23CCNC[C@@H]2C[N@H+](CC2CC[NH2+]CC2)CC3)cc1 ZINC001235362053 1084406448 /nfs/dbraw/zinc/40/64/48/1084406448.db2.gz KBQWZMYFUBWPOV-WOJBJXKFSA-N 2 3 313.489 2.239 20 0 DEADHP c1ccc([C@]23CCNC[C@@H]2C[N@@H+](CC2CC[NH2+]CC2)CC3)cc1 ZINC001235362053 1084406455 /nfs/dbraw/zinc/40/64/55/1084406455.db2.gz KBQWZMYFUBWPOV-WOJBJXKFSA-N 2 3 313.489 2.239 20 0 DEADHP CCCC[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CCN1 ZINC001246155276 1140867553 /nfs/dbraw/zinc/86/75/53/1140867553.db2.gz FMLZEMZQDKGLNL-BSDSXHPESA-N 2 3 309.498 2.046 20 0 DEADHP CCCC[C@@H]1C[C@H]([NH2+][C@H]2CCOC3(CC[NH2+]CC3)C2)CCN1 ZINC001246252401 1140878098 /nfs/dbraw/zinc/87/80/98/1140878098.db2.gz ANJCJIRDMBYMPM-ZACQAIPSSA-N 2 3 309.498 2.188 20 0 DEADHP Fc1cccc(C2(C[NH2+][C@@H]3CCCCNC3)CC[NH2+]CC2)c1 ZINC001246388170 1140892161 /nfs/dbraw/zinc/89/21/61/1140892161.db2.gz LWCVLPREZZXLFP-QGZVFWFLSA-N 2 3 305.441 2.179 20 0 DEADHP C[NH2+]C1CCC([NH2+]C2(Cc3ccccc3)CCNCC2)CC1 ZINC001246455215 1140903866 /nfs/dbraw/zinc/90/38/66/1140903866.db2.gz HPPGWNGHHKYJMT-UHFFFAOYSA-N 2 3 301.478 2.472 20 0 DEADHP [NH3+]C[C@@H]1CN(C2CCC3(CCC[NH2+]C3)CC2)CCC1(F)F ZINC001246561171 1140967687 /nfs/dbraw/zinc/96/76/87/1140967687.db2.gz VWHDYWWRGWNLDU-WLYUNCDWSA-N 2 3 301.425 2.215 20 0 DEADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000519701202 406237581 /nfs/dbraw/zinc/23/75/81/406237581.db2.gz AKJQWKYWBMRSPC-GUDVDZBRSA-N 2 3 317.477 2.003 20 0 DEADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000519701202 406237583 /nfs/dbraw/zinc/23/75/83/406237583.db2.gz AKJQWKYWBMRSPC-GUDVDZBRSA-N 2 3 317.477 2.003 20 0 DEADHP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(OCCN(C)C)cc1 ZINC000643533673 407011625 /nfs/dbraw/zinc/01/16/25/407011625.db2.gz AZEMACAWASWBFO-CRAIPNDOSA-N 2 3 317.477 2.420 20 0 DEADHP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(OCCN(C)C)c1 ZINC000643537110 407012651 /nfs/dbraw/zinc/01/26/51/407012651.db2.gz ZKHOWZCYMWIOKW-YJBOKZPZSA-N 2 3 317.477 2.420 20 0 DEADHP C[NH+](C)CCOc1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000647541416 407017224 /nfs/dbraw/zinc/01/72/24/407017224.db2.gz ZGWYCTBMAPRVIV-QGZVFWFLSA-N 2 3 305.466 2.330 20 0 DEADHP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000422734368 230183928 /nfs/dbraw/zinc/18/39/28/230183928.db2.gz CPWJBXQPCCROKB-INIZCTEOSA-N 2 3 319.493 2.250 20 0 DEADHP CCN1CC[C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422697469 276222204 /nfs/dbraw/zinc/22/22/04/276222204.db2.gz URIGCHFGVLQZKA-AYBZRNKSSA-N 2 3 315.461 2.174 20 0 DEADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000577373035 326361499 /nfs/dbraw/zinc/36/14/99/326361499.db2.gz FVTJZQZLRJTNPY-HOTGVXAUSA-N 2 3 318.509 2.432 20 0 DEADHP CN(C)C1(CNc2ccccc2C(C)(C)[NH3+])CC[NH+](C)CC1 ZINC001164217298 799542748 /nfs/dbraw/zinc/54/27/48/799542748.db2.gz UMAVTVUGXIJNTE-UHFFFAOYSA-N 2 3 304.482 2.318 20 0 DEADHP CN(C)CCC[N@H+](C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204267982 800197323 /nfs/dbraw/zinc/19/73/23/800197323.db2.gz XTGBUXLPDSRHIK-UHFFFAOYSA-N 2 3 307.482 2.401 20 0 DEADHP CN(C)CCC[N@@H+](C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204267982 800197324 /nfs/dbraw/zinc/19/73/24/800197324.db2.gz XTGBUXLPDSRHIK-UHFFFAOYSA-N 2 3 307.482 2.401 20 0 DEADHP C[C@@H]1CC[C@@H](C[NH3+])CN1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001206808013 800597221 /nfs/dbraw/zinc/59/72/21/800597221.db2.gz JMIWILYHEMSEMU-CABCVRRESA-N 2 3 312.461 2.304 20 0 DEADHP C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246137428 1140865409 /nfs/dbraw/zinc/86/54/09/1140865409.db2.gz WCVLYBWSRRIISV-IAGOWNOFSA-N 2 3 321.509 2.332 20 0 DEADHP C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246137429 1140865541 /nfs/dbraw/zinc/86/55/41/1140865541.db2.gz WCVLYBWSRRIISV-IRXDYDNUSA-N 2 3 321.509 2.332 20 0 DEADHP Fc1cccc(C2(C[NH2+][C@H]3CCCCNC3)CC[NH2+]CC2)c1 ZINC001246387413 1140892317 /nfs/dbraw/zinc/89/23/17/1140892317.db2.gz LWCVLPREZZXLFP-KRWDZBQOSA-N 2 3 305.441 2.179 20 0 DEADHP CCCC[C@@H]1C[C@@H](N2CCC(C3=CC=C(N)C[NH2+]3)CC2)CC[NH2+]1 ZINC001246492204 1140921493 /nfs/dbraw/zinc/92/14/93/1140921493.db2.gz BWZSZDRJSSSGNL-MSOLQXFVSA-N 2 3 318.509 2.339 20 0 DEADHP NC1([C@@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]2CF)CC1 ZINC001246687758 1141034953 /nfs/dbraw/zinc/03/49/53/1141034953.db2.gz FRAXPXJTISEVTC-KZYLPZIUSA-N 2 3 309.473 2.308 20 0 DEADHP NC1([C@@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]2CF)CC1 ZINC001246687758 1141034966 /nfs/dbraw/zinc/03/49/66/1141034966.db2.gz FRAXPXJTISEVTC-KZYLPZIUSA-N 2 3 309.473 2.308 20 0 DEADHP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001258899557 1144052451 /nfs/dbraw/zinc/05/24/51/1144052451.db2.gz BSOQDUDMEVKTOP-GOSISDBHSA-N 2 3 312.546 2.113 20 0 DEADHP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OCCN(C)C)cc1 ZINC000423240708 405734207 /nfs/dbraw/zinc/73/42/07/405734207.db2.gz CQTRSMGLXWRKKS-HZPDHXFCSA-N 2 3 305.466 2.277 20 0 DEADHP C[C@@H]1C[C@H](C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000414692143 288690510 /nfs/dbraw/zinc/69/05/10/288690510.db2.gz PVQCPZCQVISACR-VUHPKUFZSA-N 2 3 323.525 2.196 20 0 DEADHP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000415005096 297404356 /nfs/dbraw/zinc/40/43/56/297404356.db2.gz OVRGHYHGAKDRJJ-IIHSZXCVSA-N 2 3 319.468 2.497 20 0 DEADHP c1cc(N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc[nH+]1 ZINC000923326429 637118092 /nfs/dbraw/zinc/11/80/92/637118092.db2.gz HQUWKGATZSDBHI-ALOPSCKCSA-N 2 3 300.450 2.124 20 0 DEADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CNC1 ZINC000902518398 643062507 /nfs/dbraw/zinc/06/25/07/643062507.db2.gz QGUOZLJINPZMMG-ZNWBIBPKSA-N 2 3 313.489 2.485 20 0 DEADHP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CNC1 ZINC000902518398 643062510 /nfs/dbraw/zinc/06/25/10/643062510.db2.gz QGUOZLJINPZMMG-ZNWBIBPKSA-N 2 3 313.489 2.485 20 0 DEADHP [NH3+][C@H](C[C@@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC000903782707 643461385 /nfs/dbraw/zinc/46/13/85/643461385.db2.gz REMMYQKFHRAEHU-YTQUADARSA-N 2 3 323.525 2.063 20 0 DEADHP C[C@H]1CC2(C[N@@H+]1Cc1cc3c(s1)CCNC3)CC[NH2+]CC2 ZINC000873213515 689185593 /nfs/dbraw/zinc/18/55/93/689185593.db2.gz GAGMVJOYUPPVCZ-ZDUSSCGKSA-N 2 3 305.491 2.358 20 0 DEADHP C[C@H]1CC2(C[N@H+]1Cc1cc3c(s1)CCNC3)CC[NH2+]CC2 ZINC000873213515 689185597 /nfs/dbraw/zinc/18/55/97/689185597.db2.gz GAGMVJOYUPPVCZ-ZDUSSCGKSA-N 2 3 305.491 2.358 20 0 DEADHP CN1C[C@@H]2C[N@@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C[C@@H]2C1 ZINC001204269884 800196761 /nfs/dbraw/zinc/19/67/61/800196761.db2.gz LPLYNQVTNHEVNW-HDICACEKSA-N 2 3 317.477 2.011 20 0 DEADHP CN1C[C@@H]2C[N@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C[C@@H]2C1 ZINC001204269884 800196767 /nfs/dbraw/zinc/19/67/67/800196767.db2.gz LPLYNQVTNHEVNW-HDICACEKSA-N 2 3 317.477 2.011 20 0 DEADHP C[C@@H]1C[C@H](C[NH2+]CC2CCN(Cc3ccncc3)CC2)CC[NH2+]1 ZINC001576598816 1066642171 /nfs/dbraw/zinc/64/21/71/1066642171.db2.gz PHZZOIUEOOKHMD-VQIMIIECSA-N 2 3 316.493 2.271 20 0 DEADHP Clc1ccc(C[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C2CCNCC2)cc1 ZINC001236454596 1138364927 /nfs/dbraw/zinc/36/49/27/1138364927.db2.gz ZYGIRPBCMGGXJQ-PIIMJCKOSA-N 2 3 319.880 2.359 20 0 DEADHP Clc1ccc(C[N@@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C2CCNCC2)cc1 ZINC001236454596 1138364932 /nfs/dbraw/zinc/36/49/32/1138364932.db2.gz ZYGIRPBCMGGXJQ-PIIMJCKOSA-N 2 3 319.880 2.359 20 0 DEADHP Clc1ccc(CN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C2CC[NH2+]CC2)cc1 ZINC001236454596 1138364936 /nfs/dbraw/zinc/36/49/36/1138364936.db2.gz ZYGIRPBCMGGXJQ-PIIMJCKOSA-N 2 3 319.880 2.359 20 0 DEADHP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)CCN1 ZINC001246363662 1140888538 /nfs/dbraw/zinc/88/85/38/1140888538.db2.gz FRWRHBGXPSLFIF-CRAIPNDOSA-N 2 3 302.466 2.024 20 0 DEADHP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)CCN1 ZINC001246363663 1140888836 /nfs/dbraw/zinc/88/88/36/1140888836.db2.gz FRWRHBGXPSLFIF-MAUKXSAKSA-N 2 3 302.466 2.024 20 0 DEADHP COCCC1([NH2+]C2CCC3(CCC[NH2+]C3)CC2)CCNCC1 ZINC001246394313 1140893587 /nfs/dbraw/zinc/89/35/87/1140893587.db2.gz ROHRGWPHGMOSDY-UHFFFAOYSA-N 2 3 309.498 2.047 20 0 DEADHP CCC(CC)[NH+]1CCC(CNC[C@@H](O)C[NH+](CC)CC)CC1 ZINC001253211141 1142854642 /nfs/dbraw/zinc/85/46/42/1142854642.db2.gz BPIHNMPWQHCEMV-GOSISDBHSA-N 2 3 313.530 2.179 20 0 DEADHP C[C@@H]1C[C@@H](CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000414711942 404714487 /nfs/dbraw/zinc/71/44/87/404714487.db2.gz IHTGLKRZUVSXOG-ZIFCJYIRSA-N 2 3 316.493 2.414 20 0 DEADHP [NH3+][C@H]1CCC[C@@H]1NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000423020106 230319811 /nfs/dbraw/zinc/31/98/11/230319811.db2.gz YTOCPUXDKCTWJN-OALUTQOASA-N 2 3 317.477 2.173 20 0 DEADHP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000422892120 528152244 /nfs/dbraw/zinc/15/22/44/528152244.db2.gz MHIYEKGCZJTGNV-ZWKOTPCHSA-N 2 3 305.466 2.377 20 0 DEADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422860217 528836864 /nfs/dbraw/zinc/83/68/64/528836864.db2.gz LANFEKULNWITIA-KFKAGJAMSA-N 2 3 319.493 2.369 20 0 DEADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422860217 528836867 /nfs/dbraw/zinc/83/68/67/528836867.db2.gz LANFEKULNWITIA-KFKAGJAMSA-N 2 3 319.493 2.369 20 0 DEADHP [NH3+]C[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1C(F)(F)F ZINC000923400376 637159749 /nfs/dbraw/zinc/15/97/49/637159749.db2.gz AIFYLMSRYGWPEY-IWNKAIHXSA-N 2 3 319.415 2.366 20 0 DEADHP C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)C1CC[NH+](C)CC1 ZINC000903381851 643335582 /nfs/dbraw/zinc/33/55/82/643335582.db2.gz AEYOSFNGGRMDJU-YJBOKZPZSA-N 2 3 304.482 2.394 20 0 DEADHP [NH3+]CCCN(Cc1ccc(N2CC[NH2+]CC2)o1)CC1CCCC1 ZINC000904350679 643642994 /nfs/dbraw/zinc/64/29/94/643642994.db2.gz OXMJJRJXNRINKO-UHFFFAOYSA-N 2 3 320.481 2.030 20 0 DEADHP CSC1(C[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC[NH+](C)CC1 ZINC000925668628 693321756 /nfs/dbraw/zinc/32/17/56/693321756.db2.gz IWVCSGYLELEIKT-QLFBSQMISA-N 2 3 311.539 2.180 20 0 DEADHP C[C@@H]1[C@@H](C[NH3+])CCCN1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001205914815 800443146 /nfs/dbraw/zinc/44/31/46/800443146.db2.gz OADRMWWTPMSLFD-HUUCEWRRSA-N 2 3 312.461 2.304 20 0 DEADHP CCN([C@H]1CCOC1)C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207487227 800764609 /nfs/dbraw/zinc/76/46/09/800764609.db2.gz UMIKYBUTBMCZSQ-IBGZPJMESA-N 2 3 323.525 2.294 20 0 DEADHP C[NH+]1C(C)(C)CC(NC[C@H]2CCC3(CCNCC3)[NH2+]2)CC1(C)C ZINC001246152471 1140867376 /nfs/dbraw/zinc/86/73/76/1140867376.db2.gz YZWWDIXUJXCIBG-OAHLLOKOSA-N 2 3 322.541 2.102 20 0 DEADHP CC[C@@H]1CC(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)C[C@@H](CC)[NH2+]1 ZINC001246171360 1140869996 /nfs/dbraw/zinc/86/99/96/1140869996.db2.gz JMDSAHZSODIHHK-NUJGCVRESA-N 2 3 323.525 2.434 20 0 DEADHP COCCC1([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCNCC1 ZINC001246388955 1140892745 /nfs/dbraw/zinc/89/27/45/1140892745.db2.gz HUNLXMIWACDHIQ-UHFFFAOYSA-N 2 3 309.498 2.047 20 0 DEADHP COc1cccc(C2(C[NH2+][C@H]3CCN[C@H](C)C3)CC[NH2+]CC2)c1 ZINC001246392683 1140892927 /nfs/dbraw/zinc/89/29/27/1140892927.db2.gz QYVOXEKNCHWYJZ-WBVHZDCISA-N 2 3 317.477 2.047 20 0 DEADHP CC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246423360 1140897046 /nfs/dbraw/zinc/89/70/46/1140897046.db2.gz ZNLJKPFWHQCGDJ-IRXDYDNUSA-N 2 3 316.493 2.114 20 0 DEADHP CC(C)[C@H]1C[C@@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246423925 1140897086 /nfs/dbraw/zinc/89/70/86/1140897086.db2.gz RWCCJDGURNKRIR-ZWKOTPCHSA-N 2 3 316.493 2.069 20 0 DEADHP CC[C@H]1C[C@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246423130 1140897113 /nfs/dbraw/zinc/89/71/13/1140897113.db2.gz XYGBWURMXDSHEB-ZWKOTPCHSA-N 2 3 316.493 2.114 20 0 DEADHP Fc1ccccc1C1(C[NH2+][C@@H]2CCCCNC2)CC[NH2+]CC1 ZINC001246438819 1140898884 /nfs/dbraw/zinc/89/88/84/1140898884.db2.gz UAQAXQVIXKYHSJ-OAHLLOKOSA-N 2 3 305.441 2.179 20 0 DEADHP [NH3+]C[C@H]1CN(C2CCC3(CCC[NH2+]C3)CC2)CCC1(F)F ZINC001246561168 1140967925 /nfs/dbraw/zinc/96/79/25/1140967925.db2.gz VWHDYWWRGWNLDU-NFOMZHRRSA-N 2 3 301.425 2.215 20 0 DEADHP C[NH+](C)[C@H]1CC[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256681235 1143861672 /nfs/dbraw/zinc/86/16/72/1143861672.db2.gz OXRDRRVXHHRCSL-HFFNAHSWSA-N 2 3 309.498 2.092 20 0 DEADHP CCCN1CCC([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000128010387 539484318 /nfs/dbraw/zinc/48/43/18/539484318.db2.gz ZTSDLYZBNFUYFT-UHFFFAOYSA-N 2 3 322.541 2.009 20 0 DEADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000422716176 230173768 /nfs/dbraw/zinc/17/37/68/230173768.db2.gz MZZBMBJWJSJDRR-QFBILLFUSA-N 2 3 319.493 2.495 20 0 DEADHP CC[N@@H+]1CC[C@H](N(C)Cc2cccc3c2CC[NH2+]C3)[C@@H](C)C1 ZINC000662262366 425607081 /nfs/dbraw/zinc/60/70/81/425607081.db2.gz GNGVUKCULQXTHL-KXBFYZLASA-N 2 3 301.478 2.494 20 0 DEADHP CC[N@H+]1CC[C@H](N(C)Cc2cccc3c2CC[NH2+]C3)[C@@H](C)C1 ZINC000662262366 425607082 /nfs/dbraw/zinc/60/70/82/425607082.db2.gz GNGVUKCULQXTHL-KXBFYZLASA-N 2 3 301.478 2.494 20 0 DEADHP CC[NH+](CC)Cc1cccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000422695296 528194841 /nfs/dbraw/zinc/19/48/41/528194841.db2.gz PGMBLQAPXUJKNK-AYOQOUSVSA-N 2 3 319.493 2.370 20 0 DEADHP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000422906697 528834851 /nfs/dbraw/zinc/83/48/51/528834851.db2.gz AFQZSKPHZSNDDP-SNRMKQJTSA-N 2 3 319.493 2.369 20 0 DEADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000422906697 528834858 /nfs/dbraw/zinc/83/48/58/528834858.db2.gz AFQZSKPHZSNDDP-SNRMKQJTSA-N 2 3 319.493 2.369 20 0 DEADHP [NH3+]C[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1C(F)(F)F ZINC000923400371 637159441 /nfs/dbraw/zinc/15/94/41/637159441.db2.gz AIFYLMSRYGWPEY-HKJOBYGYSA-N 2 3 319.415 2.366 20 0 DEADHP CCN1CCC[C@H]1CNC(=[NH2+])NCC1([NH+](C)C)CCCCCC1 ZINC000849053587 651596513 /nfs/dbraw/zinc/59/65/13/651596513.db2.gz XTNMLCRMYZYSEQ-INIZCTEOSA-N 2 3 323.529 2.239 20 0 DEADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2nc3c(s2)CNCC3)C2CCC2)CC1 ZINC001236573060 1138377218 /nfs/dbraw/zinc/37/72/18/1138377218.db2.gz UPQFRCAXSDEBAH-MQMHXKEQSA-N 2 3 320.506 2.413 20 0 DEADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2nc3c(s2)CNCC3)C2CCC2)CC1 ZINC001236573060 1138377222 /nfs/dbraw/zinc/37/72/22/1138377222.db2.gz UPQFRCAXSDEBAH-MQMHXKEQSA-N 2 3 320.506 2.413 20 0 DEADHP CN(C)CCC[NH+]1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278049443 1138497658 /nfs/dbraw/zinc/49/76/58/1138497658.db2.gz JNYPSWJPHGENSO-UHFFFAOYSA-N 2 3 319.497 2.039 20 0 DEADHP CN(C)CCC[NH+]1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001278049443 1138497666 /nfs/dbraw/zinc/49/76/66/1138497666.db2.gz JNYPSWJPHGENSO-UHFFFAOYSA-N 2 3 319.497 2.039 20 0 DEADHP Fc1cccc(CC2([NH2+][C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CCNCC2)c1 ZINC001246455233 1140903342 /nfs/dbraw/zinc/90/33/42/1140903342.db2.gz HUZQYIXEGWATDX-ALXJQNPVSA-N 2 3 317.452 2.078 20 0 DEADHP [NH3+]CCC1CCN([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246578164 1140979803 /nfs/dbraw/zinc/97/98/03/1140979803.db2.gz GNWLAJQFJBDGOV-MOPGFXCFSA-N 2 3 301.478 2.411 20 0 DEADHP Fc1cccc(C[N@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)c1 ZINC001246941542 1141149778 /nfs/dbraw/zinc/14/97/78/1141149778.db2.gz KPQWMRQSKBPCDZ-HGKCTWBKSA-N 2 3 317.452 2.378 20 0 DEADHP Fc1cccc(C[N@@H+]([C@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)c1 ZINC001246941542 1141149796 /nfs/dbraw/zinc/14/97/96/1141149796.db2.gz KPQWMRQSKBPCDZ-HGKCTWBKSA-N 2 3 317.452 2.378 20 0 DEADHP CCC(CC)[NH+]1CCC(CNC[C@H](O)C[NH+](CC)CC)CC1 ZINC001253211142 1142854520 /nfs/dbraw/zinc/85/45/20/1142854520.db2.gz BPIHNMPWQHCEMV-SFHVURJKSA-N 2 3 313.530 2.179 20 0 DEADHP CCC(CC)[NH+]1CCC(CNC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253410890 1142870532 /nfs/dbraw/zinc/87/05/32/1142870532.db2.gz VYQJXMCKVVFFJS-KRWDZBQOSA-N 2 3 313.530 2.226 20 0 DEADHP C[NH+](C)[C@H]1CC[C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256688077 1143862301 /nfs/dbraw/zinc/86/23/01/1143862301.db2.gz OXRDRRVXHHRCSL-OBMPSLJJSA-N 2 3 309.498 2.092 20 0 DEADHP CN(C)CCOc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000679484498 541861459 /nfs/dbraw/zinc/86/14/59/541861459.db2.gz RKDBKJKYMQVROC-UHFFFAOYSA-N 2 3 319.493 2.449 20 0 DEADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422915256 532963513 /nfs/dbraw/zinc/96/35/13/532963513.db2.gz XUQDDSZQWGVKFU-CVEARBPZSA-N 2 3 305.466 2.377 20 0 DEADHP CN1CCC[C@H]1CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000162123158 402410394 /nfs/dbraw/zinc/41/03/94/402410394.db2.gz XBYGRKZOKYMHQK-KRWDZBQOSA-N 2 3 309.498 2.048 20 0 DEADHP C[C@@H]1C[C@@H](CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000414711934 404714014 /nfs/dbraw/zinc/71/40/14/404714014.db2.gz IHTGLKRZUVSXOG-AOIWGVFYSA-N 2 3 316.493 2.414 20 0 DEADHP C[C@@H]1CCC[N@H+](CCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422873816 405688626 /nfs/dbraw/zinc/68/86/26/405688626.db2.gz BEHPFBXPKTXIET-YDZRNGNQSA-N 2 3 323.525 2.245 20 0 DEADHP C[C@@H]1CCC[N@@H+](CCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422873816 405688633 /nfs/dbraw/zinc/68/86/33/405688633.db2.gz BEHPFBXPKTXIET-YDZRNGNQSA-N 2 3 323.525 2.245 20 0 DEADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000422978947 405693707 /nfs/dbraw/zinc/69/37/07/405693707.db2.gz LCQVAPWIBJKBLN-WJFTUGDTSA-N 2 3 323.525 2.124 20 0 DEADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000422978947 405693710 /nfs/dbraw/zinc/69/37/10/405693710.db2.gz LCQVAPWIBJKBLN-WJFTUGDTSA-N 2 3 323.525 2.124 20 0 DEADHP C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000647509884 407009746 /nfs/dbraw/zinc/00/97/46/407009746.db2.gz NXMWZKQZIDTZGJ-WMZOPIPTSA-N 2 3 317.477 2.330 20 0 DEADHP C[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)CN(C)C ZINC000644414857 407124652 /nfs/dbraw/zinc/12/46/52/407124652.db2.gz IDSQQZBGMIIBNC-KRWDZBQOSA-N 2 3 319.493 2.449 20 0 DEADHP [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000414794350 228560805 /nfs/dbraw/zinc/56/08/05/228560805.db2.gz LYCJTYSPCHXIKX-HKUYNNGSSA-N 2 3 317.477 2.378 20 0 DEADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000333893026 269001261 /nfs/dbraw/zinc/00/12/61/269001261.db2.gz YMTDQGOKTDNACM-TXQZXFLYSA-N 2 3 323.525 2.371 20 0 DEADHP C[C@@H]1CN(CCC2CC[NH+](CC3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000178982413 288156673 /nfs/dbraw/zinc/15/66/73/288156673.db2.gz AHHMEUJMVJZUGY-IAGOWNOFSA-N 2 3 323.525 2.197 20 0 DEADHP [NH3+]CC1CCC([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000422989758 534594139 /nfs/dbraw/zinc/59/41/39/534594139.db2.gz MKFHEOJBPWIWDF-UHFFFAOYSA-N 2 3 302.466 2.405 20 0 DEADHP C(CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CC[NH+]1CCCCC1 ZINC000422722014 527478779 /nfs/dbraw/zinc/47/87/79/527478779.db2.gz WPFLBWXFRNWBJB-IPMKNSEASA-N 2 3 323.525 2.389 20 0 DEADHP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccccc2)[C@@H](C)N)CC1 ZINC000925547862 625313519 /nfs/dbraw/zinc/31/35/19/625313519.db2.gz YFJNNEZFMDLJFY-IEBWSBKVSA-N 2 3 318.509 2.082 20 0 DEADHP CCN1CCN(CCC[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925547173 693294336 /nfs/dbraw/zinc/29/43/36/693294336.db2.gz TZWLMNXPTMYISO-LJQANCHMSA-N 2 3 318.509 2.084 20 0 DEADHP CN1CC2(C1)CC[NH+](Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC001138771861 796272010 /nfs/dbraw/zinc/27/20/10/796272010.db2.gz HVJRZXQEUVFQLW-UHFFFAOYSA-N 2 3 317.477 2.155 20 0 DEADHP [NH3+]Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)cc1 ZINC001222601829 802715473 /nfs/dbraw/zinc/71/54/73/802715473.db2.gz AQZPYKUTDJHHJZ-IBGZPJMESA-N 2 3 307.441 2.334 20 0 DEADHP [NH3+]Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)cc1 ZINC001222601829 802715477 /nfs/dbraw/zinc/71/54/77/802715477.db2.gz AQZPYKUTDJHHJZ-IBGZPJMESA-N 2 3 307.441 2.334 20 0 DEADHP CCCC[C@@H]1C[C@H]([NH2+]CC[C@H]2CCOC23CC[NH2+]CC3)CCN1 ZINC001246143178 1140865909 /nfs/dbraw/zinc/86/59/09/1140865909.db2.gz UJOAUCOAOVGJLM-RCCFBDPRSA-N 2 3 323.525 2.436 20 0 DEADHP COc1ccccc1C1([NH2+][C@@H]2CCC3(C[NH2+]C3)C2)CCNCC1 ZINC001246375082 1140890268 /nfs/dbraw/zinc/89/02/68/1140890268.db2.gz HERSCAOJMCXFHR-OAHLLOKOSA-N 2 3 315.461 2.006 20 0 DEADHP Fc1ccccc1CC1([NH2+][C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCNCC1 ZINC001246379738 1140891208 /nfs/dbraw/zinc/89/12/08/1140891208.db2.gz BSSDMMACXLLEAE-FVQHAEBGSA-N 2 3 317.452 2.078 20 0 DEADHP CC(C)[C@@H]1C[C@@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246423923 1140897312 /nfs/dbraw/zinc/89/73/12/1140897312.db2.gz RWCCJDGURNKRIR-ROUUACIJSA-N 2 3 316.493 2.069 20 0 DEADHP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3F)CC[NH2+]CC2)CCN1 ZINC001246438809 1140898667 /nfs/dbraw/zinc/89/86/67/1140898667.db2.gz TULWEJOVFGIDLN-HUUCEWRRSA-N 2 3 305.441 2.177 20 0 DEADHP C[C@@H]1C[C@H](NCC2(c3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246438809 1140898668 /nfs/dbraw/zinc/89/86/68/1140898668.db2.gz TULWEJOVFGIDLN-HUUCEWRRSA-N 2 3 305.441 2.177 20 0 DEADHP Fc1cccc(CC2([NH2+][C@@H]3CCC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246452155 1140902132 /nfs/dbraw/zinc/90/21/32/1140902132.db2.gz CNPMMSKBEOZLSG-QGZVFWFLSA-N 2 3 317.452 2.222 20 0 DEADHP c1csc(C[NH+]2C[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@H]3C2)c1 ZINC001246710247 1141040218 /nfs/dbraw/zinc/04/02/18/1141040218.db2.gz VSGFMFHIBLMEHT-DNLWUEFJSA-N 2 3 317.502 2.395 20 0 DEADHP c1ccc(C[C@@H]2C[C@@H]([NH+]3CC4(C3)CCC[NH2+]CC4)CCN2)cc1 ZINC001246852433 1141087267 /nfs/dbraw/zinc/08/72/67/1141087267.db2.gz DQGMMIHVKWBDQP-MOPGFXCFSA-N 2 3 313.489 2.425 20 0 DEADHP C[C@@H]([NH2+]Cc1cccc(OCCN(C)C)c1)C1CC[NH+](C)CC1 ZINC000162599314 539598155 /nfs/dbraw/zinc/59/81/55/539598155.db2.gz PILUVDWCRWINHB-MRXNPFEDSA-N 2 3 319.493 2.447 20 0 DEADHP C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000675784575 541382653 /nfs/dbraw/zinc/38/26/53/541382653.db2.gz ZGMFRXOIFAWYHT-IXDOHACOSA-N 2 3 311.514 2.196 20 0 DEADHP CCN1CCN(c2ccccc2C[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000415012934 404787837 /nfs/dbraw/zinc/78/78/37/404787837.db2.gz JVRSBCZMTAOKGV-KRWDZBQOSA-N 2 3 318.509 2.436 20 0 DEADHP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459793122 406049150 /nfs/dbraw/zinc/04/91/50/406049150.db2.gz SUXVGNNPWWAXGV-MRXNPFEDSA-N 2 3 302.466 2.372 20 0 DEADHP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459793122 406049154 /nfs/dbraw/zinc/04/91/54/406049154.db2.gz SUXVGNNPWWAXGV-MRXNPFEDSA-N 2 3 302.466 2.372 20 0 DEADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007983 406396905 /nfs/dbraw/zinc/39/69/05/406396905.db2.gz CHLNDIDCUHDSQJ-CVEARBPZSA-N 2 3 317.481 2.214 20 0 DEADHP CN(C)CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000647544679 407017855 /nfs/dbraw/zinc/01/78/55/407017855.db2.gz XPXNDWBGMRFQAN-HDICACEKSA-N 2 3 317.477 2.058 20 0 DEADHP CN(C)CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000647544679 407017857 /nfs/dbraw/zinc/01/78/57/407017857.db2.gz XPXNDWBGMRFQAN-HDICACEKSA-N 2 3 317.477 2.058 20 0 DEADHP C[C@@H](CCC[NH3+])[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000422936690 230286036 /nfs/dbraw/zinc/28/60/36/230286036.db2.gz FQJIDCMNYAORKP-SFHVURJKSA-N 2 3 318.509 2.306 20 0 DEADHP CN(C)CCOc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000650721000 425042913 /nfs/dbraw/zinc/04/29/13/425042913.db2.gz LIRDOEVUFPKWDY-UHFFFAOYSA-N 2 3 305.466 2.188 20 0 DEADHP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(OCCN(C)C)c1 ZINC000650744619 425046027 /nfs/dbraw/zinc/04/60/27/425046027.db2.gz RYMGBCWABKZVHP-OAHLLOKOSA-N 2 3 305.466 2.407 20 0 DEADHP CN(C)CCOc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655827251 425666720 /nfs/dbraw/zinc/66/67/20/425666720.db2.gz OVYQCVLSTRKMJE-CALCHBBNSA-N 2 3 305.466 2.057 20 0 DEADHP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000420387351 295335282 /nfs/dbraw/zinc/33/52/82/295335282.db2.gz VTIGFGOPKMBASM-ROUUACIJSA-N 2 3 309.498 2.081 20 0 DEADHP CC[NH+](CC)Cc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422780980 528191256 /nfs/dbraw/zinc/19/12/56/528191256.db2.gz IDISSGIWNSBFTL-ATZDWAIDSA-N 2 3 319.493 2.370 20 0 DEADHP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422794598 528199630 /nfs/dbraw/zinc/19/96/30/528199630.db2.gz UNGODYGPVQIBKK-ATZDWAIDSA-N 2 3 319.493 2.370 20 0 DEADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925541231 625273920 /nfs/dbraw/zinc/27/39/20/625273920.db2.gz JTRXAXAKDWIOCC-SQNIBIBYSA-N 2 3 311.514 2.101 20 0 DEADHP CCO[C@H](CC[NH+](C)C)CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925541231 625273924 /nfs/dbraw/zinc/27/39/24/625273924.db2.gz JTRXAXAKDWIOCC-SQNIBIBYSA-N 2 3 311.514 2.101 20 0 DEADHP c1ccc(CN2CC[C@H]3C[N@@H+](C[C@H]4CCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000381906088 685402034 /nfs/dbraw/zinc/40/20/34/685402034.db2.gz IUQHDIXILGHRMR-SLFFLAALSA-N 2 3 313.489 2.440 20 0 DEADHP c1ccc(CN2CC[C@H]3C[N@H+](C[C@H]4CCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000381906088 685402036 /nfs/dbraw/zinc/40/20/36/685402036.db2.gz IUQHDIXILGHRMR-SLFFLAALSA-N 2 3 313.489 2.440 20 0 DEADHP CC[NH+](CC)C1CCC([NH+](CCN(C)C)CCN(C)C)CC1 ZINC001173111556 793580638 /nfs/dbraw/zinc/58/06/38/793580638.db2.gz HFQBHJDAVIYYDX-UHFFFAOYSA-N 2 3 312.546 2.065 20 0 DEADHP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001155034987 797665216 /nfs/dbraw/zinc/66/52/16/797665216.db2.gz ZSDQDWBHODKCQZ-HUUCEWRRSA-N 2 3 317.481 2.057 20 0 DEADHP CC[C@H](NC1CCC(C)([NH+]2CCOCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC001551379249 1074196319 /nfs/dbraw/zinc/19/63/19/1074196319.db2.gz IUJBEDBNFSAXAF-SAGYGOJTSA-N 2 3 309.498 2.140 20 0 DEADHP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235792982 1084532089 /nfs/dbraw/zinc/53/20/89/1084532089.db2.gz WVAAUVXRQVIJCF-ALOPSCKCSA-N 2 3 310.445 2.199 20 0 DEADHP Fc1ccc(CC2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)cc1 ZINC001246383980 1140891772 /nfs/dbraw/zinc/89/17/72/1140891772.db2.gz KRURHQGGNGSQKI-UHFFFAOYSA-N 2 3 305.441 2.080 20 0 DEADHP CC(C)[C@@H]1C[C@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246426021 1140896985 /nfs/dbraw/zinc/89/69/85/1140896985.db2.gz FGHCXUZCWKNONK-SJORKVTESA-N 2 3 316.493 2.069 20 0 DEADHP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CC[NH2+]1 ZINC001246664479 1141029195 /nfs/dbraw/zinc/02/91/95/1141029195.db2.gz YBBQRTNUJOZGGS-ADBDHWBDSA-N 2 3 303.425 2.349 20 0 DEADHP NC1([C@@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]2CF)CC1 ZINC001246687760 1141035106 /nfs/dbraw/zinc/03/51/06/1141035106.db2.gz FRAXPXJTISEVTC-ORBLRFAASA-N 2 3 309.473 2.308 20 0 DEADHP NC1([C@@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]2CF)CC1 ZINC001246687760 1141035117 /nfs/dbraw/zinc/03/51/17/1141035117.db2.gz FRAXPXJTISEVTC-ORBLRFAASA-N 2 3 309.473 2.308 20 0 DEADHP c1cc(N2CCC(N3CC[C@H]4[NH2+]CCC[C@@H]4C3)CC2)cc[nH+]1 ZINC001247016464 1141246749 /nfs/dbraw/zinc/24/67/49/1141246749.db2.gz VRMLTKYJTYOBSZ-CRAIPNDOSA-N 2 3 300.450 2.124 20 0 DEADHP C[NH+](C)C1CCC([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256686389 1143862488 /nfs/dbraw/zinc/86/24/88/1143862488.db2.gz OXRDRRVXHHRCSL-UHFFFAOYSA-N 2 3 309.498 2.092 20 0 DEADHP CC[NH+](CC)CCOC1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000348213565 146235199 /nfs/dbraw/zinc/23/51/99/146235199.db2.gz WTCDSDLNGOPFIE-KRWDZBQOSA-N 2 3 311.514 2.294 20 0 DEADHP CCCC[C@H](CN)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423304597 405755032 /nfs/dbraw/zinc/75/50/32/405755032.db2.gz ZCJQDTKMHXAVGH-UWWQBHOKSA-N 2 3 303.450 2.349 20 0 DEADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000422907975 230273342 /nfs/dbraw/zinc/27/33/42/230273342.db2.gz CNDAGWOQBSGFEZ-FQBWVUSXSA-N 2 3 323.525 2.386 20 0 DEADHP NC[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422991622 230308794 /nfs/dbraw/zinc/30/87/94/230308794.db2.gz OYXUWQQDEKGNJM-FUHWJXTLSA-N 2 3 302.466 2.405 20 0 DEADHP C[N@H+]1CC=C(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423010878 277023567 /nfs/dbraw/zinc/02/35/67/277023567.db2.gz AAYVHTFUVCXAIQ-PKOBYXMFSA-N 2 3 313.445 2.094 20 0 DEADHP C[N@@H+]1CC=C(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423010878 277023568 /nfs/dbraw/zinc/02/35/68/277023568.db2.gz AAYVHTFUVCXAIQ-PKOBYXMFSA-N 2 3 313.445 2.094 20 0 DEADHP C[C@@H]1C[C@H](C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)CC[NH2+]1 ZINC000414692148 297399010 /nfs/dbraw/zinc/39/90/10/297399010.db2.gz PVQCPZCQVISACR-YWTNHNAXSA-N 2 3 323.525 2.196 20 0 DEADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000925718557 633490745 /nfs/dbraw/zinc/49/07/45/633490745.db2.gz YJUWXZHBCSUOEE-SQNIBIBYSA-N 2 3 305.510 2.475 20 0 DEADHP C[C@@H]1CN(CCCC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C[C@H](C)O1 ZINC000902345437 643002936 /nfs/dbraw/zinc/00/29/36/643002936.db2.gz CMNYUSDMUFSMAZ-BBWFWOEESA-N 2 3 311.514 2.244 20 0 DEADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925541227 693293066 /nfs/dbraw/zinc/29/30/66/693293066.db2.gz JTRXAXAKDWIOCC-FGTMMUONSA-N 2 3 311.514 2.101 20 0 DEADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925541227 693293069 /nfs/dbraw/zinc/29/30/69/693293069.db2.gz JTRXAXAKDWIOCC-FGTMMUONSA-N 2 3 311.514 2.101 20 0 DEADHP C[NH+](C)CC[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccnc1 ZINC000925828668 693348807 /nfs/dbraw/zinc/34/88/07/693348807.db2.gz YVKCYNVYHXPQHH-SPUZQDLCSA-N 2 3 302.466 2.052 20 0 DEADHP C[C@@]1(C[NH3+])CCCCN(Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001206556853 800554244 /nfs/dbraw/zinc/55/42/44/800554244.db2.gz YKXIIPKCWDYPHG-IBGZPJMESA-N 2 3 316.493 2.047 20 0 DEADHP CC1(C)[C@H](NC2CC(C[NH3+])(c3ccccc3)C2)[C@H]2CCC[NH2+][C@H]21 ZINC001550946324 1073969766 /nfs/dbraw/zinc/96/97/66/1073969766.db2.gz ZEPXLMRTBLAYDK-KZIZELGASA-N 2 3 313.489 2.412 20 0 DEADHP CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]C1CC(C[NH3+])(c2ccccc2)C1 ZINC001550946324 1073969773 /nfs/dbraw/zinc/96/97/73/1073969773.db2.gz ZEPXLMRTBLAYDK-KZIZELGASA-N 2 3 313.489 2.412 20 0 DEADHP c1ccc(C[NH+]2C[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@H]3C2)cc1 ZINC000705945119 1082043591 /nfs/dbraw/zinc/04/35/91/1082043591.db2.gz CWAYJTVNWSSNKO-BNCGXOKJSA-N 2 3 311.473 2.333 20 0 DEADHP c1cc2n(c1C[NH+]1CCC(CC3CC[NH2+]CC3)CC1)CCNC2 ZINC001236961198 1138467188 /nfs/dbraw/zinc/46/71/88/1138467188.db2.gz DCFHZAAEPSVXIJ-UHFFFAOYSA-N 2 3 316.493 2.193 20 0 DEADHP CC[C@@H]1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)O2)C[C@H](CC)[NH2+]1 ZINC001246136170 1140865022 /nfs/dbraw/zinc/86/50/22/1140865022.db2.gz RLZJTOUYVDTTJU-YVSFHVDLSA-N 2 3 309.498 2.186 20 0 DEADHP c1cncc([C@@H]2NCC[C@H]2C[NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001246340677 1140886000 /nfs/dbraw/zinc/88/60/00/1140886000.db2.gz MQIARUYFXRHDDP-KSZLIROESA-N 2 3 314.477 2.244 20 0 DEADHP c1cncc([C@@H]2NCC[C@@H]2C[NH2+]C2CCC3(CC[NH2+]C3)CC2)c1 ZINC001246341102 1140886156 /nfs/dbraw/zinc/88/61/56/1140886156.db2.gz ONEGIZUHMZYPNG-RRENTHDGSA-N 2 3 314.477 2.244 20 0 DEADHP Clc1cccc(C2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)c1 ZINC001246427338 1140897066 /nfs/dbraw/zinc/89/70/66/1140897066.db2.gz LWKZGUGIHFEZOO-UHFFFAOYSA-N 2 3 307.869 2.303 20 0 DEADHP CN(C)CCN([C@@H]1CCC[N@@H+](C2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246992190 1141225539 /nfs/dbraw/zinc/22/55/39/1141225539.db2.gz YFVPUBCLPRVSQG-RBUKOAKNSA-N 2 3 322.541 2.009 20 0 DEADHP CN(C)CCN([C@@H]1CCC[N@H+](C2CCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246992190 1141225564 /nfs/dbraw/zinc/22/55/64/1141225564.db2.gz YFVPUBCLPRVSQG-RBUKOAKNSA-N 2 3 322.541 2.009 20 0 DEADHP COc1ccc([C@H](C[NH3+])CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420328820 405321316 /nfs/dbraw/zinc/32/13/16/405321316.db2.gz NBHKSQOTTKLSLU-FGTMMUONSA-N 2 3 317.477 2.059 20 0 DEADHP C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000422716175 230175288 /nfs/dbraw/zinc/17/52/88/230175288.db2.gz MZZBMBJWJSJDRR-LPHOPBHVSA-N 2 3 319.493 2.495 20 0 DEADHP [NH3+][C@@H]1CCC[C@@H]1NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000423020105 230319829 /nfs/dbraw/zinc/31/98/29/230319829.db2.gz YTOCPUXDKCTWJN-MOPGFXCFSA-N 2 3 317.477 2.173 20 0 DEADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000422716177 534073672 /nfs/dbraw/zinc/07/36/72/534073672.db2.gz MZZBMBJWJSJDRR-VQIMIIECSA-N 2 3 319.493 2.495 20 0 DEADHP COCC[N@H+](C)CCCC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000340710591 536777532 /nfs/dbraw/zinc/77/75/32/536777532.db2.gz MUAPHVUAODTJSM-SFHVURJKSA-N 2 3 311.514 2.056 20 0 DEADHP COCC[N@@H+](C)CCCC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000340710591 536777537 /nfs/dbraw/zinc/77/75/37/536777537.db2.gz MUAPHVUAODTJSM-SFHVURJKSA-N 2 3 311.514 2.056 20 0 DEADHP C[NH+](C)CCOc1ccc(CN2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205274349 795892080 /nfs/dbraw/zinc/89/20/80/795892080.db2.gz VYNFTPLQEXCKHI-GOSISDBHSA-N 2 3 305.466 2.330 20 0 DEADHP Cc1cc(N2CCN(CCC3CC[NH+](C)CC3)CC2)cc[nH+]1 ZINC001207488431 800765955 /nfs/dbraw/zinc/76/59/55/800765955.db2.gz KVFDRESYIVNOML-UHFFFAOYSA-N 2 3 302.466 2.244 20 0 DEADHP CC(C)P(CCNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C(C)C ZINC001221254665 802543769 /nfs/dbraw/zinc/54/37/69/802543769.db2.gz RYXXIRGOWKURSE-HNNXBMFYSA-N 2 3 317.458 2.461 20 0 DEADHP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC1CC(C[NH3+])(c2ccccc2)C1 ZINC001550946325 1073969684 /nfs/dbraw/zinc/96/96/84/1073969684.db2.gz ZEPXLMRTBLAYDK-MOXMWUHRSA-N 2 3 313.489 2.412 20 0 DEADHP CC1(C)[C@@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CC(C[NH3+])(c2ccccc2)C1 ZINC001550946325 1073969693 /nfs/dbraw/zinc/96/96/93/1073969693.db2.gz ZEPXLMRTBLAYDK-MOXMWUHRSA-N 2 3 313.489 2.412 20 0 DEADHP CCN1CCC[C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000063917438 1075007212 /nfs/dbraw/zinc/00/72/12/1075007212.db2.gz AQBDIXUHXZHHLN-SFHVURJKSA-N 2 3 319.493 2.449 20 0 DEADHP [NH3+]CCCCC[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235368956 1084411440 /nfs/dbraw/zinc/41/14/40/1084411440.db2.gz XMVKHDDRPMGRFI-MOPGFXCFSA-N 2 3 301.478 2.369 20 0 DEADHP [NH3+]CCCCC[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235368956 1084411446 /nfs/dbraw/zinc/41/14/46/1084411446.db2.gz XMVKHDDRPMGRFI-MOPGFXCFSA-N 2 3 301.478 2.369 20 0 DEADHP [NH3+][C@H]1CC[C@H](N(Cc2ccncc2)C[C@H]2CCC[NH2+]C2)CC1 ZINC001236561964 1138375302 /nfs/dbraw/zinc/37/53/02/1138375302.db2.gz RMKBFSKRASTFEW-BZSNNMDCSA-N 2 3 302.466 2.153 20 0 DEADHP FC(F)(F)[C@]1(CNC2CCC3(CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001246114050 1140862395 /nfs/dbraw/zinc/86/23/95/1140862395.db2.gz RWNQXRXQBVJWER-JXQTWKCFSA-N 2 3 305.388 2.040 20 0 DEADHP FC(F)(F)[C@@]1(CNC2CCC3(CC[NH2+]C3)CC2)CC[NH2+]C1 ZINC001246114052 1140862825 /nfs/dbraw/zinc/86/28/25/1140862825.db2.gz RWNQXRXQBVJWER-RUXDESIVSA-N 2 3 305.388 2.040 20 0 DEADHP CCCC[C@@H]1C[C@H](NC[C@@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001246134788 1140865122 /nfs/dbraw/zinc/86/51/22/1140865122.db2.gz OALIEBFRAWXKBL-ZACQAIPSSA-N 2 3 309.498 2.188 20 0 DEADHP c1cncc([C@H]2NCC[C@H]2C[NH2+]C2CCC3(CC[NH2+]C3)CC2)c1 ZINC001246341100 1140885704 /nfs/dbraw/zinc/88/57/04/1140885704.db2.gz ONEGIZUHMZYPNG-BKVYNOPKSA-N 2 3 314.477 2.244 20 0 DEADHP C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3F)CC[NH2+]CC2)CCN1 ZINC001246436409 1140898225 /nfs/dbraw/zinc/89/82/25/1140898225.db2.gz XTIYXOQJYXHCNA-RDJZCZTQSA-N 2 3 319.468 2.468 20 0 DEADHP C[C@@H]1C[C@@H]([NH2+]CCCP(CCC[NH3+])c2ccccc2)CCN1 ZINC001246463391 1140910486 /nfs/dbraw/zinc/91/04/86/1140910486.db2.gz RLOHVIPDYTZGTL-KDPSSXBDSA-N 2 3 321.449 2.263 20 0 DEADHP C[C@@H]1CN(CCC2CC[NH+](CC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000178982403 402561957 /nfs/dbraw/zinc/56/19/57/402561957.db2.gz AHHMEUJMVJZUGY-CALCHBBNSA-N 2 3 323.525 2.197 20 0 DEADHP c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423348193 405771680 /nfs/dbraw/zinc/77/16/80/405771680.db2.gz SEQBTXAKQMOOSH-XUVXKRRUSA-N 2 3 311.473 2.406 20 0 DEADHP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423348193 405771684 /nfs/dbraw/zinc/77/16/84/405771684.db2.gz SEQBTXAKQMOOSH-XUVXKRRUSA-N 2 3 311.473 2.406 20 0 DEADHP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCC4=CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423348193 405771689 /nfs/dbraw/zinc/77/16/89/405771689.db2.gz SEQBTXAKQMOOSH-XUVXKRRUSA-N 2 3 311.473 2.406 20 0 DEADHP [NH3+][C@H]1C[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)c2ccccc21 ZINC000635013312 406400033 /nfs/dbraw/zinc/40/00/33/406400033.db2.gz XVGOKYKDCSMQBG-DLBZAZTESA-N 2 3 309.417 2.048 20 0 DEADHP CC(C)(C)[NH+]1CCC(Nc2cc(N3CCNCC3)cc[nH+]2)CC1 ZINC000635011114 406400268 /nfs/dbraw/zinc/40/02/68/406400268.db2.gz XOLXAYYWQBHRHZ-UHFFFAOYSA-N 2 3 317.481 2.166 20 0 DEADHP CCN1CCN(c2ccccc2C[NH2+][C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415037315 279375392 /nfs/dbraw/zinc/37/53/92/279375392.db2.gz MBMHVHHJXSQNJR-WMZOPIPTSA-N 2 3 316.493 2.046 20 0 DEADHP C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000422897397 534074682 /nfs/dbraw/zinc/07/46/82/534074682.db2.gz JLOYXSZJPHTNIJ-CRAIPNDOSA-N 2 3 305.466 2.105 20 0 DEADHP CC[NH+](CC)Cc1cccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000422695295 528195318 /nfs/dbraw/zinc/19/53/18/528195318.db2.gz PGMBLQAPXUJKNK-ATZDWAIDSA-N 2 3 319.493 2.370 20 0 DEADHP c1c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)sc2c1CNCC2 ZINC000873210554 689184688 /nfs/dbraw/zinc/18/46/88/689184688.db2.gz JWRIGIPAXGAZFQ-UONOGXRCSA-N 2 3 305.491 2.215 20 0 DEADHP c1c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)sc2c1CNCC2 ZINC000873210554 689184692 /nfs/dbraw/zinc/18/46/92/689184692.db2.gz JWRIGIPAXGAZFQ-UONOGXRCSA-N 2 3 305.491 2.215 20 0 DEADHP C[C@H]([NH2+]CCC1CC[NH+](Cc2ccccc2)CC1)C1CNC1 ZINC000873243304 689191934 /nfs/dbraw/zinc/19/19/34/689191934.db2.gz WFHLMHBMAUEVPR-INIZCTEOSA-N 2 3 301.478 2.486 20 0 DEADHP CC[NH+](CC)CCCN1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208114139 800915704 /nfs/dbraw/zinc/91/57/04/800915704.db2.gz RZAVRSNPPAVZLT-UHFFFAOYSA-N 2 3 324.557 2.068 20 0 DEADHP CN(Cc1cn2c3c1cccc3C[NH2+]CC2)C1(C)CC[NH2+]CC1 ZINC001236227742 1138341372 /nfs/dbraw/zinc/34/13/72/1138341372.db2.gz LGXMPZGNVZVJEK-UHFFFAOYSA-N 2 3 312.461 2.318 20 0 DEADHP COc1ccc(C[N@H+](CCCCC[NH3+])C2CCNCC2)cc1 ZINC001236440479 1138363262 /nfs/dbraw/zinc/36/32/62/1138363262.db2.gz MPUFKJQFNJTTNI-UHFFFAOYSA-N 2 3 305.466 2.378 20 0 DEADHP COc1ccc(C[N@@H+](CCCCC[NH3+])C2CCNCC2)cc1 ZINC001236440479 1138363264 /nfs/dbraw/zinc/36/32/64/1138363264.db2.gz MPUFKJQFNJTTNI-UHFFFAOYSA-N 2 3 305.466 2.378 20 0 DEADHP COc1ccc(CN(CCCCC[NH3+])C2CC[NH2+]CC2)cc1 ZINC001236440479 1138363266 /nfs/dbraw/zinc/36/32/66/1138363266.db2.gz MPUFKJQFNJTTNI-UHFFFAOYSA-N 2 3 305.466 2.378 20 0 DEADHP C[C@H]1C[C@H](N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246446725 1140899911 /nfs/dbraw/zinc/89/99/11/1140899911.db2.gz MEVQMCQPCDEWSV-LEUOFYLZSA-N 2 3 302.466 2.294 20 0 DEADHP C[C@H]1C[C@H]([N@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246446725 1140899913 /nfs/dbraw/zinc/89/99/13/1140899913.db2.gz MEVQMCQPCDEWSV-LEUOFYLZSA-N 2 3 302.466 2.294 20 0 DEADHP C[C@H]1C[C@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246446725 1140899915 /nfs/dbraw/zinc/89/99/15/1140899915.db2.gz MEVQMCQPCDEWSV-LEUOFYLZSA-N 2 3 302.466 2.294 20 0 DEADHP c1cc(N2CCC(N3CC[C@@H]4[NH2+]CCC[C@H]4C3)CC2)cc[nH+]1 ZINC001247016467 1141247590 /nfs/dbraw/zinc/24/75/90/1141247590.db2.gz VRMLTKYJTYOBSZ-YJBOKZPZSA-N 2 3 300.450 2.124 20 0 DEADHP CN1CCCC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000628425179 366847237 /nfs/dbraw/zinc/84/72/37/366847237.db2.gz COJXGMSGLMWHAX-INIZCTEOSA-N 2 3 302.466 2.372 20 0 DEADHP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(OCCN(C)C)c1 ZINC000562956091 292019246 /nfs/dbraw/zinc/01/92/46/292019246.db2.gz DBWANMQHPBJBNC-OAHLLOKOSA-N 2 3 305.466 2.277 20 0 DEADHP OCC[NH+]1CCC(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000151789618 402056879 /nfs/dbraw/zinc/05/68/79/402056879.db2.gz CMQUDTHUIITGKW-UHFFFAOYSA-N 2 3 323.525 2.077 20 0 DEADHP C[C@@H]1C[C@H](C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000414692144 404709879 /nfs/dbraw/zinc/70/98/79/404709879.db2.gz PVQCPZCQVISACR-VXIBKDFQSA-N 2 3 323.525 2.196 20 0 DEADHP CC[N@H+](CCC1CC[NH+](C[C@](C)(O)CNC)CC1)CC(C)C ZINC000569732870 406296676 /nfs/dbraw/zinc/29/66/76/406296676.db2.gz PJYJFRDQHWZCFG-GOSISDBHSA-N 2 3 313.530 2.037 20 0 DEADHP CC[N@@H+](CCC1CC[NH+](C[C@](C)(O)CNC)CC1)CC(C)C ZINC000569732870 406296682 /nfs/dbraw/zinc/29/66/82/406296682.db2.gz PJYJFRDQHWZCFG-GOSISDBHSA-N 2 3 313.530 2.037 20 0 DEADHP C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000647509881 407009962 /nfs/dbraw/zinc/00/99/62/407009962.db2.gz NXMWZKQZIDTZGJ-AEFFLSMTSA-N 2 3 317.477 2.330 20 0 DEADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422991626 230308656 /nfs/dbraw/zinc/30/86/56/230308656.db2.gz OYXUWQQDEKGNJM-WMZOPIPTSA-N 2 3 302.466 2.405 20 0 DEADHP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCC[NH+]2CCCCC2)C1 ZINC000652363801 425249426 /nfs/dbraw/zinc/24/94/26/425249426.db2.gz NVFSXLHDNIRRRA-KZNAEPCWSA-N 2 3 309.498 2.223 20 0 DEADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000577373037 326361357 /nfs/dbraw/zinc/36/13/57/326361357.db2.gz FVTJZQZLRJTNPY-JKSUJKDBSA-N 2 3 318.509 2.432 20 0 DEADHP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001155034985 797665257 /nfs/dbraw/zinc/66/52/57/797665257.db2.gz ZSDQDWBHODKCQZ-CABCVRRESA-N 2 3 317.481 2.057 20 0 DEADHP CC[C@H](NC1CCC(C)([NH+]2CCOCC2)CC1)[C@H]1CCC[NH2+]1 ZINC001551379242 1074196217 /nfs/dbraw/zinc/19/62/17/1074196217.db2.gz IUJBEDBNFSAXAF-JDEYZFBPSA-N 2 3 309.498 2.140 20 0 DEADHP CCN(Cc1cn2c3c1cccc3C[NH2+]CC2)C1CC[NH2+]CC1 ZINC001235764896 1084521147 /nfs/dbraw/zinc/52/11/47/1084521147.db2.gz OZKMRTPLZLSYQV-UHFFFAOYSA-N 2 3 312.461 2.318 20 0 DEADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc3n2CCNC3)CC2CCC2)CC1 ZINC001236541992 1138372584 /nfs/dbraw/zinc/37/25/84/1138372584.db2.gz LMIFAVAQKRCKSU-QAQDUYKDSA-N 2 3 316.493 2.463 20 0 DEADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc3n2CCNC3)CC2CCC2)CC1 ZINC001236541992 1138372591 /nfs/dbraw/zinc/37/25/91/1138372591.db2.gz LMIFAVAQKRCKSU-QAQDUYKDSA-N 2 3 316.493 2.463 20 0 DEADHP CCCC[C@@H]1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001246134786 1140865057 /nfs/dbraw/zinc/86/50/57/1140865057.db2.gz OALIEBFRAWXKBL-IKGGRYGDSA-N 2 3 309.498 2.188 20 0 DEADHP CCCC[C@@H]1C[C@@H]([NH2+]CC[C@@H]2C[NH2+]Cc3cccn3C2)CCN1 ZINC001246145066 1140866076 /nfs/dbraw/zinc/86/60/76/1140866076.db2.gz YPUHTBYBTYTYIP-KURKYZTESA-N 2 3 318.509 2.498 20 0 DEADHP COCCC1(C[NH2+][C@H]2CCN[C@@H](C(C)(C)C)C2)CC[NH2+]CC1 ZINC001246373440 1140889732 /nfs/dbraw/zinc/88/97/32/1140889732.db2.gz YGNWJULRSCKTCZ-JKSUJKDBSA-N 2 3 311.514 2.149 20 0 DEADHP Fc1ccc(CC2([NH2+][C@H]3CCC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246398863 1140894238 /nfs/dbraw/zinc/89/42/38/1140894238.db2.gz XXDBIKPUQFXECI-KRWDZBQOSA-N 2 3 317.452 2.222 20 0 DEADHP C(C1CCC1)C1([NH2+]C2CCC3(CC2)C[NH2+]CCO3)CCNCC1 ZINC001246445770 1140899983 /nfs/dbraw/zinc/89/99/83/1140899983.db2.gz IGHYUPLOBVUWGA-UHFFFAOYSA-N 2 3 321.509 2.190 20 0 DEADHP CC[NH+](CC)C[C@H](O)CNCC1CC[NH+](CC(C)(C)C)CC1 ZINC001253211537 1142854541 /nfs/dbraw/zinc/85/45/41/1142854541.db2.gz GYBICZRYIFELPB-QGZVFWFLSA-N 2 3 313.530 2.037 20 0 DEADHP CC(C)N1CCC([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])CC1 ZINC001257211810 1143893162 /nfs/dbraw/zinc/89/31/62/1143893162.db2.gz NKVFHDAOPXICPM-UHFFFAOYSA-N 2 3 312.546 2.335 20 0 DEADHP [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000414794357 404738011 /nfs/dbraw/zinc/73/80/11/404738011.db2.gz LYCJTYSPCHXIKX-PKOBYXMFSA-N 2 3 317.477 2.378 20 0 DEADHP CCN1CCN(c2ccccc2C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415037309 404792706 /nfs/dbraw/zinc/79/27/06/404792706.db2.gz MBMHVHHJXSQNJR-AEFFLSMTSA-N 2 3 316.493 2.046 20 0 DEADHP CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000647535656 407015841 /nfs/dbraw/zinc/01/58/41/407015841.db2.gz OSKZJBCWYAVOSV-INIZCTEOSA-N 2 3 305.466 2.188 20 0 DEADHP CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000647535656 407015844 /nfs/dbraw/zinc/01/58/44/407015844.db2.gz OSKZJBCWYAVOSV-INIZCTEOSA-N 2 3 305.466 2.188 20 0 DEADHP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000422741547 230185860 /nfs/dbraw/zinc/18/58/60/230185860.db2.gz OUBSEXQONZERPC-MJGOQNOKSA-N 2 3 319.493 2.277 20 0 DEADHP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000423081991 534074099 /nfs/dbraw/zinc/07/40/99/534074099.db2.gz CGHQDNZQXORUBY-BHIYHBOVSA-N 2 3 301.478 2.486 20 0 DEADHP CC[NH+](CC)Cc1cccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000422695297 528195066 /nfs/dbraw/zinc/19/50/66/528195066.db2.gz PGMBLQAPXUJKNK-KFKAGJAMSA-N 2 3 319.493 2.370 20 0 DEADHP C[C@@H]([NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CNC1 ZINC000902518395 643062319 /nfs/dbraw/zinc/06/23/19/643062319.db2.gz QGUOZLJINPZMMG-LBKNJMOBSA-N 2 3 313.489 2.485 20 0 DEADHP C[C@@H]([NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CNC1 ZINC000902518395 643062322 /nfs/dbraw/zinc/06/23/22/643062322.db2.gz QGUOZLJINPZMMG-LBKNJMOBSA-N 2 3 313.489 2.485 20 0 DEADHP [NH3+][C@H](C[C@@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC000903782706 643461683 /nfs/dbraw/zinc/46/16/83/643461683.db2.gz REMMYQKFHRAEHU-QXAKKESOSA-N 2 3 323.525 2.063 20 0 DEADHP CC(C)(C)CC[C@H](N)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000904374194 643649657 /nfs/dbraw/zinc/64/96/57/643649657.db2.gz OWIVTORPRCOHPC-YVSFHVDLSA-N 2 3 311.514 2.358 20 0 DEADHP CC(C)(C)CC[C@H](N)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000904374194 643649658 /nfs/dbraw/zinc/64/96/58/643649658.db2.gz OWIVTORPRCOHPC-YVSFHVDLSA-N 2 3 311.514 2.358 20 0 DEADHP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccccc2)[C@H](C)N)CC1 ZINC000925547861 693294298 /nfs/dbraw/zinc/29/42/98/693294298.db2.gz YFJNNEZFMDLJFY-HKUYNNGSSA-N 2 3 318.509 2.082 20 0 DEADHP CN1CCN(CC[NH2+][C@H](CCC[NH3+])c2ccccc2)CC1(C)C ZINC000925660980 693320193 /nfs/dbraw/zinc/32/01/93/693320193.db2.gz BEKKZXBPDYRGTQ-GOSISDBHSA-N 2 3 318.509 2.082 20 0 DEADHP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001363604778 1153482658 /nfs/dbraw/zinc/48/26/58/1153482658.db2.gz AWOVBVQBSBJQAA-VIQWUECVSA-N 2 3 323.525 2.341 20 0 DEADHP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001363604778 1153482659 /nfs/dbraw/zinc/48/26/59/1153482659.db2.gz AWOVBVQBSBJQAA-VIQWUECVSA-N 2 3 323.525 2.341 20 0 DEADHP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001363604770 1153482691 /nfs/dbraw/zinc/48/26/91/1153482691.db2.gz AWOVBVQBSBJQAA-LMDPOFIKSA-N 2 3 323.525 2.341 20 0 DEADHP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001363604770 1153482693 /nfs/dbraw/zinc/48/26/93/1153482693.db2.gz AWOVBVQBSBJQAA-LMDPOFIKSA-N 2 3 323.525 2.341 20 0 DEADHP [NH3+]Cc1ccccc1CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001160907602 798759865 /nfs/dbraw/zinc/75/98/65/798759865.db2.gz WREBUAFTEIIAEB-UHFFFAOYSA-N 2 3 311.433 2.080 20 0 DEADHP C[C@@]1([NH3+])CCCN(Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001205288195 800336909 /nfs/dbraw/zinc/33/69/09/800336909.db2.gz IAPOVGREUUCTNV-LJQANCHMSA-N 2 3 312.461 2.448 20 0 DEADHP Cc1cc(F)ccc1C[N@H+](C[C@H]1[C@@H]2C[NH2+]C[C@H]12)C1CCNCC1 ZINC001236517698 1138370467 /nfs/dbraw/zinc/37/04/67/1138370467.db2.gz OLBGDLMXXKZWHW-BWTSREIZSA-N 2 3 317.452 2.154 20 0 DEADHP Cc1cc(F)ccc1C[N@@H+](C[C@H]1[C@@H]2C[NH2+]C[C@H]12)C1CCNCC1 ZINC001236517698 1138370472 /nfs/dbraw/zinc/37/04/72/1138370472.db2.gz OLBGDLMXXKZWHW-BWTSREIZSA-N 2 3 317.452 2.154 20 0 DEADHP Cc1cc(F)ccc1CN(C[C@H]1[C@@H]2C[NH2+]C[C@H]12)C1CC[NH2+]CC1 ZINC001236517698 1138370475 /nfs/dbraw/zinc/37/04/75/1138370475.db2.gz OLBGDLMXXKZWHW-BWTSREIZSA-N 2 3 317.452 2.154 20 0 DEADHP [NH3+][C@@]12CC[C@@]([NH2+]C3CCC(N4CCOCC4)CC3)(C1)CCC2 ZINC001246338207 1140885460 /nfs/dbraw/zinc/88/54/60/1140885460.db2.gz CUZOZTWVBATKFX-ZGUYJTEBSA-N 2 3 307.482 2.024 20 0 DEADHP CC[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CCN1 ZINC001246376254 1140890196 /nfs/dbraw/zinc/89/01/96/1140890196.db2.gz VMCBEOCMMHPANE-MSOLQXFVSA-N 2 3 301.478 2.428 20 0 DEADHP CC[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CCN1 ZINC001246376257 1140890304 /nfs/dbraw/zinc/89/03/04/1140890304.db2.gz VMCBEOCMMHPANE-ZWKOTPCHSA-N 2 3 301.478 2.428 20 0 DEADHP [NH3+][C@H]1CC[C@H](N(Cc2ccncc2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246449433 1140899837 /nfs/dbraw/zinc/89/98/37/1140899837.db2.gz WAWMUYOWZSSBPX-PVTCGPCQSA-N 2 3 314.477 2.437 20 0 DEADHP C[C@H]1C[C@H]([NH2+]CCCP(CCC[NH3+])c2ccccc2)CCN1 ZINC001246463392 1140911391 /nfs/dbraw/zinc/91/13/91/1140911391.db2.gz RLOHVIPDYTZGTL-NCHORFDRSA-N 2 3 321.449 2.263 20 0 DEADHP c1ccc2c(c1)C[NH2+]CC21CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246640192 1141019805 /nfs/dbraw/zinc/01/98/05/1141019805.db2.gz SOOGGSMSXXJVQM-JWTNVVGKSA-N 2 3 311.473 2.406 20 0 DEADHP c1ccc2c(c1)C[NH2+]CC21CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246640180 1141020417 /nfs/dbraw/zinc/02/04/17/1141020417.db2.gz SOOGGSMSXXJVQM-BCDXTJNWSA-N 2 3 311.473 2.406 20 0 DEADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423100005 532965257 /nfs/dbraw/zinc/96/52/57/532965257.db2.gz GCWCDDQHRHOMBJ-CABCVRRESA-N 2 3 305.466 2.375 20 0 DEADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000568381390 292336337 /nfs/dbraw/zinc/33/63/37/292336337.db2.gz DAWIFCMMRIUTHR-CYBMUJFWSA-N 2 3 302.466 2.374 20 0 DEADHP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(OCCN(C)C)c1 ZINC000423328282 405764333 /nfs/dbraw/zinc/76/43/33/405764333.db2.gz AOYNBVPWPCVINU-HNNXBMFYSA-N 2 3 303.450 2.197 20 0 DEADHP CN(C)CCOc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647789513 407051353 /nfs/dbraw/zinc/05/13/53/407051353.db2.gz GTSIJODFGMXJJH-RCCFBDPRSA-N 2 3 317.477 2.105 20 0 DEADHP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000422705252 230170672 /nfs/dbraw/zinc/17/06/72/230170672.db2.gz BOGXLYSALNDKJO-KRWDZBQOSA-N 2 3 318.509 2.041 20 0 DEADHP C[NH+](C)CCCOc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422718190 230176290 /nfs/dbraw/zinc/17/62/90/230176290.db2.gz PHOQDNSOCJVSIC-AEFFLSMTSA-N 2 3 305.466 2.234 20 0 DEADHP [NH3+][C@@H]1CCC[C@H]1NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000423020108 230319106 /nfs/dbraw/zinc/31/91/06/230319106.db2.gz YTOCPUXDKCTWJN-RTBURBONSA-N 2 3 317.477 2.173 20 0 DEADHP CCCC[C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(C2)CC[NH2+]CC3)CCN1 ZINC001246127393 1140863783 /nfs/dbraw/zinc/86/37/83/1140863783.db2.gz PBYOHZNLWINDSU-BBWFWOEESA-N 2 3 309.498 2.046 20 0 DEADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[C@H]2C[NH2+]Cc3cccn3C2)CCN1 ZINC001246138530 1140865353 /nfs/dbraw/zinc/86/53/53/1140865353.db2.gz JKCKMBDJMYVPCO-JZXOWHBKSA-N 2 3 318.509 2.354 20 0 DEADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCOC23CC[NH2+]CC3)CCN1 ZINC001246143104 1140866251 /nfs/dbraw/zinc/86/62/51/1140866251.db2.gz SVJGBESBXCULKW-ULQDDVLXSA-N 2 3 323.525 2.292 20 0 DEADHP C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246246578 1140877249 /nfs/dbraw/zinc/87/72/49/1140877249.db2.gz IYJJPZPPCALSBT-SJORKVTESA-N 2 3 321.509 2.190 20 0 DEADHP COc1ccc(C2(N[C@H]3CCC4(C[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246382159 1140891534 /nfs/dbraw/zinc/89/15/34/1140891534.db2.gz YKGZNVBVZXFGEV-INIZCTEOSA-N 2 3 315.461 2.006 20 0 DEADHP COc1cccc(C2(C[NH2+][C@H]3CCN[C@@H](C)C3)CC[NH2+]CC2)c1 ZINC001246392679 1140892976 /nfs/dbraw/zinc/89/29/76/1140892976.db2.gz QYVOXEKNCHWYJZ-RDJZCZTQSA-N 2 3 317.477 2.047 20 0 DEADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246422258 1140897012 /nfs/dbraw/zinc/89/70/12/1140897012.db2.gz SNJDQXSCORANER-ALXJQNPVSA-N 2 3 316.493 2.113 20 0 DEADHP CN(C)CCN([C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246992187 1141227151 /nfs/dbraw/zinc/22/71/51/1141227151.db2.gz YFVPUBCLPRVSQG-MOPGFXCFSA-N 2 3 322.541 2.009 20 0 DEADHP CN(C)CCN([C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246992187 1141227164 /nfs/dbraw/zinc/22/71/64/1141227164.db2.gz YFVPUBCLPRVSQG-MOPGFXCFSA-N 2 3 322.541 2.009 20 0 DEADHP COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420328822 405321631 /nfs/dbraw/zinc/32/16/31/405321631.db2.gz NBHKSQOTTKLSLU-KZNAEPCWSA-N 2 3 317.477 2.059 20 0 DEADHP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OCCN(C)C)cc1 ZINC000423240710 405733268 /nfs/dbraw/zinc/73/32/68/405733268.db2.gz CQTRSMGLXWRKKS-JKSUJKDBSA-N 2 3 305.466 2.277 20 0 DEADHP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(OCCN(C)C)c1 ZINC000423248105 405734479 /nfs/dbraw/zinc/73/44/79/405734479.db2.gz MOPRDMMYSUGVQK-HZPDHXFCSA-N 2 3 305.466 2.277 20 0 DEADHP C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)C1CC[NH+](C)CC1 ZINC000903381848 643334922 /nfs/dbraw/zinc/33/49/22/643334922.db2.gz AEYOSFNGGRMDJU-MAUKXSAKSA-N 2 3 304.482 2.394 20 0 DEADHP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCCCCCC[NH3+])CC1 ZINC000844221270 651096075 /nfs/dbraw/zinc/09/60/75/651096075.db2.gz BJXGDCRDUYJAFJ-OALUTQOASA-N 2 3 324.557 2.386 20 0 DEADHP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294911 689204254 /nfs/dbraw/zinc/20/42/54/689204254.db2.gz VWVIRZPDKXDRKN-ZACQAIPSSA-N 2 3 309.498 2.046 20 0 DEADHP CC(C)CC[NH+]1CCC(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925540632 693293038 /nfs/dbraw/zinc/29/30/38/693293038.db2.gz DFZYCJMHWQCHME-FKSLSLAPSA-N 2 3 305.510 2.331 20 0 DEADHP C[C@H]1[C@H](C[NH3+])CCCN1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001205914813 800443382 /nfs/dbraw/zinc/44/33/82/800443382.db2.gz OADRMWWTPMSLFD-GJZGRUSLSA-N 2 3 312.461 2.304 20 0 DEADHP C[C@@H]1C[N@@H+](CC2CCN(C[C@H]3CCCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC001553304894 1074834533 /nfs/dbraw/zinc/83/45/33/1074834533.db2.gz NNTGIZKJNXTGHE-SCTDSRPQSA-N 2 3 323.525 2.197 20 0 DEADHP C[C@@H]1C[N@H+](CC2CCN(C[C@H]3CCCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC001553304894 1074834535 /nfs/dbraw/zinc/83/45/35/1074834535.db2.gz NNTGIZKJNXTGHE-SCTDSRPQSA-N 2 3 323.525 2.197 20 0 DEADHP C[NH+]1CCC(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC001647477738 1074937000 /nfs/dbraw/zinc/93/70/00/1074937000.db2.gz SMJNOKQELKBKTG-HXUWFJFHSA-N 2 3 315.505 2.482 20 0 DEADHP Cc1noc(C)c1C[N@@H+]1CCCC12CCN(CCCC[NH3+])CC2 ZINC001235488281 1084445003 /nfs/dbraw/zinc/44/50/03/1084445003.db2.gz LGESQUOBUGYKBC-UHFFFAOYSA-N 2 3 320.481 2.461 20 0 DEADHP Cc1noc(C)c1C[N@H+]1CCCC12CCN(CCCC[NH3+])CC2 ZINC001235488281 1084445008 /nfs/dbraw/zinc/44/50/08/1084445008.db2.gz LGESQUOBUGYKBC-UHFFFAOYSA-N 2 3 320.481 2.461 20 0 DEADHP C[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@H]1CCCC[C@H]1N ZINC001236215045 1138340618 /nfs/dbraw/zinc/34/06/18/1138340618.db2.gz HBFXNIHNIMEDBN-MSOLQXFVSA-N 2 3 312.461 2.446 20 0 DEADHP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@H]1CCCC[C@H]1N ZINC001236215045 1138340620 /nfs/dbraw/zinc/34/06/20/1138340620.db2.gz HBFXNIHNIMEDBN-MSOLQXFVSA-N 2 3 312.461 2.446 20 0 DEADHP CCCC[C@@H]1C[C@@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246247355 1140877625 /nfs/dbraw/zinc/87/76/25/1140877625.db2.gz KZVAXEYNQQFUCK-IKGGRYGDSA-N 2 3 309.498 2.046 20 0 DEADHP c1cncc([C@@H]2NCC[C@H]2C[NH2+]C2CCC3(CC[NH2+]C3)CC2)c1 ZINC001246341101 1140886021 /nfs/dbraw/zinc/88/60/21/1140886021.db2.gz ONEGIZUHMZYPNG-BMHOQUIDSA-N 2 3 314.477 2.244 20 0 DEADHP COc1ccc(C2(C[NH2+][C@H]3CCN[C@@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246414939 1140896105 /nfs/dbraw/zinc/89/61/05/1140896105.db2.gz JLQSFYWAMMNKEL-RDJZCZTQSA-N 2 3 317.477 2.047 20 0 DEADHP CC1(C)C[C@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246420567 1140896617 /nfs/dbraw/zinc/89/66/17/1140896617.db2.gz JRLHCPSRYFGQEJ-QGZVFWFLSA-N 2 3 316.493 2.114 20 0 DEADHP C[C@@H]1C[C@H]([NH2+]CCCP(CCC[NH3+])c2ccccc2)CCN1 ZINC001246463394 1140912200 /nfs/dbraw/zinc/91/22/00/1140912200.db2.gz RLOHVIPDYTZGTL-SKLUMECTSA-N 2 3 321.449 2.263 20 0 DEADHP c1ccc(C[C@H]2C[C@H](N3CCC(C4C[NH2+]C4)CC3)CC[NH2+]2)cc1 ZINC001246678932 1141033309 /nfs/dbraw/zinc/03/33/09/1141033309.db2.gz ONTFOCNLNYDNGK-VQTJNVASSA-N 2 3 313.489 2.281 20 0 DEADHP F[C@@H]1CCNC[C@@]12CC[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246685776 1141035298 /nfs/dbraw/zinc/03/52/98/1141035298.db2.gz BXBMLMLSAVUHEW-GPQLOAJWSA-N 2 3 309.473 2.322 20 0 DEADHP F[C@@H]1CCNC[C@@]12CC[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246685776 1141035306 /nfs/dbraw/zinc/03/53/06/1141035306.db2.gz BXBMLMLSAVUHEW-GPQLOAJWSA-N 2 3 309.473 2.322 20 0 DEADHP c1ccc2c(c1)CN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC21CC[NH2+]CC1 ZINC001246861330 1141091029 /nfs/dbraw/zinc/09/10/29/1141091029.db2.gz OYYMZEVDFFROLK-JWTNVVGKSA-N 2 3 311.473 2.406 20 0 DEADHP CC[NH+](CC)Cc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422780983 284736406 /nfs/dbraw/zinc/73/64/06/284736406.db2.gz IDISSGIWNSBFTL-ZYSHUDEJSA-N 2 3 319.493 2.370 20 0 DEADHP CC(C)N1CCN(CCC[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000192724717 402746232 /nfs/dbraw/zinc/74/62/32/402746232.db2.gz SHOIYOZQPCWWPJ-UHFFFAOYSA-N 2 3 324.557 2.066 20 0 DEADHP C[C@@H]1CN(CCC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000420323700 405319547 /nfs/dbraw/zinc/31/95/47/405319547.db2.gz UNQOQSCTERYZHC-SCTDSRPQSA-N 2 3 323.525 2.197 20 0 DEADHP CC(C)C[C@H](CN)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423262572 405740275 /nfs/dbraw/zinc/74/02/75/405740275.db2.gz MSUJKYQUFZEWPX-QGPMSJSTSA-N 2 3 303.450 2.205 20 0 DEADHP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(OCCN(C)C)cc1 ZINC000423493938 405826764 /nfs/dbraw/zinc/82/67/64/405826764.db2.gz RKENPRBPVBOKHL-YQQAZPJKSA-N 2 3 305.466 2.405 20 0 DEADHP C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000647509882 407009927 /nfs/dbraw/zinc/00/99/27/407009927.db2.gz NXMWZKQZIDTZGJ-FUHWJXTLSA-N 2 3 317.477 2.330 20 0 DEADHP C([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000657537291 425359322 /nfs/dbraw/zinc/35/93/22/425359322.db2.gz GXACUVHCLBVIGG-MJGOQNOKSA-N 2 3 321.509 2.094 20 0 DEADHP c1ccc(C[NH+]2CCC(C[NH2+]C[C@@H]3CCCNC3)CC2)cc1 ZINC000397648029 269106989 /nfs/dbraw/zinc/10/69/89/269106989.db2.gz VRINTQIZDGUVFP-LJQANCHMSA-N 2 3 301.478 2.488 20 0 DEADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000577373036 326361292 /nfs/dbraw/zinc/36/12/92/326361292.db2.gz FVTJZQZLRJTNPY-HZPDHXFCSA-N 2 3 318.509 2.432 20 0 DEADHP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccccc2)[C@H](C)N)CC1 ZINC000925547864 625313143 /nfs/dbraw/zinc/31/31/43/625313143.db2.gz YFJNNEZFMDLJFY-PKOBYXMFSA-N 2 3 318.509 2.082 20 0 DEADHP [NH3+]C[C@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1C(F)(F)F ZINC000923400395 637159495 /nfs/dbraw/zinc/15/94/95/637159495.db2.gz AIFYLMSRYGWPEY-SCXOTVEISA-N 2 3 319.415 2.366 20 0 DEADHP C[C@@H]1CN(CCCC2CC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC000883448278 691513076 /nfs/dbraw/zinc/51/30/76/691513076.db2.gz ZMBFJCKAKQRMKA-MRXNPFEDSA-N 2 3 302.466 2.372 20 0 DEADHP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000883448278 691513080 /nfs/dbraw/zinc/51/30/80/691513080.db2.gz ZMBFJCKAKQRMKA-MRXNPFEDSA-N 2 3 302.466 2.372 20 0 DEADHP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000883448278 691513082 /nfs/dbraw/zinc/51/30/82/691513082.db2.gz ZMBFJCKAKQRMKA-MRXNPFEDSA-N 2 3 302.466 2.372 20 0 DEADHP CCN([C@@H]1CCOC1)C1CC[NH+](CC2CC[NH+](CC)CC2)CC1 ZINC001208597663 801023312 /nfs/dbraw/zinc/02/33/12/801023312.db2.gz KIMKQXPPXHCAHG-LJQANCHMSA-N 2 3 323.525 2.294 20 0 DEADHP [NH3+]C1CC2(C1)CCN(Cc1cn3c4c1cccc4C[NH2+]CC3)CC2 ZINC001222215280 802656193 /nfs/dbraw/zinc/65/61/93/802656193.db2.gz BFXQSSSACOGVPR-UHFFFAOYSA-N 2 3 324.472 2.448 20 0 DEADHP C[N@@H+]1CCC[C@@H]1CCN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001578528055 1067124603 /nfs/dbraw/zinc/12/46/03/1067124603.db2.gz BUFJVLNGTHUDRK-GOSISDBHSA-N 2 3 301.478 2.463 20 0 DEADHP C[N@H+]1CCC[C@@H]1CCN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001578528055 1067124607 /nfs/dbraw/zinc/12/46/07/1067124607.db2.gz BUFJVLNGTHUDRK-GOSISDBHSA-N 2 3 301.478 2.463 20 0 DEADHP C[C@@H]1C[C@H]([NH2+]CC2(Cc3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246376050 1140890183 /nfs/dbraw/zinc/89/01/83/1140890183.db2.gz KOZMJXURACNNSG-CRAIPNDOSA-N 2 3 319.468 2.468 20 0 DEADHP C1C[NH2+]CC2(C1)CCC(N1CCOC[C@]3(CCC[NH2+]C3)C1)CC2 ZINC001246644333 1141023216 /nfs/dbraw/zinc/02/32/16/1141023216.db2.gz GFZINTFNQQKAQX-ACBHZAAOSA-N 2 3 321.509 2.001 20 0 DEADHP CC[NH+](CC)C[C@@H](O)CNCC1CC[NH+](CC(C)(C)C)CC1 ZINC001253211536 1142854401 /nfs/dbraw/zinc/85/44/01/1142854401.db2.gz GYBICZRYIFELPB-KRWDZBQOSA-N 2 3 313.530 2.037 20 0 DEADHP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000415026209 404790280 /nfs/dbraw/zinc/79/02/80/404790280.db2.gz SVYBUUCULAOYPV-INIZCTEOSA-N 2 3 318.509 2.434 20 0 DEADHP CCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415037311 404792753 /nfs/dbraw/zinc/79/27/53/404792753.db2.gz MBMHVHHJXSQNJR-FUHWJXTLSA-N 2 3 316.493 2.046 20 0 DEADHP C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000647509883 407009737 /nfs/dbraw/zinc/00/97/37/407009737.db2.gz NXMWZKQZIDTZGJ-SJLPKXTDSA-N 2 3 317.477 2.330 20 0 DEADHP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662279072 425611882 /nfs/dbraw/zinc/61/18/82/425611882.db2.gz PQIHUWUFHGDNGM-SFHVURJKSA-N 2 3 323.525 2.341 20 0 DEADHP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662279070 425612300 /nfs/dbraw/zinc/61/23/00/425612300.db2.gz PQIHUWUFHGDNGM-GOSISDBHSA-N 2 3 323.525 2.341 20 0 DEADHP C[C@H]1C[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC001205130866 800302116 /nfs/dbraw/zinc/30/21/16/800302116.db2.gz MXFXUWGDSKYGFJ-YTQUADARSA-N 2 3 301.478 2.425 20 0 DEADHP C[C@H]1C[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC001205130866 800302121 /nfs/dbraw/zinc/30/21/21/800302121.db2.gz MXFXUWGDSKYGFJ-YTQUADARSA-N 2 3 301.478 2.425 20 0 DEADHP CCN([C@H]1CCOC1)C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC001208113259 800914823 /nfs/dbraw/zinc/91/48/23/800914823.db2.gz FOVALLSAXSALRE-SFHVURJKSA-N 2 3 323.525 2.294 20 0 DEADHP CCCC[C@@H]1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)CO2)CC[NH2+]1 ZINC001246189391 1140871623 /nfs/dbraw/zinc/87/16/23/1140871623.db2.gz XTMNNLDMTGOCRH-FGTMMUONSA-N 2 3 323.525 2.436 20 0 DEADHP C[C@H]1C[C@H](N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246403472 1140894915 /nfs/dbraw/zinc/89/49/15/1140894915.db2.gz MPCSMVKIQKLALR-LEUOFYLZSA-N 2 3 302.466 2.294 20 0 DEADHP CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246423362 1140897129 /nfs/dbraw/zinc/89/71/29/1140897129.db2.gz ZNLJKPFWHQCGDJ-SJORKVTESA-N 2 3 316.493 2.114 20 0 DEADHP COc1ccc([C@H](CN)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420308829 405314038 /nfs/dbraw/zinc/31/40/38/405314038.db2.gz DNHYOMVKOVYVHW-QZTJIDSGSA-N 2 3 317.477 2.059 20 0 DEADHP CN(C)CCOc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000647542588 407016752 /nfs/dbraw/zinc/01/67/52/407016752.db2.gz WUHKAVOBTKSHMN-UHFFFAOYSA-N 2 3 317.477 2.203 20 0 DEADHP C[NH+](C)CCOc1ccc(CN2CCCC[C@H]2CC[NH3+])cc1 ZINC000647541415 407017038 /nfs/dbraw/zinc/01/70/38/407017038.db2.gz ZGWYCTBMAPRVIV-KRWDZBQOSA-N 2 3 305.466 2.330 20 0 DEADHP C[C@@H]1C[C@@H](C)N(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000643427609 406999066 /nfs/dbraw/zinc/99/90/66/406999066.db2.gz MVTDLSFFLHNDGO-NUJGCVRESA-N 2 3 319.493 2.432 20 0 DEADHP C[C@@H]1C[C@@H](C)N(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000643427608 406999324 /nfs/dbraw/zinc/99/93/24/406999324.db2.gz MVTDLSFFLHNDGO-JFIYKMOQSA-N 2 3 319.493 2.432 20 0 DEADHP [NH3+][C@H]1CCC[C@H]1NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000423020107 230319686 /nfs/dbraw/zinc/31/96/86/230319686.db2.gz YTOCPUXDKCTWJN-RBUKOAKNSA-N 2 3 317.477 2.173 20 0 DEADHP Cc1nc(N[C@H](C)CC[NH+](C)C)cc(N[C@H](C)CC[NH+](C)C)n1 ZINC000533560307 421678581 /nfs/dbraw/zinc/67/85/81/421678581.db2.gz HOHUTJWKJMMHJP-ZIAGYGMSSA-N 2 3 322.501 2.289 20 0 DEADHP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000420387346 295302861 /nfs/dbraw/zinc/30/28/61/295302861.db2.gz VTIGFGOPKMBASM-MSOLQXFVSA-N 2 3 309.498 2.081 20 0 DEADHP [NH3+]C[C@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1C(F)(F)F ZINC000923400380 637159317 /nfs/dbraw/zinc/15/93/17/637159317.db2.gz AIFYLMSRYGWPEY-OEWLLCOZSA-N 2 3 319.415 2.366 20 0 DEADHP C[C@H]1CC[C@H](C[NH3+])CN1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001206808017 800597307 /nfs/dbraw/zinc/59/73/07/800597307.db2.gz JMIWILYHEMSEMU-LSDHHAIUSA-N 2 3 312.461 2.304 20 0 DEADHP CC[C@@H](NC1CCC(C)([NH+]2CCOCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC001551379252 1074196388 /nfs/dbraw/zinc/19/63/88/1074196388.db2.gz IUJBEDBNFSAXAF-UMQBVGHOSA-N 2 3 309.498 2.140 20 0 DEADHP COc1ccc(C[N@H+](CC2CC[NH2+]CC2)C2CCNCC2)cc1 ZINC001236438970 1138363318 /nfs/dbraw/zinc/36/33/18/1138363318.db2.gz CEPXAPDZLBWGCA-UHFFFAOYSA-N 2 3 317.477 2.249 20 0 DEADHP COc1ccc(C[N@@H+](CC2CC[NH2+]CC2)C2CCNCC2)cc1 ZINC001236438970 1138363323 /nfs/dbraw/zinc/36/33/23/1138363323.db2.gz CEPXAPDZLBWGCA-UHFFFAOYSA-N 2 3 317.477 2.249 20 0 DEADHP Fc1cccc(C2(CN[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)c1 ZINC001246386283 1140892404 /nfs/dbraw/zinc/89/24/04/1140892404.db2.gz HJUHFJCERLOQAF-PIIMJCKOSA-N 2 3 317.452 2.320 20 0 DEADHP Fc1ccccc1CC1(C[NH2+]C2CCNCC2)CC[NH2+]CC1 ZINC001246434438 1140897843 /nfs/dbraw/zinc/89/78/43/1140897843.db2.gz QPULVTBKVMJXFM-UHFFFAOYSA-N 2 3 305.441 2.080 20 0 DEADHP CC[N@H+](CCC1CC[NH+](C[C@@](C)(O)CNC)CC1)CC(C)C ZINC000569732888 406296571 /nfs/dbraw/zinc/29/65/71/406296571.db2.gz PJYJFRDQHWZCFG-SFHVURJKSA-N 2 3 313.530 2.037 20 0 DEADHP CC[N@@H+](CCC1CC[NH+](C[C@@](C)(O)CNC)CC1)CC(C)C ZINC000569732888 406296575 /nfs/dbraw/zinc/29/65/75/406296575.db2.gz PJYJFRDQHWZCFG-SFHVURJKSA-N 2 3 313.530 2.037 20 0 DEADHP C[C@@H]1CN(CCC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000420323701 229653913 /nfs/dbraw/zinc/65/39/13/229653913.db2.gz UNQOQSCTERYZHC-ZHALLVOQSA-N 2 3 323.525 2.197 20 0 DEADHP C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422811375 230221157 /nfs/dbraw/zinc/22/11/57/230221157.db2.gz UNUPLDGECOILTM-IPELMVKDSA-N 2 3 317.477 2.124 20 0 DEADHP C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422884367 230256610 /nfs/dbraw/zinc/25/66/10/230256610.db2.gz SAQZTYHJUDLVPU-FCGDIQPGSA-N 2 3 323.525 2.388 20 0 DEADHP C[C@@H]1CCCC[N@H+]1CCCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422884367 230256616 /nfs/dbraw/zinc/25/66/16/230256616.db2.gz SAQZTYHJUDLVPU-FCGDIQPGSA-N 2 3 323.525 2.388 20 0 DEADHP CN(C)CCOc1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000666902406 425207459 /nfs/dbraw/zinc/20/74/59/425207459.db2.gz ODVORPAKYCQYAX-KRWDZBQOSA-N 2 3 305.466 2.249 20 0 DEADHP C[C@H](CCC[NH3+])[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000422936689 533869115 /nfs/dbraw/zinc/86/91/15/533869115.db2.gz FQJIDCMNYAORKP-GOSISDBHSA-N 2 3 318.509 2.306 20 0 DEADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C[C@H](C)O1 ZINC000902345439 643002869 /nfs/dbraw/zinc/00/28/69/643002869.db2.gz CMNYUSDMUFSMAZ-IXDOHACOSA-N 2 3 311.514 2.244 20 0 DEADHP c1c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)sc2c1CNCC2 ZINC000873210552 689184490 /nfs/dbraw/zinc/18/44/90/689184490.db2.gz JWRIGIPAXGAZFQ-KBPBESRZSA-N 2 3 305.491 2.215 20 0 DEADHP c1c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)sc2c1CNCC2 ZINC000873210552 689184492 /nfs/dbraw/zinc/18/44/92/689184492.db2.gz JWRIGIPAXGAZFQ-KBPBESRZSA-N 2 3 305.491 2.215 20 0 DEADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925541228 693292825 /nfs/dbraw/zinc/29/28/25/693292825.db2.gz JTRXAXAKDWIOCC-KURKYZTESA-N 2 3 311.514 2.101 20 0 DEADHP CCO[C@H](CC[NH+](C)C)CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925541228 693292827 /nfs/dbraw/zinc/29/28/27/693292827.db2.gz JTRXAXAKDWIOCC-KURKYZTESA-N 2 3 311.514 2.101 20 0 DEADHP C[NH+](C)CC(C)(C)CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001157944345 798310488 /nfs/dbraw/zinc/31/04/88/798310488.db2.gz JXSJWIAOQBCYQF-UHFFFAOYSA-N 2 3 305.470 2.009 20 0 DEADHP CN(C)C1(CNc2ccc(C3([NH3+])CCC3)cc2)CC[NH+](C)CC1 ZINC001164213609 799540216 /nfs/dbraw/zinc/54/02/16/799540216.db2.gz YOFYUSFFYBURFV-UHFFFAOYSA-N 2 3 316.493 2.462 20 0 DEADHP CCN([C@@H]1CCOC1)C1CC[NH+](CCC2CC[NH+](C)CC2)CC1 ZINC001207487228 800765136 /nfs/dbraw/zinc/76/51/36/800765136.db2.gz UMIKYBUTBMCZSQ-LJQANCHMSA-N 2 3 323.525 2.294 20 0 DEADHP COc1ccc2c(c1)C1(CCNCC1)[N@@H+](CCCCC[NH3+])CC2 ZINC001235019957 1084277826 /nfs/dbraw/zinc/27/78/26/1084277826.db2.gz QOESLECJWSDEHX-UHFFFAOYSA-N 2 3 317.477 2.261 20 0 DEADHP COc1ccc2c(c1)C1(CCNCC1)[N@H+](CCCCC[NH3+])CC2 ZINC001235019957 1084277830 /nfs/dbraw/zinc/27/78/30/1084277830.db2.gz QOESLECJWSDEHX-UHFFFAOYSA-N 2 3 317.477 2.261 20 0 DEADHP CCCC[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCOC23CC[NH2+]CC3)CCN1 ZINC001246143175 1140865957 /nfs/dbraw/zinc/86/59/57/1140865957.db2.gz UJOAUCOAOVGJLM-KSZLIROESA-N 2 3 323.525 2.436 20 0 DEADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3)CC[NH2+]CC2)CCN1 ZINC001246432623 1140897484 /nfs/dbraw/zinc/89/74/84/1140897484.db2.gz CVHDBBOSVYETST-AEFFLSMTSA-N 2 3 301.478 2.329 20 0 DEADHP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(O)CC[NH+](C)CC2)CC1 ZINC000358649294 404770729 /nfs/dbraw/zinc/77/07/29/404770729.db2.gz KMOLEDDYPAGXGM-FUHWJXTLSA-N 2 3 323.525 2.076 20 0 DEADHP C(CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CC[NH+]1CCCCC1 ZINC000422722012 405675968 /nfs/dbraw/zinc/67/59/68/405675968.db2.gz WPFLBWXFRNWBJB-GBESFXJTSA-N 2 3 323.525 2.389 20 0 DEADHP CCCC[C@H](CN)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423304594 405753558 /nfs/dbraw/zinc/75/35/58/405753558.db2.gz ZCJQDTKMHXAVGH-HFTRVMKXSA-N 2 3 303.450 2.349 20 0 DEADHP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cccc(OCCN(C)C)c1 ZINC000423492731 405824471 /nfs/dbraw/zinc/82/44/71/405824471.db2.gz OLGQKRBNIKHFFT-YQQAZPJKSA-N 2 3 305.466 2.405 20 0 DEADHP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(OCCN(C)C)c1 ZINC000423492732 405824523 /nfs/dbraw/zinc/82/45/23/405824523.db2.gz OLGQKRBNIKHFFT-ZMSDIMECSA-N 2 3 305.466 2.405 20 0 DEADHP NC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC3CC(C2)CC1C3 ZINC000647800002 407052934 /nfs/dbraw/zinc/05/29/34/407052934.db2.gz WVWLUWGIQJCWCB-SLUYAIMQSA-N 2 3 303.494 2.118 20 0 DEADHP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(OCCN(C)C)cc1 ZINC000650744536 425046747 /nfs/dbraw/zinc/04/67/47/425046747.db2.gz PKMKTECUVIAIOM-HNNXBMFYSA-N 2 3 305.466 2.407 20 0 DEADHP CC[NH+](CC)CCOCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925647248 693316067 /nfs/dbraw/zinc/31/60/67/693316067.db2.gz AZXPWTKKCYUAQU-MSOLQXFVSA-N 2 3 311.514 2.103 20 0 DEADHP CC(C)([NH3+])CCNCCC(C)(C)[NH2+]C1CCN(CC2CC2)CC1 ZINC001168366664 781254886 /nfs/dbraw/zinc/25/48/86/781254886.db2.gz XQZAOCYDGJAKQM-UHFFFAOYSA-N 2 3 324.557 2.336 20 0 DEADHP CC1(C)[C@H](NC2CC(C[NH3+])(c3ccccc3)C2)[C@@H]2CCC[NH2+][C@H]21 ZINC001550946328 1073969470 /nfs/dbraw/zinc/96/94/70/1073969470.db2.gz ZEPXLMRTBLAYDK-SYJBPTKTSA-N 2 3 313.489 2.412 20 0 DEADHP CC1(C)[C@@H]2NCCC[C@H]2[C@H]1[NH2+]C1CC(C[NH3+])(c2ccccc2)C1 ZINC001550946328 1073969473 /nfs/dbraw/zinc/96/94/73/1073969473.db2.gz ZEPXLMRTBLAYDK-SYJBPTKTSA-N 2 3 313.489 2.412 20 0 DEADHP CCCC[C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(C2)CC[NH2+]CC3)CCN1 ZINC001246127395 1140863534 /nfs/dbraw/zinc/86/35/34/1140863534.db2.gz PBYOHZNLWINDSU-BRWVUGGUSA-N 2 3 309.498 2.046 20 0 DEADHP CCCC[C@@H]1C[C@@H]([NH2+]CC[C@H]2C[NH2+]Cc3cccn3C2)CCN1 ZINC001246145056 1140866210 /nfs/dbraw/zinc/86/62/10/1140866210.db2.gz YPUHTBYBTYTYIP-KSZLIROESA-N 2 3 318.509 2.498 20 0 DEADHP COc1cccc(C2(C[NH2+][C@@H]3CCN[C@@H](C)C3)CC[NH2+]CC2)c1 ZINC001246392672 1140893165 /nfs/dbraw/zinc/89/31/65/1140893165.db2.gz QYVOXEKNCHWYJZ-DOTOQJQBSA-N 2 3 317.477 2.047 20 0 DEADHP COc1ccccc1C1(C[NH2+][C@@H]2CCCCNC2)CC[NH2+]CC1 ZINC001246413538 1140896077 /nfs/dbraw/zinc/89/60/77/1140896077.db2.gz DOXMONFKLLWYDH-MRXNPFEDSA-N 2 3 317.477 2.048 20 0 DEADHP Fc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246437575 1140898913 /nfs/dbraw/zinc/89/89/13/1140898913.db2.gz PZLWRWHULAFNCX-XYPWUTKMSA-N 2 3 317.452 2.320 20 0 DEADHP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3F)CC[NH2+]CC2)CCN1 ZINC001246438808 1140898926 /nfs/dbraw/zinc/89/89/26/1140898926.db2.gz TULWEJOVFGIDLN-GJZGRUSLSA-N 2 3 305.441 2.177 20 0 DEADHP C[C@H]1C[C@@H](NCC2(c3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246438808 1140898929 /nfs/dbraw/zinc/89/89/29/1140898929.db2.gz TULWEJOVFGIDLN-GJZGRUSLSA-N 2 3 305.441 2.177 20 0 DEADHP CCN1CCN(c2ccccc2C[NH2+][C@H](C)CCC[NH3+])CC1 ZINC000415025580 404790000 /nfs/dbraw/zinc/79/00/00/404790000.db2.gz RFYKTEDJDSRMCC-MRXNPFEDSA-N 2 3 304.482 2.046 20 0 DEADHP [NH3+]C[C@H](CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000424283492 405057693 /nfs/dbraw/zinc/05/76/93/405057693.db2.gz NEYLHKXVEFCZCO-IXDOHACOSA-N 2 3 305.441 2.190 20 0 DEADHP C[N@H+]1CC=C(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423010876 405694361 /nfs/dbraw/zinc/69/43/61/405694361.db2.gz AAYVHTFUVCXAIQ-IEBWSBKVSA-N 2 3 313.445 2.094 20 0 DEADHP C[N@@H+]1CC=C(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423010876 405694367 /nfs/dbraw/zinc/69/43/67/405694367.db2.gz AAYVHTFUVCXAIQ-IEBWSBKVSA-N 2 3 313.445 2.094 20 0 DEADHP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CNC1 ZINC000423005427 405696006 /nfs/dbraw/zinc/69/60/06/405696006.db2.gz SBWOPJGJOBUTOU-BQFCYCMXSA-N 2 3 301.478 2.485 20 0 DEADHP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CNC1 ZINC000423005427 405696008 /nfs/dbraw/zinc/69/60/08/405696008.db2.gz SBWOPJGJOBUTOU-BQFCYCMXSA-N 2 3 301.478 2.485 20 0 DEADHP c1cc(N2CCC(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)ccn1 ZINC000647793032 407051872 /nfs/dbraw/zinc/05/18/72/407051872.db2.gz IQLPSZXZLBWGOR-FGTMMUONSA-N 2 3 314.477 2.276 20 0 DEADHP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000647492262 407006847 /nfs/dbraw/zinc/00/68/47/407006847.db2.gz VUPSXPROPVYCLC-HNNXBMFYSA-N 2 3 305.466 2.186 20 0 DEADHP NC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC3CC(C2)CC1C3 ZINC000647800001 407052918 /nfs/dbraw/zinc/05/29/18/407052918.db2.gz WVWLUWGIQJCWCB-RCZHUYIZSA-N 2 3 303.494 2.118 20 0 DEADHP NC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C2CC3CC(C2)CC1C3 ZINC000647800003 407052976 /nfs/dbraw/zinc/05/29/76/407052976.db2.gz WVWLUWGIQJCWCB-XUWRZQFRSA-N 2 3 303.494 2.118 20 0 DEADHP CN(C)CCOc1ccc(CC[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422745066 230184953 /nfs/dbraw/zinc/18/49/53/230184953.db2.gz UMCMNGZMFBGGOF-UHFFFAOYSA-N 2 3 319.493 2.277 20 0 DEADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423100007 230349106 /nfs/dbraw/zinc/34/91/06/230349106.db2.gz GCWCDDQHRHOMBJ-HUUCEWRRSA-N 2 3 305.466 2.375 20 0 DEADHP [NH3+]Cc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000580075758 332930057 /nfs/dbraw/zinc/93/00/57/332930057.db2.gz YPXJNVPRGCXLGC-UYAOXDASSA-N 2 3 323.440 2.491 20 0 DEADHP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423081995 534073771 /nfs/dbraw/zinc/07/37/71/534073771.db2.gz CGHQDNZQXORUBY-NZSAHSFTSA-N 2 3 301.478 2.486 20 0 DEADHP CCC1(C[NH2+]C2CC3CCC(C2)[NH+]3CCOC)CCOCC1 ZINC000925196394 639565689 /nfs/dbraw/zinc/56/56/89/639565689.db2.gz FQPLQBYMTOVXMC-ALOPSCKCSA-N 2 3 310.482 2.425 20 0 DEADHP NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333490 643639405 /nfs/dbraw/zinc/63/94/05/643639405.db2.gz ARKKFEVNPZFSSO-INDMIFKZSA-N 2 3 301.478 2.396 20 0 DEADHP NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333490 643639411 /nfs/dbraw/zinc/63/94/11/643639411.db2.gz ARKKFEVNPZFSSO-INDMIFKZSA-N 2 3 301.478 2.396 20 0 DEADHP C[NH+](C)CC[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccnc1 ZINC000925828662 693348661 /nfs/dbraw/zinc/34/86/61/693348661.db2.gz YVKCYNVYHXPQHH-DDBAPUKQSA-N 2 3 302.466 2.052 20 0 DEADHP C[C@H]1CCN(Cc2cn3c4c2cccc4C[NH2+]CC3)C[C@H]1C[NH3+] ZINC001205314214 800341816 /nfs/dbraw/zinc/34/18/16/800341816.db2.gz ADHVWISSQXFPRV-GOEBONIOSA-N 2 3 312.461 2.161 20 0 DEADHP CC(C)C[N@H+](Cc1ccc2n1CCNC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552173 1138373702 /nfs/dbraw/zinc/37/37/02/1138373702.db2.gz URESUUYWPBYRJP-WKILWMFISA-N 2 3 304.482 2.319 20 0 DEADHP CC(C)C[N@@H+](Cc1ccc2n1CCNC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552173 1138373708 /nfs/dbraw/zinc/37/37/08/1138373708.db2.gz URESUUYWPBYRJP-WKILWMFISA-N 2 3 304.482 2.319 20 0 DEADHP COc1ccccc1CN(C[C@H]1CC[NH2+]C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700040 1138396908 /nfs/dbraw/zinc/39/69/08/1138396908.db2.gz GQYXZPIQZMIVEN-SZMVWBNQSA-N 2 3 317.477 2.377 20 0 DEADHP C[C@H]1C[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246376053 1140890314 /nfs/dbraw/zinc/89/03/14/1140890314.db2.gz KOZMJXURACNNSG-YJBOKZPZSA-N 2 3 319.468 2.468 20 0 DEADHP Fc1ccccc1CC1([NH2+][C@H]2C[C@H]3C[NH2+]C[C@H]3C2)CCNCC1 ZINC001246379737 1140891525 /nfs/dbraw/zinc/89/15/25/1140891525.db2.gz BSSDMMACXLLEAE-BJWYYQGGSA-N 2 3 317.452 2.078 20 0 DEADHP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3F)CC[NH2+]CC2)CCN1 ZINC001246438807 1140898768 /nfs/dbraw/zinc/89/87/68/1140898768.db2.gz TULWEJOVFGIDLN-CABCVRRESA-N 2 3 305.441 2.177 20 0 DEADHP C[C@@H]1C[C@@H](NCC2(c3ccccc3F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246438807 1140898769 /nfs/dbraw/zinc/89/87/69/1140898769.db2.gz TULWEJOVFGIDLN-CABCVRRESA-N 2 3 305.441 2.177 20 0 DEADHP c1ccc(C[C@@H]2C[C@H]([NH+]3CC4(C3)CCC[NH2+]CC4)CCN2)cc1 ZINC001246852436 1141087636 /nfs/dbraw/zinc/08/76/36/1141087636.db2.gz DQGMMIHVKWBDQP-RTBURBONSA-N 2 3 313.489 2.425 20 0 DEADHP CN(C)CCN([C@H]1CCC[NH2+]C1)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246992189 1141225629 /nfs/dbraw/zinc/22/56/29/1141225629.db2.gz YFVPUBCLPRVSQG-OALUTQOASA-N 2 3 322.541 2.009 20 0 DEADHP CN(C)CCN([C@H]1CCC[NH2+]C1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246992189 1141225653 /nfs/dbraw/zinc/22/56/53/1141225653.db2.gz YFVPUBCLPRVSQG-OALUTQOASA-N 2 3 322.541 2.009 20 0 DEADHP [NH3+]C[C@H](CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000424283493 405058021 /nfs/dbraw/zinc/05/80/21/405058021.db2.gz NEYLHKXVEFCZCO-YESZJQIVSA-N 2 3 305.441 2.190 20 0 DEADHP [NH3+][C@H]1CCC[C@H](NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000519779421 406252234 /nfs/dbraw/zinc/25/22/34/406252234.db2.gz RPWSEKAELPVCOQ-ROUUACIJSA-N 2 3 317.477 2.003 20 0 DEADHP NC[C@H]1CCCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422991624 230307754 /nfs/dbraw/zinc/30/77/54/230307754.db2.gz OYXUWQQDEKGNJM-SJLPKXTDSA-N 2 3 302.466 2.405 20 0 DEADHP C[C@H]1C[C@@H](C[NH2+]Cc2ccccc2OCCN(C)C)CC[NH2+]1 ZINC000415087495 424949916 /nfs/dbraw/zinc/94/99/16/424949916.db2.gz UTNADXGMUUPWSN-HOTGVXAUSA-N 2 3 305.466 2.105 20 0 DEADHP C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2OCCN(C)C)CC[NH2+]1 ZINC000415087497 424950223 /nfs/dbraw/zinc/95/02/23/424950223.db2.gz UTNADXGMUUPWSN-HZPDHXFCSA-N 2 3 305.466 2.105 20 0 DEADHP C[C@H](NCC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000665240829 425526939 /nfs/dbraw/zinc/52/69/39/425526939.db2.gz TXNMNRGLSVOPNY-YJBOKZPZSA-N 2 3 302.466 2.024 20 0 DEADHP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000420387354 295335023 /nfs/dbraw/zinc/33/50/23/295335023.db2.gz VTIGFGOPKMBASM-ZWKOTPCHSA-N 2 3 309.498 2.081 20 0 DEADHP [NH3+]Cc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000580075757 332929949 /nfs/dbraw/zinc/92/99/49/332929949.db2.gz YPXJNVPRGCXLGC-QUCCMNQESA-N 2 3 323.440 2.491 20 0 DEADHP CC[NH+](CC)CCOCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423029934 528143331 /nfs/dbraw/zinc/14/33/31/528143331.db2.gz ATKGCVCNZAPKAB-KZNAEPCWSA-N 2 3 311.514 2.245 20 0 DEADHP CC[C@@H](NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422998624 529158952 /nfs/dbraw/zinc/15/89/52/529158952.db2.gz WMFDWRMPZKTSOI-MSOLQXFVSA-N 2 3 302.466 2.418 20 0 DEADHP COc1ccc([C@H](CN)C[NH+]2CCC(C(C)(C)C[NH3+])CC2)cc1 ZINC000903791343 643456387 /nfs/dbraw/zinc/45/63/87/643456387.db2.gz UKTULEZIXHKZII-MRXNPFEDSA-N 2 3 319.493 2.434 20 0 DEADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C[C@@H](C)O1 ZINC000925569708 693299248 /nfs/dbraw/zinc/29/92/48/693299248.db2.gz SKEFTIKPIKJHBH-QBPKDAKJSA-N 2 3 311.514 2.371 20 0 DEADHP C[NH+]1CCC(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC001647477736 1074937034 /nfs/dbraw/zinc/93/70/34/1074937034.db2.gz SMJNOKQELKBKTG-FQEVSTJZSA-N 2 3 315.505 2.482 20 0 DEADHP [NH3+][C@@H]1CCC12CCN(Cc1cn3c4c1cccc4C[NH2+]CC3)CC2 ZINC001237358374 1138591483 /nfs/dbraw/zinc/59/14/83/1138591483.db2.gz HDKWTZRGKSTSKK-GOSISDBHSA-N 2 3 324.472 2.448 20 0 DEADHP CCCC[C@@H]1C[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001246134785 1140865196 /nfs/dbraw/zinc/86/51/96/1140865196.db2.gz OALIEBFRAWXKBL-BRWVUGGUSA-N 2 3 309.498 2.188 20 0 DEADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[C@@H]2C[NH2+]Cc3cccn3C2)CCN1 ZINC001246138534 1140865496 /nfs/dbraw/zinc/86/54/96/1140865496.db2.gz JKCKMBDJMYVPCO-RYRKJORJSA-N 2 3 318.509 2.354 20 0 DEADHP CCCC[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC23CC[NH2+]CC3)CCN1 ZINC001246143176 1140866121 /nfs/dbraw/zinc/86/61/21/1140866121.db2.gz UJOAUCOAOVGJLM-KURKYZTESA-N 2 3 323.525 2.436 20 0 DEADHP CCCC[C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CC[NH2+]CC3)C2)CCN1 ZINC001246252387 1140878153 /nfs/dbraw/zinc/87/81/53/1140878153.db2.gz ANJCJIRDMBYMPM-BRWVUGGUSA-N 2 3 309.498 2.188 20 0 DEADHP C[C@H]1CC([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246421216 1140896548 /nfs/dbraw/zinc/89/65/48/1140896548.db2.gz MQSFHALHGFIJDZ-HOTGVXAUSA-N 2 3 316.493 2.113 20 0 DEADHP CN(c1ccccc1C[NH2+]CCCC[NH3+])C1CCN(C)CC1 ZINC000414913025 404764932 /nfs/dbraw/zinc/76/49/32/404764932.db2.gz VNJXQVNMPGDAII-UHFFFAOYSA-N 2 3 304.482 2.046 20 0 DEADHP C[C@@H]1CN(CCC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000420323702 405319564 /nfs/dbraw/zinc/31/95/64/405319564.db2.gz UNQOQSCTERYZHC-ZIFCJYIRSA-N 2 3 323.525 2.197 20 0 DEADHP C[C@@H](C[C@@H]1CCCCC[NH2+]1)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008000 406397621 /nfs/dbraw/zinc/39/76/21/406397621.db2.gz CHLNDIDCUHDSQJ-HOTGVXAUSA-N 2 3 317.481 2.214 20 0 DEADHP c1cc(N2CCC(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)ccn1 ZINC000647793034 407051958 /nfs/dbraw/zinc/05/19/58/407051958.db2.gz IQLPSZXZLBWGOR-OKZBNKHCSA-N 2 3 314.477 2.276 20 0 DEADHP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000422832284 230231938 /nfs/dbraw/zinc/23/19/38/230231938.db2.gz FMSBQFCIMCBHQH-INIZCTEOSA-N 2 3 319.493 2.250 20 0 DEADHP CN(C)CCOc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422896882 230268321 /nfs/dbraw/zinc/26/83/21/230268321.db2.gz IXZNLORBRCKEGL-UHFFFAOYSA-N 2 3 305.466 2.234 20 0 DEADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422915259 230276668 /nfs/dbraw/zinc/27/66/68/230276668.db2.gz XUQDDSZQWGVKFU-JKSUJKDBSA-N 2 3 305.466 2.377 20 0 DEADHP CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3c2CC[NH2+]C3)[C@H](C)C1 ZINC000662262364 425607066 /nfs/dbraw/zinc/60/70/66/425607066.db2.gz GNGVUKCULQXTHL-DNVCBOLYSA-N 2 3 301.478 2.494 20 0 DEADHP CC[N@H+]1CC[C@@H](N(C)Cc2cccc3c2CC[NH2+]C3)[C@H](C)C1 ZINC000662262364 425607068 /nfs/dbraw/zinc/60/70/68/425607068.db2.gz GNGVUKCULQXTHL-DNVCBOLYSA-N 2 3 301.478 2.494 20 0 DEADHP CC(C)N1CCN(CCC[NH+]2CCC(C(C)(C)C[NH3+])CC2)CC1 ZINC000903790895 643456702 /nfs/dbraw/zinc/45/67/02/643456702.db2.gz FYSYUKWQZHNQCJ-UHFFFAOYSA-N 2 3 324.557 2.099 20 0 DEADHP [NH3+]CC1(c2ccccc2)CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903791433 643457240 /nfs/dbraw/zinc/45/72/40/643457240.db2.gz XLLXAXRVYREUTH-KRWDZBQOSA-N 2 3 301.478 2.369 20 0 DEADHP C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1ccncc1 ZINC000903937587 643515664 /nfs/dbraw/zinc/51/56/64/643515664.db2.gz NTXZVMHPRQEWPL-MGNMYUMUSA-N 2 3 300.450 2.123 20 0 DEADHP C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1ccncc1 ZINC000903937587 643515669 /nfs/dbraw/zinc/51/56/69/643515669.db2.gz NTXZVMHPRQEWPL-MGNMYUMUSA-N 2 3 300.450 2.123 20 0 DEADHP CC(C)(C)CC[C@H](N)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000904374192 643649697 /nfs/dbraw/zinc/64/96/97/643649697.db2.gz OWIVTORPRCOHPC-QAETUUGQSA-N 2 3 311.514 2.358 20 0 DEADHP CC(C)(C)CC[C@H](N)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000904374192 643649700 /nfs/dbraw/zinc/64/97/00/643649700.db2.gz OWIVTORPRCOHPC-QAETUUGQSA-N 2 3 311.514 2.358 20 0 DEADHP CC[N@H+](CCCN(C)C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138771790 796272138 /nfs/dbraw/zinc/27/21/38/796272138.db2.gz CYGYIALLCHTYEP-UHFFFAOYSA-N 2 3 307.482 2.401 20 0 DEADHP CC[N@@H+](CCCN(C)C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138771790 796272140 /nfs/dbraw/zinc/27/21/40/796272140.db2.gz CYGYIALLCHTYEP-UHFFFAOYSA-N 2 3 307.482 2.401 20 0 DEADHP C[C@H]1C[NH2+]CCC[C@H]1CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001155034986 797665485 /nfs/dbraw/zinc/66/54/85/797665485.db2.gz ZSDQDWBHODKCQZ-GJZGRUSLSA-N 2 3 317.481 2.057 20 0 DEADHP [NH3+]Cc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)c1 ZINC001222610003 802716945 /nfs/dbraw/zinc/71/69/45/802716945.db2.gz URIZQLGYIMMEEA-IBGZPJMESA-N 2 3 307.441 2.334 20 0 DEADHP [NH3+]Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3)C3(CNC3)C2)c1 ZINC001222610003 802716949 /nfs/dbraw/zinc/71/69/49/802716949.db2.gz URIZQLGYIMMEEA-IBGZPJMESA-N 2 3 307.441 2.334 20 0 DEADHP C[C@H]1C[C@H](C[NH2+]CC2CCN(Cc3ccncc3)CC2)CC[NH2+]1 ZINC001576598807 1066641802 /nfs/dbraw/zinc/64/18/02/1066641802.db2.gz PHZZOIUEOOKHMD-QFBILLFUSA-N 2 3 316.493 2.271 20 0 DEADHP C[N@@H+]1CCC[C@H](CCN[C@H]2C[NH2+]CC[C@H]2c2ccccc2)C1 ZINC001578529528 1067126796 /nfs/dbraw/zinc/12/67/96/1067126796.db2.gz XPJKGEJVNIOGRI-NEWSRXKRSA-N 2 3 301.478 2.454 20 0 DEADHP C[N@H+]1CCC[C@H](CCN[C@H]2C[NH2+]CC[C@H]2c2ccccc2)C1 ZINC001578529528 1067126798 /nfs/dbraw/zinc/12/67/98/1067126798.db2.gz XPJKGEJVNIOGRI-NEWSRXKRSA-N 2 3 301.478 2.454 20 0 DEADHP [NH3+]C12CC(C[N@@H+]3CC[C@]4(c5ccccc5)CCNC[C@@H]4C3)(C1)C2 ZINC001235361337 1084407350 /nfs/dbraw/zinc/40/73/50/1084407350.db2.gz FFYFKKJCCSCVQX-OAHAVBBTSA-N 2 3 311.473 2.121 20 0 DEADHP [NH3+]C12CC(C[N@H+]3CC[C@]4(c5ccccc5)CCNC[C@@H]4C3)(C1)C2 ZINC001235361337 1084407358 /nfs/dbraw/zinc/40/73/58/1084407358.db2.gz FFYFKKJCCSCVQX-OAHAVBBTSA-N 2 3 311.473 2.121 20 0 DEADHP C[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@@H]1CCCC[C@@H]1N ZINC001236215052 1138340490 /nfs/dbraw/zinc/34/04/90/1138340490.db2.gz HBFXNIHNIMEDBN-ZWKOTPCHSA-N 2 3 312.461 2.446 20 0 DEADHP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@@H]1CCCC[C@@H]1N ZINC001236215052 1138340496 /nfs/dbraw/zinc/34/04/96/1138340496.db2.gz HBFXNIHNIMEDBN-ZWKOTPCHSA-N 2 3 312.461 2.446 20 0 DEADHP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@@H]2CCCCN2)C2CCOCC2)CC1 ZINC001236551331 1138373836 /nfs/dbraw/zinc/37/38/36/1138373836.db2.gz CZPJECMVHRSQGJ-ULQDDVLXSA-N 2 3 309.498 2.270 20 0 DEADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@@H]2CCCCN2)C2CCOCC2)CC1 ZINC001236551331 1138373843 /nfs/dbraw/zinc/37/38/43/1138373843.db2.gz CZPJECMVHRSQGJ-ULQDDVLXSA-N 2 3 309.498 2.270 20 0 DEADHP CCCC[C@@H]1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001246134787 1140864667 /nfs/dbraw/zinc/86/46/67/1140864667.db2.gz OALIEBFRAWXKBL-IXDOHACOSA-N 2 3 309.498 2.188 20 0 DEADHP COc1ccccc1C1([NH2+][C@H]2CCC3(C[NH2+]C3)C2)CCNCC1 ZINC001246375080 1140890399 /nfs/dbraw/zinc/89/03/99/1140890399.db2.gz HERSCAOJMCXFHR-HNNXBMFYSA-N 2 3 315.461 2.006 20 0 DEADHP CC1(C)C[C@@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CCN1 ZINC001246377008 1140891103 /nfs/dbraw/zinc/89/11/03/1140891103.db2.gz XVGAQBZPSNXXOW-KRWDZBQOSA-N 2 3 301.478 2.428 20 0 DEADHP C[C@@H]1C[C@H]([NH2+]CC2(c3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246389243 1140893236 /nfs/dbraw/zinc/89/32/36/1140893236.db2.gz PTFWJOVOCMLWLG-RHSMWYFYSA-N 2 3 305.441 2.177 20 0 DEADHP C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3F)CC[NH2+]CC2)CCN1 ZINC001246436407 1140898120 /nfs/dbraw/zinc/89/81/20/1140898120.db2.gz XTIYXOQJYXHCNA-NVXWUHKLSA-N 2 3 319.468 2.468 20 0 DEADHP [NH3+]CCCC[NH2+]CCCN[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001246458053 1140906639 /nfs/dbraw/zinc/90/66/39/1140906639.db2.gz RRVXAQZLXSHEIN-OAHLLOKOSA-N 2 3 311.420 2.130 20 0 DEADHP CC[NH+](CC)CCC[C@H](C)[NH2+]CCN1CCN(C(C)C)CC1 ZINC001258899558 1144052150 /nfs/dbraw/zinc/05/21/50/1144052150.db2.gz BSOQDUDMEVKTOP-SFHVURJKSA-N 2 3 312.546 2.113 20 0 DEADHP CC[NH+]1CCC(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000315002612 404003873 /nfs/dbraw/zinc/00/38/73/404003873.db2.gz SXCLEBLJPMOVEK-UHFFFAOYSA-N 2 3 302.466 2.372 20 0 DEADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CC1 ZINC000422831881 405686967 /nfs/dbraw/zinc/68/69/67/405686967.db2.gz FKTLLNSUACBBAI-RYQLBKOJSA-N 2 3 311.514 2.086 20 0 DEADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422854362 405687260 /nfs/dbraw/zinc/68/72/60/405687260.db2.gz UDOYMRFSVJNFLX-XMTFNYHQSA-N 2 3 311.514 2.244 20 0 DEADHP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(OCCN(C)C)cc1 ZINC000423493939 405826556 /nfs/dbraw/zinc/82/65/56/405826556.db2.gz RKENPRBPVBOKHL-ZMSDIMECSA-N 2 3 305.466 2.405 20 0 DEADHP CN(C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647550514 407019333 /nfs/dbraw/zinc/01/93/33/407019333.db2.gz VKOIFMYPTJYTBV-BPQIPLTHSA-N 2 3 317.477 2.105 20 0 DEADHP CN(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647789467 407051263 /nfs/dbraw/zinc/05/12/63/407051263.db2.gz GCMYUFKYPJHJTG-KZNAEPCWSA-N 2 3 317.477 2.105 20 0 DEADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876608 230254334 /nfs/dbraw/zinc/25/43/34/230254334.db2.gz GMUPQDJONNOXLZ-FLXSYLCISA-N 2 3 311.514 2.086 20 0 DEADHP C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876608 230254340 /nfs/dbraw/zinc/25/43/40/230254340.db2.gz GMUPQDJONNOXLZ-FLXSYLCISA-N 2 3 311.514 2.086 20 0 DEADHP CN(C)CCOc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1 ZINC000666839607 425195032 /nfs/dbraw/zinc/19/50/32/425195032.db2.gz GWMLALSUPMHASJ-UHFFFAOYSA-N 2 3 305.466 2.106 20 0 DEADHP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000580301626 333079898 /nfs/dbraw/zinc/07/98/98/333079898.db2.gz CZUVATWVUGSTSA-XPYUAMARSA-N 2 3 315.461 2.349 20 0 DEADHP CC(C)(C)CC[C@H](N)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000904374191 643649521 /nfs/dbraw/zinc/64/95/21/643649521.db2.gz OWIVTORPRCOHPC-LUKYLMHMSA-N 2 3 311.514 2.358 20 0 DEADHP CC(C)(C)CC[C@H](N)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000904374191 643649524 /nfs/dbraw/zinc/64/95/24/643649524.db2.gz OWIVTORPRCOHPC-LUKYLMHMSA-N 2 3 311.514 2.358 20 0 DEADHP CC(C)CCN1CCC([NH2+]CCN2CCC([NH+](C)C)CC2)CC1 ZINC000925215869 693242092 /nfs/dbraw/zinc/24/20/92/693242092.db2.gz PSLNERUUFPCVHO-UHFFFAOYSA-N 2 3 324.557 2.113 20 0 DEADHP C1[NH2+][C@H]2[C@H](NC3CCC([NH+]4CCCCC4)CC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000925543079 693293631 /nfs/dbraw/zinc/29/36/31/693293631.db2.gz QFESFEXKRYOAFU-KAYAHXBPSA-N 2 3 303.494 2.370 20 0 DEADHP C1[NH2+][C@@H]2[C@H](NC3CCC([NH+]4CCCCC4)CC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000925543080 693293688 /nfs/dbraw/zinc/29/36/88/693293688.db2.gz QFESFEXKRYOAFU-NHXBNOBNSA-N 2 3 303.494 2.370 20 0 DEADHP C[NH+](C)C1CCC([NH2+]C2CCN(CC3CCOCC3)CC2)CC1 ZINC001168305148 780818234 /nfs/dbraw/zinc/81/82/34/780818234.db2.gz JFCJJARFAVFLDZ-UHFFFAOYSA-N 2 3 323.525 2.340 20 0 DEADHP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235812470 1084535341 /nfs/dbraw/zinc/53/53/41/1084535341.db2.gz WVAAUVXRQVIJCF-BJWYYQGGSA-N 2 3 310.445 2.199 20 0 DEADHP FC(F)(F)[C@@]1(CN[C@H]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]C1 ZINC001246115739 1091700297 /nfs/dbraw/zinc/70/02/97/1091700297.db2.gz SPKISEWKAQZTQB-JSGCOSHPSA-N 2 3 305.388 2.040 20 0 DEADHP [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C[C@H]2CCC[NH2+]C2)CC1 ZINC001236560949 1138375732 /nfs/dbraw/zinc/37/57/32/1138375732.db2.gz JUPWHCNULVENEX-BZSNNMDCSA-N 2 3 302.466 2.153 20 0 DEADHP CC(C)(C)[C@@H]1C[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001246130264 1140864180 /nfs/dbraw/zinc/86/41/80/1140864180.db2.gz GIGALUMRSLEDDI-OAGGEKHMSA-N 2 3 309.498 2.044 20 0 DEADHP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CC[NH2+]CC2)CCN1 ZINC001246211188 1140873747 /nfs/dbraw/zinc/87/37/47/1140873747.db2.gz MKIQGLFVWAPUJK-YOEHRIQHSA-N 2 3 305.441 2.177 20 0 DEADHP c1cncc([C@@H]2NCC[C@@H]2C[NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001246340679 1140886138 /nfs/dbraw/zinc/88/61/38/1140886138.db2.gz MQIARUYFXRHDDP-SQNIBIBYSA-N 2 3 314.477 2.244 20 0 DEADHP C[C@H]1CC([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246373368 1140889882 /nfs/dbraw/zinc/88/98/82/1140889882.db2.gz HGHLPNBOPPNKQN-HOTGVXAUSA-N 2 3 301.478 2.426 20 0 DEADHP CCCC[C@@H]1C[C@H]([NH2+]CC2(CCOC)CC[NH2+]CC2)CCN1 ZINC001246372600 1140890038 /nfs/dbraw/zinc/89/00/38/1140890038.db2.gz SXBNNIWBOHCWFX-IAGOWNOFSA-N 2 3 311.514 2.293 20 0 DEADHP Fc1ccccc1CC1([NH2+][C@H]2CCC3(C[NH2+]C3)C2)CCNCC1 ZINC001246381292 1140891547 /nfs/dbraw/zinc/89/15/47/1140891547.db2.gz ONLGGNWOVBFHSY-INIZCTEOSA-N 2 3 317.452 2.222 20 0 DEADHP Fc1ccccc1C1(C[NH2+][C@H]2CCCCNC2)CC[NH2+]CC1 ZINC001246438818 1140899052 /nfs/dbraw/zinc/89/90/52/1140899052.db2.gz UAQAXQVIXKYHSJ-HNNXBMFYSA-N 2 3 305.441 2.179 20 0 DEADHP NC1([C@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]2CF)CC1 ZINC001246687745 1141034391 /nfs/dbraw/zinc/03/43/91/1141034391.db2.gz FPROZTFRWKKVDO-HOCLYGCPSA-N 2 3 309.473 2.308 20 0 DEADHP NC1([C@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]2CF)CC1 ZINC001246687745 1141034398 /nfs/dbraw/zinc/03/43/98/1141034398.db2.gz FPROZTFRWKKVDO-HOCLYGCPSA-N 2 3 309.473 2.308 20 0 DEADHP C[N@H+](CC1CC[NH2+]CC1)CC1CCN(c2ccncc2)CC1 ZINC000346990713 146175879 /nfs/dbraw/zinc/17/58/79/146175879.db2.gz SMYXEDMIOTZPSQ-UHFFFAOYSA-N 2 3 302.466 2.229 20 0 DEADHP C[N@@H+](CC1CC[NH2+]CC1)CC1CCN(c2ccncc2)CC1 ZINC000346990713 146175881 /nfs/dbraw/zinc/17/58/81/146175881.db2.gz SMYXEDMIOTZPSQ-UHFFFAOYSA-N 2 3 302.466 2.229 20 0 DEADHP C[C@@H]1C[C@@H](C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000414692146 404709842 /nfs/dbraw/zinc/70/98/42/404709842.db2.gz PVQCPZCQVISACR-VXNCWWDNSA-N 2 3 323.525 2.196 20 0 DEADHP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(OCCN(C)C)cc1 ZINC000650744537 425046432 /nfs/dbraw/zinc/04/64/32/425046432.db2.gz PKMKTECUVIAIOM-OAHLLOKOSA-N 2 3 305.466 2.407 20 0 DEADHP C[C@@H](CN(C)CCC[NH+](C)C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000658110641 425441262 /nfs/dbraw/zinc/44/12/62/425441262.db2.gz ZZBVTRIFXGUCCA-INIZCTEOSA-N 2 3 312.546 2.111 20 0 DEADHP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000658110641 425441266 /nfs/dbraw/zinc/44/12/66/425441266.db2.gz ZZBVTRIFXGUCCA-INIZCTEOSA-N 2 3 312.546 2.111 20 0 DEADHP CC[N@@H+]1CC[C@H](N(C)Cc2cccc3c2CC[NH2+]C3)[C@H](C)C1 ZINC000662262363 425605778 /nfs/dbraw/zinc/60/57/78/425605778.db2.gz GNGVUKCULQXTHL-BEFAXECRSA-N 2 3 301.478 2.494 20 0 DEADHP CC[N@H+]1CC[C@H](N(C)Cc2cccc3c2CC[NH2+]C3)[C@H](C)C1 ZINC000662262363 425605781 /nfs/dbraw/zinc/60/57/81/425605781.db2.gz GNGVUKCULQXTHL-BEFAXECRSA-N 2 3 301.478 2.494 20 0 DEADHP c1ccc(C[NH+]2CCC(C[NH2+]C[C@H]3CCCNC3)CC2)cc1 ZINC000397648026 269106538 /nfs/dbraw/zinc/10/65/38/269106538.db2.gz VRINTQIZDGUVFP-IBGZPJMESA-N 2 3 301.478 2.488 20 0 DEADHP C[NH+](C)[C@H]1CCCN(CCCN2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000365403432 289373786 /nfs/dbraw/zinc/37/37/86/289373786.db2.gz DZSQUPROJNAZKH-OALUTQOASA-N 2 3 324.557 2.209 20 0 DEADHP COCC[N@H+](C)CCCC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000340710585 536778133 /nfs/dbraw/zinc/77/81/33/536778133.db2.gz MUAPHVUAODTJSM-GOSISDBHSA-N 2 3 311.514 2.056 20 0 DEADHP COCC[N@@H+](C)CCCC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000340710585 536778141 /nfs/dbraw/zinc/77/81/41/536778141.db2.gz MUAPHVUAODTJSM-GOSISDBHSA-N 2 3 311.514 2.056 20 0 DEADHP c1ccc(CN2CC[C@H]3C[N@@H+](C[C@@H]4CCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000381967095 685403086 /nfs/dbraw/zinc/40/30/86/685403086.db2.gz IUQHDIXILGHRMR-HSALFYBXSA-N 2 3 313.489 2.440 20 0 DEADHP c1ccc(CN2CC[C@H]3C[N@H+](C[C@@H]4CCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000381967095 685403093 /nfs/dbraw/zinc/40/30/93/685403093.db2.gz IUQHDIXILGHRMR-HSALFYBXSA-N 2 3 313.489 2.440 20 0 DEADHP C[NH+](C)CC[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccnc1 ZINC000925828665 693349214 /nfs/dbraw/zinc/34/92/14/693349214.db2.gz YVKCYNVYHXPQHH-OWLYRPNTSA-N 2 3 302.466 2.052 20 0 DEADHP CC[NH+](CC)CCC[C@H](C)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001167838968 778698240 /nfs/dbraw/zinc/69/82/40/778698240.db2.gz XGPLCPQRVNFOIW-IBGZPJMESA-N 2 3 324.557 2.210 20 0 DEADHP [NH3+]CCCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235368959 1084411382 /nfs/dbraw/zinc/41/13/82/1084411382.db2.gz XMVKHDDRPMGRFI-RTBURBONSA-N 2 3 301.478 2.369 20 0 DEADHP [NH3+]CCCCC[N@H+]1CC[C@@]2(c3ccccc3)CCNC[C@@H]2C1 ZINC001235368959 1084411387 /nfs/dbraw/zinc/41/13/87/1084411387.db2.gz XMVKHDDRPMGRFI-RTBURBONSA-N 2 3 301.478 2.369 20 0 DEADHP Cc1ccc(F)cc1C[N@H+](C[C@H]1[C@@H]2C[NH2+]C[C@H]12)C1CCNCC1 ZINC001236510055 1138369329 /nfs/dbraw/zinc/36/93/29/1138369329.db2.gz XBSCAPNDVIAOEB-BWTSREIZSA-N 2 3 317.452 2.154 20 0 DEADHP Cc1ccc(F)cc1C[N@@H+](C[C@H]1[C@@H]2C[NH2+]C[C@H]12)C1CCNCC1 ZINC001236510055 1138369333 /nfs/dbraw/zinc/36/93/33/1138369333.db2.gz XBSCAPNDVIAOEB-BWTSREIZSA-N 2 3 317.452 2.154 20 0 DEADHP Cc1ccc(F)cc1CN(C[C@H]1[C@@H]2C[NH2+]C[C@H]12)C1CC[NH2+]CC1 ZINC001236510055 1138369337 /nfs/dbraw/zinc/36/93/37/1138369337.db2.gz XBSCAPNDVIAOEB-BWTSREIZSA-N 2 3 317.452 2.154 20 0 DEADHP CCCC[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[NH2+]Cc3cccn3C2)CCN1 ZINC001246145070 1140866167 /nfs/dbraw/zinc/86/61/67/1140866167.db2.gz YPUHTBYBTYTYIP-KZNAEPCWSA-N 2 3 318.509 2.498 20 0 DEADHP COc1cccc(C2(C[NH2+][C@@H]3CCN[C@H](C)C3)CC[NH2+]CC2)c1 ZINC001246392677 1140892727 /nfs/dbraw/zinc/89/27/27/1140892727.db2.gz QYVOXEKNCHWYJZ-NVXWUHKLSA-N 2 3 317.477 2.047 20 0 DEADHP CC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246423358 1140897057 /nfs/dbraw/zinc/89/70/57/1140897057.db2.gz ZNLJKPFWHQCGDJ-IAGOWNOFSA-N 2 3 316.493 2.114 20 0 DEADHP C[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3)CC[NH2+]CC2)CCN1 ZINC001246432625 1140897733 /nfs/dbraw/zinc/89/77/33/1140897733.db2.gz CVHDBBOSVYETST-FUHWJXTLSA-N 2 3 301.478 2.329 20 0 DEADHP C[C@@H]1C[C@H]([N@H+]([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CCN1 ZINC001246705686 1141040955 /nfs/dbraw/zinc/04/09/55/1141040955.db2.gz AXYXFWYURXDARZ-BZUAXINKSA-N 2 3 309.498 2.139 20 0 DEADHP C[C@@H]1C[C@H]([N@@H+]([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CCN1 ZINC001246705686 1141040965 /nfs/dbraw/zinc/04/09/65/1141040965.db2.gz AXYXFWYURXDARZ-BZUAXINKSA-N 2 3 309.498 2.139 20 0 DEADHP CC(C)(C)C[NH+]1CCC(CNC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253410365 1142870214 /nfs/dbraw/zinc/87/02/14/1142870214.db2.gz HSKROHFTFWZVIA-INIZCTEOSA-N 2 3 313.530 2.083 20 0 DEADHP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CNC1 ZINC000423005429 405695331 /nfs/dbraw/zinc/69/53/31/405695331.db2.gz SBWOPJGJOBUTOU-SOLBZPMBSA-N 2 3 301.478 2.485 20 0 DEADHP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CNC1 ZINC000423005429 405695339 /nfs/dbraw/zinc/69/53/39/405695339.db2.gz SBWOPJGJOBUTOU-SOLBZPMBSA-N 2 3 301.478 2.485 20 0 DEADHP c1ccc(CN2C[C@@H]3[C@H]([NH2+]CC4=CC[NH2+]CC4)CC[C@@H]3C2)cc1 ZINC000423348190 405770563 /nfs/dbraw/zinc/77/05/63/405770563.db2.gz SEQBTXAKQMOOSH-HSALFYBXSA-N 2 3 311.473 2.406 20 0 DEADHP c1ccc(C[N@@H+]2C[C@@H]3[C@H](NCC4=CC[NH2+]CC4)CC[C@@H]3C2)cc1 ZINC000423348190 405770569 /nfs/dbraw/zinc/77/05/69/405770569.db2.gz SEQBTXAKQMOOSH-HSALFYBXSA-N 2 3 311.473 2.406 20 0 DEADHP c1ccc(C[N@H+]2C[C@@H]3[C@H](NCC4=CC[NH2+]CC4)CC[C@@H]3C2)cc1 ZINC000423348190 405770577 /nfs/dbraw/zinc/77/05/77/405770577.db2.gz SEQBTXAKQMOOSH-HSALFYBXSA-N 2 3 311.473 2.406 20 0 DEADHP C[C@@H](C[C@H]1CCCCC[NH2+]1)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008002 406397098 /nfs/dbraw/zinc/39/70/98/406397098.db2.gz CHLNDIDCUHDSQJ-JKSUJKDBSA-N 2 3 317.481 2.214 20 0 DEADHP CCC[NH+]1CCN(c2ccccc2CN[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000647552196 407019785 /nfs/dbraw/zinc/01/97/85/407019785.db2.gz MCZVFLRKGCSJAF-IRXDYDNUSA-N 2 3 318.509 2.434 20 0 DEADHP c1cc(N2CCC(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)ccn1 ZINC000647793035 407051947 /nfs/dbraw/zinc/05/19/47/407051947.db2.gz IQLPSZXZLBWGOR-RCCFBDPRSA-N 2 3 314.477 2.276 20 0 DEADHP C([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000657537292 425358392 /nfs/dbraw/zinc/35/83/92/425358392.db2.gz GXACUVHCLBVIGG-PKOBYXMFSA-N 2 3 321.509 2.094 20 0 DEADHP CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC000662317582 425622273 /nfs/dbraw/zinc/62/22/73/425622273.db2.gz SBQIRAOCWPHENU-RTBURBONSA-N 2 3 324.557 2.242 20 0 DEADHP CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC000662317582 425622274 /nfs/dbraw/zinc/62/22/74/425622274.db2.gz SBQIRAOCWPHENU-RTBURBONSA-N 2 3 324.557 2.242 20 0 DEADHP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000422741545 289171688 /nfs/dbraw/zinc/17/16/88/289171688.db2.gz OUBSEXQONZERPC-HKUYNNGSSA-N 2 3 319.493 2.277 20 0 DEADHP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000580301625 333079948 /nfs/dbraw/zinc/07/99/48/333079948.db2.gz CZUVATWVUGSTSA-RMRDIRSESA-N 2 3 315.461 2.349 20 0 DEADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422854361 528037793 /nfs/dbraw/zinc/03/77/93/528037793.db2.gz UDOYMRFSVJNFLX-VSZNYVQBSA-N 2 3 311.514 2.244 20 0 DEADHP CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)CCC[NH3+])CC1 ZINC000422896668 529149747 /nfs/dbraw/zinc/14/97/47/529149747.db2.gz YNUUKHMOUQQJHH-QGZVFWFLSA-N 2 3 318.509 2.041 20 0 DEADHP c1ccc(CN(CC2CC[NH2+]CC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000261732100 636284489 /nfs/dbraw/zinc/28/44/89/636284489.db2.gz MADJESBETDQIJE-GOSISDBHSA-N 2 3 302.466 2.025 20 0 DEADHP CC(C)([NH3+])CCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000903941281 643523373 /nfs/dbraw/zinc/52/33/73/643523373.db2.gz WAAKNCHTEZZIKL-UHFFFAOYSA-N 2 3 305.466 2.378 20 0 DEADHP CC[NH+]1CCC(C[NH+]2CCC(N3CCC(OC)CC3)CC2)CC1 ZINC001208602350 801024916 /nfs/dbraw/zinc/02/49/16/801024916.db2.gz CQOCVTFIWFXPNF-UHFFFAOYSA-N 2 3 323.525 2.294 20 0 DEADHP C1CC2(C[C@H]1[NH2+]C1CCC(N3CCOCC3)CC1)CC[NH2+]CC2 ZINC001246127483 1140863709 /nfs/dbraw/zinc/86/37/09/1140863709.db2.gz HXVTZZONNMMYAB-ADKAHSJRSA-N 2 3 321.509 2.142 20 0 DEADHP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CC[NH2+]CC2)CCN1 ZINC001246211184 1140873969 /nfs/dbraw/zinc/87/39/69/1140873969.db2.gz MKIQGLFVWAPUJK-RHSMWYFYSA-N 2 3 305.441 2.177 20 0 DEADHP C[NH2+]C1CCC([NH2+]C2(c3ccccc3OC)CCNCC2)CC1 ZINC001246376150 1140890108 /nfs/dbraw/zinc/89/01/08/1140890108.db2.gz MERPVKWHQSZIIB-UHFFFAOYSA-N 2 3 317.477 2.394 20 0 DEADHP C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3)CC[NH2+]CC2)CCN1 ZINC001246432627 1140897673 /nfs/dbraw/zinc/89/76/73/1140897673.db2.gz CVHDBBOSVYETST-SJLPKXTDSA-N 2 3 301.478 2.329 20 0 DEADHP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OCCN(C)C)cc1 ZINC000423240704 405734171 /nfs/dbraw/zinc/73/41/71/405734171.db2.gz CQTRSMGLXWRKKS-CVEARBPZSA-N 2 3 305.466 2.277 20 0 DEADHP c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CC4=CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423348191 405770516 /nfs/dbraw/zinc/77/05/16/405770516.db2.gz SEQBTXAKQMOOSH-SLFFLAALSA-N 2 3 311.473 2.406 20 0 DEADHP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCC4=CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423348191 405770521 /nfs/dbraw/zinc/77/05/21/405770521.db2.gz SEQBTXAKQMOOSH-SLFFLAALSA-N 2 3 311.473 2.406 20 0 DEADHP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCC4=CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423348191 405770528 /nfs/dbraw/zinc/77/05/28/405770528.db2.gz SEQBTXAKQMOOSH-SLFFLAALSA-N 2 3 311.473 2.406 20 0 DEADHP C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000647509016 407009383 /nfs/dbraw/zinc/00/93/83/407009383.db2.gz FTBWUSYQAIXWAR-WMZOPIPTSA-N 2 3 317.477 2.330 20 0 DEADHP C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2OCCN(C)C)CC[NH2+]1 ZINC000415087493 424949802 /nfs/dbraw/zinc/94/98/02/424949802.db2.gz UTNADXGMUUPWSN-CVEARBPZSA-N 2 3 305.466 2.105 20 0 DEADHP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000580301623 333080040 /nfs/dbraw/zinc/08/00/40/333080040.db2.gz CZUVATWVUGSTSA-ITQYTPKQSA-N 2 3 315.461 2.349 20 0 DEADHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925541229 693292891 /nfs/dbraw/zinc/29/28/91/693292891.db2.gz JTRXAXAKDWIOCC-KZNAEPCWSA-N 2 3 311.514 2.101 20 0 DEADHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925541229 693292893 /nfs/dbraw/zinc/29/28/93/693292893.db2.gz JTRXAXAKDWIOCC-KZNAEPCWSA-N 2 3 311.514 2.101 20 0 DEADHP CC1([NH+]2CCOCC2)CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC001551381768 1074197314 /nfs/dbraw/zinc/19/73/14/1074197314.db2.gz YAEDFJGRNUBQQS-ZLZJIPBDSA-N 2 3 309.498 2.127 20 0 DEADHP CC(C)(C)[C@@H]1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)O2)CC[NH2+]1 ZINC001246130266 1140864465 /nfs/dbraw/zinc/86/44/65/1140864465.db2.gz GIGALUMRSLEDDI-XHSDSOJGSA-N 2 3 309.498 2.044 20 0 DEADHP CC[C@@H]1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)O2)C[C@H](CC)[NH2+]1 ZINC001246136175 1140864891 /nfs/dbraw/zinc/86/48/91/1140864891.db2.gz RLZJTOUYVDTTJU-YYIAUSFCSA-N 2 3 309.498 2.186 20 0 DEADHP CCCC[C@@H]1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)CC[NH2+]1 ZINC001246189394 1140871505 /nfs/dbraw/zinc/87/15/05/1140871505.db2.gz XTMNNLDMTGOCRH-SQNIBIBYSA-N 2 3 323.525 2.436 20 0 DEADHP C[C@@H]1CC([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)C[C@@H](C)N1 ZINC001246421217 1140896358 /nfs/dbraw/zinc/89/63/58/1140896358.db2.gz MQSFHALHGFIJDZ-HZPDHXFCSA-N 2 3 316.493 2.113 20 0 DEADHP CC1(C)C[C@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246422234 1140897154 /nfs/dbraw/zinc/89/71/54/1140897154.db2.gz SKZHHDTUFQVSLY-QGZVFWFLSA-N 2 3 316.493 2.114 20 0 DEADHP NC1([C@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]2CF)CC1 ZINC001246687761 1141035556 /nfs/dbraw/zinc/03/55/56/1141035556.db2.gz FRAXPXJTISEVTC-SOEBMCCKSA-N 2 3 309.473 2.308 20 0 DEADHP NC1([C@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]2CF)CC1 ZINC001246687761 1141035568 /nfs/dbraw/zinc/03/55/68/1141035568.db2.gz FRAXPXJTISEVTC-SOEBMCCKSA-N 2 3 309.473 2.308 20 0 DEADHP C(CC[NH2+]C1CCC(N2CCOCC2)CC1)CC[NH+]1CCCC1 ZINC001256685635 1143862184 /nfs/dbraw/zinc/86/21/84/1143862184.db2.gz DUSKWBRAEDVPAW-UHFFFAOYSA-N 2 3 323.525 2.486 20 0 DEADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(O)CC[NH+](C)CC2)CC1 ZINC000358649292 296329455 /nfs/dbraw/zinc/32/94/55/296329455.db2.gz KMOLEDDYPAGXGM-AEFFLSMTSA-N 2 3 323.525 2.076 20 0 DEADHP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000565717680 292177437 /nfs/dbraw/zinc/17/74/37/292177437.db2.gz QSNRZXNPPBDFBR-KRWDZBQOSA-N 2 3 307.482 2.289 20 0 DEADHP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(OCCN(C)C)c1 ZINC000643537107 407012099 /nfs/dbraw/zinc/01/20/99/407012099.db2.gz ZKHOWZCYMWIOKW-CRAIPNDOSA-N 2 3 317.477 2.420 20 0 DEADHP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422811378 230220096 /nfs/dbraw/zinc/22/00/96/230220096.db2.gz UNUPLDGECOILTM-ZYSHUDEJSA-N 2 3 317.477 2.124 20 0 DEADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423100008 230350253 /nfs/dbraw/zinc/35/02/53/230350253.db2.gz GCWCDDQHRHOMBJ-LSDHHAIUSA-N 2 3 305.466 2.375 20 0 DEADHP C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000657537290 425359080 /nfs/dbraw/zinc/35/90/80/425359080.db2.gz GXACUVHCLBVIGG-IEBWSBKVSA-N 2 3 321.509 2.094 20 0 DEADHP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000444593767 528148663 /nfs/dbraw/zinc/14/86/63/528148663.db2.gz GZIRWNZXLUQBKG-SFHVURJKSA-N 2 3 311.514 2.295 20 0 DEADHP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000444593767 528148668 /nfs/dbraw/zinc/14/86/68/528148668.db2.gz GZIRWNZXLUQBKG-SFHVURJKSA-N 2 3 311.514 2.295 20 0 DEADHP C[NH+](C)C[C@@H]1CN(c2ccnc3ccccc32)C[C@H]1C[NH+](C)C ZINC000866012891 687408983 /nfs/dbraw/zinc/40/89/83/687408983.db2.gz UPFCYNNXVHRLJV-HZPDHXFCSA-N 2 3 312.461 2.410 20 0 DEADHP c1c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)sc2c1CNCC2 ZINC000873210553 689184246 /nfs/dbraw/zinc/18/42/46/689184246.db2.gz JWRIGIPAXGAZFQ-KGLIPLIRSA-N 2 3 305.491 2.215 20 0 DEADHP c1c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)sc2c1CNCC2 ZINC000873210553 689184249 /nfs/dbraw/zinc/18/42/49/689184249.db2.gz JWRIGIPAXGAZFQ-KGLIPLIRSA-N 2 3 305.491 2.215 20 0 DEADHP C[C@H]1CN(CCCC2CC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC000883448277 691513484 /nfs/dbraw/zinc/51/34/84/691513484.db2.gz ZMBFJCKAKQRMKA-INIZCTEOSA-N 2 3 302.466 2.372 20 0 DEADHP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000883448277 691513488 /nfs/dbraw/zinc/51/34/88/691513488.db2.gz ZMBFJCKAKQRMKA-INIZCTEOSA-N 2 3 302.466 2.372 20 0 DEADHP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCN1c1ccncc1 ZINC000883448277 691513492 /nfs/dbraw/zinc/51/34/92/691513492.db2.gz ZMBFJCKAKQRMKA-INIZCTEOSA-N 2 3 302.466 2.372 20 0 DEADHP C[NH+](C)CC[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccnc1 ZINC000925828663 693349184 /nfs/dbraw/zinc/34/91/84/693349184.db2.gz YVKCYNVYHXPQHH-HPBDAGMYSA-N 2 3 302.466 2.052 20 0 DEADHP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206167300 800482543 /nfs/dbraw/zinc/48/25/43/800482543.db2.gz YELPOWCYKFWESI-ZWKOTPCHSA-N 2 3 323.456 2.278 20 0 DEADHP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206167300 800482549 /nfs/dbraw/zinc/48/25/49/800482549.db2.gz YELPOWCYKFWESI-ZWKOTPCHSA-N 2 3 323.456 2.278 20 0 DEADHP CC1([NH+]2CCOCC2)CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC001551381754 1074197833 /nfs/dbraw/zinc/19/78/33/1074197833.db2.gz YAEDFJGRNUBQQS-PBHCIXSXSA-N 2 3 309.498 2.127 20 0 DEADHP c1ccc(C[NH+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@@H]3C2)cc1 ZINC000705945115 1082043888 /nfs/dbraw/zinc/04/38/88/1082043888.db2.gz CWAYJTVNWSSNKO-BKNJSMIZSA-N 2 3 311.473 2.333 20 0 DEADHP C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246137427 1140865769 /nfs/dbraw/zinc/86/57/69/1140865769.db2.gz WCVLYBWSRRIISV-DLBZAZTESA-N 2 3 321.509 2.332 20 0 DEADHP CC[C@@H]1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)CO2)C[C@H](CC)[NH2+]1 ZINC001246173574 1140869784 /nfs/dbraw/zinc/86/97/84/1140869784.db2.gz JMDSAHZSODIHHK-XMTFNYHQSA-N 2 3 323.525 2.434 20 0 DEADHP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCN1 ZINC001246362577 1140888202 /nfs/dbraw/zinc/88/82/02/1140888202.db2.gz AVJQZFFUEVCWPK-QAPCUYQASA-N 2 3 302.466 2.024 20 0 DEADHP COCCC1(C[NH2+][C@H]2CCN[C@H](C(C)(C)C)C2)CC[NH2+]CC1 ZINC001246373437 1140889739 /nfs/dbraw/zinc/88/97/39/1140889739.db2.gz YGNWJULRSCKTCZ-HOTGVXAUSA-N 2 3 311.514 2.149 20 0 DEADHP CCCC[C@H]1C[C@H]([NH2+]CC2(CCOC)CC[NH2+]CC2)CCN1 ZINC001246372599 1140889890 /nfs/dbraw/zinc/88/98/90/1140889890.db2.gz SXBNNIWBOHCWFX-DLBZAZTESA-N 2 3 311.514 2.293 20 0 DEADHP C[NH2+]C1CCC(NC2(c3ccc(OC)cc3)CC[NH2+]CC2)CC1 ZINC001246381455 1140891454 /nfs/dbraw/zinc/89/14/54/1140891454.db2.gz RKAAZSNKQOABBZ-UHFFFAOYSA-N 2 3 317.477 2.394 20 0 DEADHP C[C@@H]1C[C@@H]([NH2+]CC2(c3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246389242 1140892905 /nfs/dbraw/zinc/89/29/05/1140892905.db2.gz PTFWJOVOCMLWLG-PBHICJAKSA-N 2 3 305.441 2.177 20 0 DEADHP CC(C)[C@@H]1C[C@@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246426019 1140896956 /nfs/dbraw/zinc/89/69/56/1140896956.db2.gz FGHCXUZCWKNONK-IRXDYDNUSA-N 2 3 316.493 2.069 20 0 DEADHP Fc1cccc(CC2([NH2+][C@H]3CCC4(C[NH2+]C4)C3)CCNCC2)c1 ZINC001246452153 1140899940 /nfs/dbraw/zinc/89/99/40/1140899940.db2.gz CNPMMSKBEOZLSG-KRWDZBQOSA-N 2 3 317.452 2.222 20 0 DEADHP CC(C)(C)N([C@H]1COC2(C1)CC[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246708758 1141040464 /nfs/dbraw/zinc/04/04/64/1141040464.db2.gz KXEZTXWOLBNRTJ-FCLJQHQZSA-N 2 3 321.509 2.281 20 0 DEADHP C[C@H]([NH2+]Cc1ccccc1OCCN(C)C)C1CC[NH+](C)CC1 ZINC000122405615 539461501 /nfs/dbraw/zinc/46/15/01/539461501.db2.gz XCBMUGQBNAIXDP-INIZCTEOSA-N 2 3 319.493 2.447 20 0 DEADHP CN1CCC[C@@H]1CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000162123021 402410404 /nfs/dbraw/zinc/41/04/04/402410404.db2.gz XBYGRKZOKYMHQK-QGZVFWFLSA-N 2 3 309.498 2.048 20 0 DEADHP COc1ccc([C@H](CN)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424288095 405057832 /nfs/dbraw/zinc/05/78/32/405057832.db2.gz KDIDYZYCKVTCAX-DOTOQJQBSA-N 2 3 317.477 2.202 20 0 DEADHP COc1ccc([C@H](CN)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424288095 405057835 /nfs/dbraw/zinc/05/78/35/405057835.db2.gz KDIDYZYCKVTCAX-DOTOQJQBSA-N 2 3 317.477 2.202 20 0 DEADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000568381391 292336394 /nfs/dbraw/zinc/33/63/94/292336394.db2.gz DAWIFCMMRIUTHR-ZDUSSCGKSA-N 2 3 302.466 2.374 20 0 DEADHP C[C@H](CCN(C)C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422789925 405681274 /nfs/dbraw/zinc/68/12/74/405681274.db2.gz XELJMOHKZFXVBV-KYJSFNMBSA-N 2 3 303.450 2.172 20 0 DEADHP CCCC[C@H](CN)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423304596 405754817 /nfs/dbraw/zinc/75/48/17/405754817.db2.gz ZCJQDTKMHXAVGH-QGPMSJSTSA-N 2 3 303.450 2.349 20 0 DEADHP [NH3+][C@@H]1C[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)c2ccccc21 ZINC000635013315 406399692 /nfs/dbraw/zinc/39/96/92/406399692.db2.gz XVGOKYKDCSMQBG-IAGOWNOFSA-N 2 3 309.417 2.048 20 0 DEADHP [NH3+][C@H]1C[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)c2ccccc21 ZINC000635013316 406399997 /nfs/dbraw/zinc/39/99/97/406399997.db2.gz XVGOKYKDCSMQBG-IRXDYDNUSA-N 2 3 309.417 2.048 20 0 DEADHP CCC[NH+]1CCN(c2ccccc2CN[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000647552197 407019626 /nfs/dbraw/zinc/01/96/26/407019626.db2.gz MCZVFLRKGCSJAF-SJORKVTESA-N 2 3 318.509 2.434 20 0 DEADHP CCC[NH+]1CCN(c2ccccc2CN[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000647552195 407019892 /nfs/dbraw/zinc/01/98/92/407019892.db2.gz MCZVFLRKGCSJAF-IAGOWNOFSA-N 2 3 318.509 2.434 20 0 DEADHP C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000422897398 230267720 /nfs/dbraw/zinc/26/77/20/230267720.db2.gz JLOYXSZJPHTNIJ-MAUKXSAKSA-N 2 3 305.466 2.105 20 0 DEADHP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000423081999 534069182 /nfs/dbraw/zinc/06/91/82/534069182.db2.gz CGHQDNZQXORUBY-QRQLOZEOSA-N 2 3 301.478 2.486 20 0 DEADHP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000422892116 528151832 /nfs/dbraw/zinc/15/18/32/528151832.db2.gz MHIYEKGCZJTGNV-QZTJIDSGSA-N 2 3 305.466 2.377 20 0 DEADHP C[C@@H]1CN(CCCC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C[C@@H](C)O1 ZINC000902345441 643002967 /nfs/dbraw/zinc/00/29/67/643002967.db2.gz CMNYUSDMUFSMAZ-ZACQAIPSSA-N 2 3 311.514 2.244 20 0 DEADHP C[N@@H+]1CC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]2C1 ZINC001167986623 779168679 /nfs/dbraw/zinc/16/86/79/779168679.db2.gz HIMZCINRXOTIGU-AQVVAKNZSA-N 2 3 303.494 2.275 20 0 DEADHP C[N@H+]1CC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]2C1 ZINC001167986623 779168681 /nfs/dbraw/zinc/16/86/81/779168681.db2.gz HIMZCINRXOTIGU-AQVVAKNZSA-N 2 3 303.494 2.275 20 0 DEADHP C[NH+]1CC[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]2C1 ZINC001167986623 779168683 /nfs/dbraw/zinc/16/86/83/779168683.db2.gz HIMZCINRXOTIGU-AQVVAKNZSA-N 2 3 303.494 2.275 20 0 DEADHP C[NH+]1CC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]2C1 ZINC001167986623 779168689 /nfs/dbraw/zinc/16/86/89/779168689.db2.gz HIMZCINRXOTIGU-AQVVAKNZSA-N 2 3 303.494 2.275 20 0 DEADHP CN(C)C1(CNc2ccc(C3([NH3+])CC3)cc2)CC[NH+](C)CC1 ZINC001164213237 799540462 /nfs/dbraw/zinc/54/04/62/799540462.db2.gz QJCYMCYJXJEBKE-UHFFFAOYSA-N 2 3 302.466 2.072 20 0 DEADHP C[C@]1(C[NH3+])CCCCN(Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001206556854 800554577 /nfs/dbraw/zinc/55/45/77/800554577.db2.gz YKXIIPKCWDYPHG-LJQANCHMSA-N 2 3 316.493 2.047 20 0 DEADHP COC1CCN(C2CC[NH+](CC3(C)CC[NH+](C)CC3)CC2)CC1 ZINC001208111256 800914173 /nfs/dbraw/zinc/91/41/73/800914173.db2.gz IURHPFISCLYASG-UHFFFAOYSA-N 2 3 323.525 2.294 20 0 DEADHP c1cc(CN2CCC(OC3CC[NH2+]CC3)CC2)cc2c1C[NH2+]C2 ZINC001235295468 1084376352 /nfs/dbraw/zinc/37/63/52/1084376352.db2.gz UBZGUSPJWODYRF-UHFFFAOYSA-N 2 3 315.461 2.023 20 0 DEADHP CCCC[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCOC23CC[NH2+]CC3)CCN1 ZINC001246143177 1140866277 /nfs/dbraw/zinc/86/62/77/1140866277.db2.gz UJOAUCOAOVGJLM-KZNAEPCWSA-N 2 3 323.525 2.436 20 0 DEADHP CCCC[C@@H]1C[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)CO2)CC[NH2+]1 ZINC001246189393 1140871591 /nfs/dbraw/zinc/87/15/91/1140871591.db2.gz XTMNNLDMTGOCRH-KZNAEPCWSA-N 2 3 323.525 2.436 20 0 DEADHP COc1ccccc1C1(C[NH2+][C@@H]2CCN[C@H](C)C2)CC[NH2+]CC1 ZINC001246416577 1140896139 /nfs/dbraw/zinc/89/61/39/1140896139.db2.gz SCYXDCKMBGWWLI-HZPDHXFCSA-N 2 3 317.477 2.047 20 0 DEADHP Fc1ccccc1C1(CNC2C[C@@H]3C=C[C@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246436590 1140898254 /nfs/dbraw/zinc/89/82/54/1140898254.db2.gz KODKEHOUEAFDRK-XYPWUTKMSA-N 2 3 315.436 2.096 20 0 DEADHP [NH3+]CCC1CCN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246578172 1140984002 /nfs/dbraw/zinc/98/40/02/1140984002.db2.gz GNWLAJQFJBDGOV-RTBURBONSA-N 2 3 301.478 2.411 20 0 DEADHP CCCN1C[C@@H]2C[NH+](C3CCN(c4cc[nH+]cc4)CC3)C[C@H]2C1 ZINC001256865340 1143871996 /nfs/dbraw/zinc/87/19/96/1143871996.db2.gz YXBICLZVZAABOT-IAGOWNOFSA-N 2 3 314.477 2.324 20 0 DEADHP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000447591971 239039592 /nfs/dbraw/zinc/03/95/92/239039592.db2.gz JMFFEVRJHCMPNZ-IEBWSBKVSA-N 2 3 319.493 2.065 20 0 DEADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000309694666 403962027 /nfs/dbraw/zinc/96/20/27/403962027.db2.gz CZDIXLROELQUQR-UFYCRDLUSA-N 2 3 313.489 2.486 20 0 DEADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC[C@@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000414834851 404744416 /nfs/dbraw/zinc/74/44/16/404744416.db2.gz QYYLEUAEYRHSHP-FFGOWVMKSA-N 2 3 313.489 2.486 20 0 DEADHP COc1ccc([C@@H](CN)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420308830 405314032 /nfs/dbraw/zinc/31/40/32/405314032.db2.gz DNHYOMVKOVYVHW-ROUUACIJSA-N 2 3 317.477 2.059 20 0 DEADHP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(OCCN(C)C)c1 ZINC000423248104 405734954 /nfs/dbraw/zinc/73/49/54/405734954.db2.gz MOPRDMMYSUGVQK-HOTGVXAUSA-N 2 3 305.466 2.277 20 0 DEADHP CN(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647789469 407051076 /nfs/dbraw/zinc/05/10/76/407051076.db2.gz GCMYUFKYPJHJTG-RCCFBDPRSA-N 2 3 317.477 2.105 20 0 DEADHP CN(C)CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647789511 407051371 /nfs/dbraw/zinc/05/13/71/407051371.db2.gz GTSIJODFGMXJJH-KZNAEPCWSA-N 2 3 317.477 2.105 20 0 DEADHP C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422884368 287266880 /nfs/dbraw/zinc/26/68/80/287266880.db2.gz SAQZTYHJUDLVPU-NCXUSEDFSA-N 2 3 323.525 2.388 20 0 DEADHP C[C@@H]1CCCC[N@H+]1CCCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422884368 287266885 /nfs/dbraw/zinc/26/68/85/287266885.db2.gz SAQZTYHJUDLVPU-NCXUSEDFSA-N 2 3 323.525 2.388 20 0 DEADHP CCO[C@@H](CC[NH+](C)C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903110156 643251969 /nfs/dbraw/zinc/25/19/69/643251969.db2.gz MAFBBQIVSZTGHL-ONQFOCNCSA-N 2 3 309.498 2.091 20 0 DEADHP CCO[C@@H](CC[NH+](C)C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903110156 643251973 /nfs/dbraw/zinc/25/19/73/643251973.db2.gz MAFBBQIVSZTGHL-ONQFOCNCSA-N 2 3 309.498 2.091 20 0 DEADHP C[C@@H]1C[C@@H](C[NH2+]CC2CCN(Cc3ccncc3)CC2)CC[NH2+]1 ZINC001576598799 1066641856 /nfs/dbraw/zinc/64/18/56/1066641856.db2.gz PHZZOIUEOOKHMD-APWZRJJASA-N 2 3 316.493 2.271 20 0 DEADHP CC[NH+]1CCC(CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC001413261043 1083477080 /nfs/dbraw/zinc/47/70/80/1083477080.db2.gz LWENJVMNVCSDCF-INIZCTEOSA-N 2 3 302.466 2.324 20 0 DEADHP CCCC[C@@H]1C[C@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246247357 1140877772 /nfs/dbraw/zinc/87/77/72/1140877772.db2.gz KZVAXEYNQQFUCK-ZACQAIPSSA-N 2 3 309.498 2.046 20 0 DEADHP Fc1ccc(CC2([NH2+][C@@H]3CCC4(C[NH2+]C4)C3)CCNCC2)cc1 ZINC001246398865 1140893917 /nfs/dbraw/zinc/89/39/17/1140893917.db2.gz XXDBIKPUQFXECI-QGZVFWFLSA-N 2 3 317.452 2.222 20 0 DEADHP c1ccc(CC2([NH2+]C3CCC4(C[NH2+]C4)CC3)CCNCC2)cc1 ZINC001246470894 1140914346 /nfs/dbraw/zinc/91/43/46/1140914346.db2.gz YZGVTKZDQHXRDZ-UHFFFAOYSA-N 2 3 313.489 2.473 20 0 DEADHP C1C[NH2+]C[C@]2(C1)COCCN(C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246643801 1141019985 /nfs/dbraw/zinc/01/99/85/1141019985.db2.gz DCCNXQQANPNQKB-IBGZPJMESA-N 2 3 321.509 2.001 20 0 DEADHP F[C@@H]1CCNC[C@@]12CC[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246698457 1141037761 /nfs/dbraw/zinc/03/77/61/1141037761.db2.gz XZAJZWUFJHRPQO-SJLPKXTDSA-N 2 3 309.473 2.322 20 0 DEADHP F[C@@H]1CCNC[C@@]12CC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246698457 1141037772 /nfs/dbraw/zinc/03/77/72/1141037772.db2.gz XZAJZWUFJHRPQO-SJLPKXTDSA-N 2 3 309.473 2.322 20 0 DEADHP CN1CC2(C1)CC[NH+](C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001256863043 1143871651 /nfs/dbraw/zinc/87/16/51/1143871651.db2.gz VEHMGQIVUSHDEM-UHFFFAOYSA-N 2 3 300.450 2.078 20 0 DEADHP C[NH+]1CCC(CC[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000294169589 403663969 /nfs/dbraw/zinc/66/39/69/403663969.db2.gz JEJINQVRDHSFQX-UHFFFAOYSA-N 2 3 302.466 2.372 20 0 DEADHP c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000309694665 403961865 /nfs/dbraw/zinc/96/18/65/403961865.db2.gz CZDIXLROELQUQR-SLFFLAALSA-N 2 3 313.489 2.486 20 0 DEADHP CC(C)N1CC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000314886577 404005161 /nfs/dbraw/zinc/00/51/61/404005161.db2.gz ILFNXAFJWMGSQE-INIZCTEOSA-N 2 3 302.466 2.370 20 0 DEADHP COc1ccc([C@H](CN)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424288096 405058586 /nfs/dbraw/zinc/05/85/86/405058586.db2.gz KDIDYZYCKVTCAX-NVXWUHKLSA-N 2 3 317.477 2.202 20 0 DEADHP COc1ccc([C@H](CN)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424288096 405058590 /nfs/dbraw/zinc/05/85/90/405058590.db2.gz KDIDYZYCKVTCAX-NVXWUHKLSA-N 2 3 317.477 2.202 20 0 DEADHP CC(C)C[C@H](CN)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423262573 405740069 /nfs/dbraw/zinc/74/00/69/405740069.db2.gz MSUJKYQUFZEWPX-UWWQBHOKSA-N 2 3 303.450 2.205 20 0 DEADHP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459793121 406049377 /nfs/dbraw/zinc/04/93/77/406049377.db2.gz SUXVGNNPWWAXGV-INIZCTEOSA-N 2 3 302.466 2.372 20 0 DEADHP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459793121 406049378 /nfs/dbraw/zinc/04/93/78/406049378.db2.gz SUXVGNNPWWAXGV-INIZCTEOSA-N 2 3 302.466 2.372 20 0 DEADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000422897399 534068142 /nfs/dbraw/zinc/06/81/42/534068142.db2.gz JLOYXSZJPHTNIJ-QAPCUYQASA-N 2 3 305.466 2.105 20 0 DEADHP CC(C)CC[NH+]1CCC(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925540634 693293114 /nfs/dbraw/zinc/29/31/14/693293114.db2.gz DFZYCJMHWQCHME-LTFXXXRZSA-N 2 3 305.510 2.331 20 0 DEADHP [NH3+]C12CC(C[N@@H+]3CC[C@]4(c5ccccc5)CCNC[C@H]4C3)(C1)C2 ZINC001235361334 1084406354 /nfs/dbraw/zinc/40/63/54/1084406354.db2.gz FFYFKKJCCSCVQX-FVELJTHGSA-N 2 3 311.473 2.121 20 0 DEADHP [NH3+]C12CC(C[N@H+]3CC[C@]4(c5ccccc5)CCNC[C@H]4C3)(C1)C2 ZINC001235361334 1084406360 /nfs/dbraw/zinc/40/63/60/1084406360.db2.gz FFYFKKJCCSCVQX-FVELJTHGSA-N 2 3 311.473 2.121 20 0 DEADHP [NH3+]C1CCN(C2CCN(CCC[NH2+]C3CCCCC3)CC2)CC1 ZINC001236580274 1138377765 /nfs/dbraw/zinc/37/77/65/1138377765.db2.gz CGUHULZKVLGBGW-UHFFFAOYSA-N 2 3 322.541 2.186 20 0 DEADHP c1cncc([C@@H]2NCC[C@@H]2C[NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246341631 1140886153 /nfs/dbraw/zinc/88/61/53/1140886153.db2.gz PFVDZPORDZRDPG-YDZRNGNQSA-N 2 3 314.477 2.244 20 0 DEADHP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)CCN1 ZINC001246363666 1140888723 /nfs/dbraw/zinc/88/87/23/1140888723.db2.gz FRWRHBGXPSLFIF-YJBOKZPZSA-N 2 3 302.466 2.024 20 0 DEADHP C[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CCN1 ZINC001246387082 1140892291 /nfs/dbraw/zinc/89/22/91/1140892291.db2.gz UZELHKCVNKELBO-MAUKXSAKSA-N 2 3 319.468 2.468 20 0 DEADHP C[C@H]1C[C@H]([NH2+]CC2(c3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246389244 1140893227 /nfs/dbraw/zinc/89/32/27/1140893227.db2.gz PTFWJOVOCMLWLG-WMLDXEAASA-N 2 3 305.441 2.177 20 0 DEADHP [NH3+]CCCC[NH2+]CCCN[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001246458051 1140909274 /nfs/dbraw/zinc/90/92/74/1140909274.db2.gz RRVXAQZLXSHEIN-HNNXBMFYSA-N 2 3 311.420 2.130 20 0 DEADHP Cc1cc(F)ccc1[C@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CC[NH2+]1 ZINC001246664481 1141028481 /nfs/dbraw/zinc/02/84/81/1141028481.db2.gz YBBQRTNUJOZGGS-GIVGJKMXSA-N 2 3 303.425 2.349 20 0 DEADHP c1ccc(C[C@H]2C[C@@H](N3CCC(C4C[NH2+]C4)CC3)CC[NH2+]2)cc1 ZINC001246678928 1141032859 /nfs/dbraw/zinc/03/28/59/1141032859.db2.gz ONTFOCNLNYDNGK-PMACEKPBSA-N 2 3 313.489 2.281 20 0 DEADHP NC1([C@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]2CF)CC1 ZINC001246687756 1141034229 /nfs/dbraw/zinc/03/42/29/1141034229.db2.gz FRAXPXJTISEVTC-GYXIZQIFSA-N 2 3 309.473 2.308 20 0 DEADHP NC1([C@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]2CF)CC1 ZINC001246687756 1141034239 /nfs/dbraw/zinc/03/42/39/1141034239.db2.gz FRAXPXJTISEVTC-GYXIZQIFSA-N 2 3 309.473 2.308 20 0 DEADHP NC1([C@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]2CF)CC1 ZINC001246687747 1141035847 /nfs/dbraw/zinc/03/58/47/1141035847.db2.gz FPROZTFRWKKVDO-ZBFHGGJFSA-N 2 3 309.473 2.308 20 0 DEADHP NC1([C@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]2CF)CC1 ZINC001246687747 1141035860 /nfs/dbraw/zinc/03/58/60/1141035860.db2.gz FPROZTFRWKKVDO-ZBFHGGJFSA-N 2 3 309.473 2.308 20 0 DEADHP F[C@H]1CCNC[C@@]12CC[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246698455 1141038690 /nfs/dbraw/zinc/03/86/90/1141038690.db2.gz XZAJZWUFJHRPQO-FUHWJXTLSA-N 2 3 309.473 2.322 20 0 DEADHP F[C@H]1CCNC[C@@]12CC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246698455 1141038699 /nfs/dbraw/zinc/03/86/99/1141038699.db2.gz XZAJZWUFJHRPQO-FUHWJXTLSA-N 2 3 309.473 2.322 20 0 DEADHP [NH3+][C@@H]1CCN([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H]1C(F)(F)F ZINC001246933832 1141143235 /nfs/dbraw/zinc/14/32/35/1141143235.db2.gz JIUVPWCUGXKFKS-RQJABVFESA-N 2 3 305.388 2.120 20 0 DEADHP CN(C)CCN([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246992191 1141224048 /nfs/dbraw/zinc/22/40/48/1141224048.db2.gz YFVPUBCLPRVSQG-RTBURBONSA-N 2 3 322.541 2.009 20 0 DEADHP CN(C)CCN([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246992191 1141224082 /nfs/dbraw/zinc/22/40/82/1141224082.db2.gz YFVPUBCLPRVSQG-RTBURBONSA-N 2 3 322.541 2.009 20 0 DEADHP C[C@H]1C[C@@H](NC(=[NH2+])SCC[NH3+])CCN1Cc1ccccc1 ZINC001256522732 1143851946 /nfs/dbraw/zinc/85/19/46/1143851946.db2.gz IWJATDZKMCAEAP-ZFWWWQNUSA-N 2 3 306.479 2.256 20 0 DEADHP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000356909296 147001514 /nfs/dbraw/zinc/00/15/14/147001514.db2.gz BVBSQTXSIXJLGC-VQIMIIECSA-N 2 3 319.493 2.447 20 0 DEADHP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000356909296 147001516 /nfs/dbraw/zinc/00/15/16/147001516.db2.gz BVBSQTXSIXJLGC-VQIMIIECSA-N 2 3 319.493 2.447 20 0 DEADHP COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420328825 405321447 /nfs/dbraw/zinc/32/14/47/405321447.db2.gz NBHKSQOTTKLSLU-RCCFBDPRSA-N 2 3 317.477 2.059 20 0 DEADHP CCCN1CC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459465684 405915363 /nfs/dbraw/zinc/91/53/63/405915363.db2.gz JANMWHOFPQHMBD-INIZCTEOSA-N 2 3 302.466 2.372 20 0 DEADHP C[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)C1CC[NH+](C)CC1 ZINC000643544719 407012843 /nfs/dbraw/zinc/01/28/43/407012843.db2.gz DCPWYZQBPDNFGR-SSAIOAENSA-N 2 3 305.510 2.460 20 0 DEADHP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(OCCN(C)C)c1 ZINC000650744618 425046715 /nfs/dbraw/zinc/04/67/15/425046715.db2.gz RYMGBCWABKZVHP-HNNXBMFYSA-N 2 3 305.466 2.407 20 0 DEADHP C[C@@H](NCC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCC[NH2+]1 ZINC000665240826 425526951 /nfs/dbraw/zinc/52/69/51/425526951.db2.gz TXNMNRGLSVOPNY-CRAIPNDOSA-N 2 3 302.466 2.024 20 0 DEADHP C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000422716174 534068523 /nfs/dbraw/zinc/06/85/23/534068523.db2.gz MZZBMBJWJSJDRR-APWZRJJASA-N 2 3 319.493 2.495 20 0 DEADHP c1cc(N2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)ccn1 ZINC000422997977 534469641 /nfs/dbraw/zinc/46/96/41/534469641.db2.gz VUWCZEFCAOLYNE-SJPCQFCGSA-N 2 3 300.450 2.171 20 0 DEADHP NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333488 643638936 /nfs/dbraw/zinc/63/89/36/643638936.db2.gz ARKKFEVNPZFSSO-AKHDSKFASA-N 2 3 301.478 2.396 20 0 DEADHP NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333488 643638939 /nfs/dbraw/zinc/63/89/39/643638939.db2.gz ARKKFEVNPZFSSO-AKHDSKFASA-N 2 3 301.478 2.396 20 0 DEADHP CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])C2 ZINC001169114791 785059680 /nfs/dbraw/zinc/05/96/80/785059680.db2.gz YOCGNWIRQDCMFR-PHZGNYQRSA-N 2 3 310.530 2.087 20 0 DEADHP CCN1CCC[C@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000069160313 1079953791 /nfs/dbraw/zinc/95/37/91/1079953791.db2.gz AQBDIXUHXZHHLN-GOSISDBHSA-N 2 3 319.493 2.449 20 0 DEADHP [NH3+]C12CC(C[N@@H+]3CC[C@@]4(c5ccccc5)CCNC[C@@H]4C3)(C1)C2 ZINC001235361340 1084406951 /nfs/dbraw/zinc/40/69/51/1084406951.db2.gz FFYFKKJCCSCVQX-YNIZLOQISA-N 2 3 311.473 2.121 20 0 DEADHP [NH3+]C12CC(C[N@H+]3CC[C@@]4(c5ccccc5)CCNC[C@@H]4C3)(C1)C2 ZINC001235361340 1084406955 /nfs/dbraw/zinc/40/69/55/1084406955.db2.gz FFYFKKJCCSCVQX-YNIZLOQISA-N 2 3 311.473 2.121 20 0 DEADHP FC(F)(F)[C@]1(CN[C@@H]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]C1 ZINC001246115763 1091700275 /nfs/dbraw/zinc/70/02/75/1091700275.db2.gz SPKISEWKAQZTQB-TZMCWYRMSA-N 2 3 305.388 2.040 20 0 DEADHP FC(F)(F)[C@]1(CNC2CCC3(CC[NH2+]CC3)CC2)CC[NH2+]C1 ZINC001246109224 1140862056 /nfs/dbraw/zinc/86/20/56/1140862056.db2.gz GANBWMSEKLQNBL-OAHLLOKOSA-N 2 3 319.415 2.430 20 0 DEADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC[C@H]2C[NH2+]Cc3cccn3C2)CCN1 ZINC001246138528 1140865638 /nfs/dbraw/zinc/86/56/38/1140865638.db2.gz JKCKMBDJMYVPCO-BQFCYCMXSA-N 2 3 318.509 2.354 20 0 DEADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC[C@H]2CCOC23CC[NH2+]CC3)CCN1 ZINC001246142582 1140866258 /nfs/dbraw/zinc/86/62/58/1140866258.db2.gz SVJGBESBXCULKW-BBWFWOEESA-N 2 3 323.525 2.292 20 0 DEADHP CC(C)[C@@H]1C[C@H](NCC2(c3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246423920 1140897182 /nfs/dbraw/zinc/89/71/82/1140897182.db2.gz RWCCJDGURNKRIR-MSOLQXFVSA-N 2 3 316.493 2.069 20 0 DEADHP CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CCN1 ZINC001246423120 1140897277 /nfs/dbraw/zinc/89/72/77/1140897277.db2.gz XYGBWURMXDSHEB-MSOLQXFVSA-N 2 3 316.493 2.114 20 0 DEADHP CC[NH+](CC)CCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256677666 1143861356 /nfs/dbraw/zinc/86/13/56/1143861356.db2.gz GTQQBRKGJFJXQC-UHFFFAOYSA-N 2 3 311.514 2.341 20 0 DEADHP CC[NH+]1CCC(C[NH2+][C@@H](CCN(C)C)c2cccnc2)CC1 ZINC001365014047 1145755835 /nfs/dbraw/zinc/75/58/35/1145755835.db2.gz MKNONWLTQUKGCL-SFHVURJKSA-N 2 3 304.482 2.396 20 0 DEADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC[C@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000414834853 404744892 /nfs/dbraw/zinc/74/48/92/404744892.db2.gz QYYLEUAEYRHSHP-GTAWCEEGSA-N 2 3 313.489 2.486 20 0 DEADHP C[C@H](CCN(C)C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422789928 405682011 /nfs/dbraw/zinc/68/20/11/405682011.db2.gz XELJMOHKZFXVBV-QGPMSJSTSA-N 2 3 303.450 2.172 20 0 DEADHP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(OCCN(C)C)c1 ZINC000643537109 407012214 /nfs/dbraw/zinc/01/22/14/407012214.db2.gz ZKHOWZCYMWIOKW-QAPCUYQASA-N 2 3 317.477 2.420 20 0 DEADHP C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643452393 407001663 /nfs/dbraw/zinc/00/16/63/407001663.db2.gz PKRKDXVAVBIARQ-FGTMMUONSA-N 2 3 322.541 2.055 20 0 DEADHP C[NH2+]CC1CC[NH+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000647494506 407007224 /nfs/dbraw/zinc/00/72/24/407007224.db2.gz RLHDKVLVIXMGFR-UHFFFAOYSA-N 2 3 305.466 2.058 20 0 DEADHP C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876609 230254696 /nfs/dbraw/zinc/25/46/96/230254696.db2.gz GMUPQDJONNOXLZ-IGKNDFSCSA-N 2 3 311.514 2.086 20 0 DEADHP C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876609 230254701 /nfs/dbraw/zinc/25/47/01/230254701.db2.gz GMUPQDJONNOXLZ-IGKNDFSCSA-N 2 3 311.514 2.086 20 0 DEADHP C[C@@H]1CCC[N@H+](CCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422873814 230254853 /nfs/dbraw/zinc/25/48/53/230254853.db2.gz BEHPFBXPKTXIET-FCGDIQPGSA-N 2 3 323.525 2.245 20 0 DEADHP C[C@@H]1CCC[N@@H+](CCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422873814 230254857 /nfs/dbraw/zinc/25/48/57/230254857.db2.gz BEHPFBXPKTXIET-FCGDIQPGSA-N 2 3 323.525 2.245 20 0 DEADHP C[C@@H](CCCC[NH3+])[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000665240681 425527373 /nfs/dbraw/zinc/52/73/73/425527373.db2.gz QESPKOPMTVNZGX-INIZCTEOSA-N 2 3 304.482 2.401 20 0 DEADHP COc1ccc([C@@H](CN)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424288097 295211835 /nfs/dbraw/zinc/21/18/35/295211835.db2.gz KDIDYZYCKVTCAX-RDJZCZTQSA-N 2 3 317.477 2.202 20 0 DEADHP COc1ccc([C@@H](CN)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424288097 295211837 /nfs/dbraw/zinc/21/18/37/295211837.db2.gz KDIDYZYCKVTCAX-RDJZCZTQSA-N 2 3 317.477 2.202 20 0 DEADHP C[NH+](C)CCCOc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000567915639 325881302 /nfs/dbraw/zinc/88/13/02/325881302.db2.gz ZDXUFTNRUAFCFB-SJORKVTESA-N 2 3 305.466 2.377 20 0 DEADHP [NH3+][C@H](C[C@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC000903782703 643461576 /nfs/dbraw/zinc/46/15/76/643461576.db2.gz REMMYQKFHRAEHU-BHIYHBOVSA-N 2 3 323.525 2.063 20 0 DEADHP C([NH2+][C@@H]1CCCCC12CC[NH2+]CC2)c1nc2c(s1)CNCC2 ZINC000873231244 689190176 /nfs/dbraw/zinc/19/01/76/689190176.db2.gz LPTZWNVUPISGDO-OAHLLOKOSA-N 2 3 320.506 2.191 20 0 DEADHP NC1(C[NH2+]C2[C@@H]3CC[C@H]2CC([NH3+])C3)C2CC3CC(C2)CC1C3 ZINC000925704523 693327588 /nfs/dbraw/zinc/32/75/88/693327588.db2.gz HNRRZRGEDIWKBN-FQIFSGPDSA-N 2 3 303.494 2.246 20 0 DEADHP [NH3+]C12CC(C[N@@H+]3CC[C@@]4(c5ccccc5)CCNC[C@H]4C3)(C1)C2 ZINC001235361330 1084406977 /nfs/dbraw/zinc/40/69/77/1084406977.db2.gz FFYFKKJCCSCVQX-DCCYDQLOSA-N 2 3 311.473 2.121 20 0 DEADHP [NH3+]C12CC(C[N@H+]3CC[C@@]4(c5ccccc5)CCNC[C@H]4C3)(C1)C2 ZINC001235361330 1084406982 /nfs/dbraw/zinc/40/69/82/1084406982.db2.gz FFYFKKJCCSCVQX-DCCYDQLOSA-N 2 3 311.473 2.121 20 0 DEADHP [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)C[C@@H]2CCC[NH2+]C2)CC1 ZINC001236560953 1138375872 /nfs/dbraw/zinc/37/58/72/1138375872.db2.gz JUPWHCNULVENEX-KZNAEPCWSA-N 2 3 302.466 2.153 20 0 DEADHP CC[C@@H]1C[C@@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](CC)[NH2+]1 ZINC001246249348 1140877696 /nfs/dbraw/zinc/87/76/96/1140877696.db2.gz QEBHBZHETNZPKQ-YYIAUSFCSA-N 2 3 309.498 2.044 20 0 DEADHP CCCC[C@@H]1C[C@@H]([NH2+][C@H]2CCOC3(CC[NH2+]CC3)C2)CCN1 ZINC001246252390 1140878260 /nfs/dbraw/zinc/87/82/60/1140878260.db2.gz ANJCJIRDMBYMPM-IKGGRYGDSA-N 2 3 309.498 2.188 20 0 DEADHP COc1ccc(C2(C[NH2+][C@@H]3CCN[C@@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246414936 1140895712 /nfs/dbraw/zinc/89/57/12/1140895712.db2.gz JLQSFYWAMMNKEL-DOTOQJQBSA-N 2 3 317.477 2.047 20 0 DEADHP Fc1ccccc1C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH2+]CC1 ZINC001246437569 1140898812 /nfs/dbraw/zinc/89/88/12/1140898812.db2.gz PZLWRWHULAFNCX-MUJYYYPQSA-N 2 3 317.452 2.320 20 0 DEADHP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000423110499 533554977 /nfs/dbraw/zinc/55/49/77/533554977.db2.gz UVWLFYUGOYINOY-HNNXBMFYSA-N 2 3 305.466 2.377 20 0 DEADHP C[C@H](CCN(C)C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422789932 405681920 /nfs/dbraw/zinc/68/19/20/405681920.db2.gz XELJMOHKZFXVBV-UWWQBHOKSA-N 2 3 303.450 2.172 20 0 DEADHP C[N@H+]1CC=C(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423010875 277023465 /nfs/dbraw/zinc/02/34/65/277023465.db2.gz AAYVHTFUVCXAIQ-HKUYNNGSSA-N 2 3 313.445 2.094 20 0 DEADHP C[N@@H+]1CC=C(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423010875 277023468 /nfs/dbraw/zinc/02/34/68/277023468.db2.gz AAYVHTFUVCXAIQ-HKUYNNGSSA-N 2 3 313.445 2.094 20 0 DEADHP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000420387347 295302948 /nfs/dbraw/zinc/30/29/48/295302948.db2.gz VTIGFGOPKMBASM-QZTJIDSGSA-N 2 3 309.498 2.081 20 0 DEADHP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000422832285 533848655 /nfs/dbraw/zinc/84/86/55/533848655.db2.gz FMSBQFCIMCBHQH-MRXNPFEDSA-N 2 3 319.493 2.250 20 0 DEADHP c1c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)sc2c1CNCC2 ZINC000873210555 689184367 /nfs/dbraw/zinc/18/43/67/689184367.db2.gz JWRIGIPAXGAZFQ-ZIAGYGMSSA-N 2 3 305.491 2.215 20 0 DEADHP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)sc2c1CNCC2 ZINC000873210555 689184371 /nfs/dbraw/zinc/18/43/71/689184371.db2.gz JWRIGIPAXGAZFQ-ZIAGYGMSSA-N 2 3 305.491 2.215 20 0 DEADHP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294908 689204510 /nfs/dbraw/zinc/20/45/10/689204510.db2.gz VWVIRZPDKXDRKN-BRWVUGGUSA-N 2 3 309.498 2.046 20 0 DEADHP CCN(CC)Cc1cc(OC)ccc1NC(=[NH2+])NCCCC[NH3+] ZINC001167883155 778746996 /nfs/dbraw/zinc/74/69/96/778746996.db2.gz ARLIBZHYMSDHJP-UHFFFAOYSA-N 2 3 321.469 2.212 20 0 DEADHP C[C@H]1C[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC001205130865 800302187 /nfs/dbraw/zinc/30/21/87/800302187.db2.gz MXFXUWGDSKYGFJ-QXAKKESOSA-N 2 3 301.478 2.425 20 0 DEADHP C[C@H]1C[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC001205130865 800302189 /nfs/dbraw/zinc/30/21/89/800302189.db2.gz MXFXUWGDSKYGFJ-QXAKKESOSA-N 2 3 301.478 2.425 20 0 DEADHP CC[NH+]1CCC(CN2CCN(c3cc[nH+]c(C)c3)CC2)CC1 ZINC001208603261 801026399 /nfs/dbraw/zinc/02/63/99/801026399.db2.gz YDCOCHVLQMTQEY-UHFFFAOYSA-N 2 3 302.466 2.244 20 0 DEADHP CC[C@@H]1C[C@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](CC)[NH2+]1 ZINC001246249107 1140877959 /nfs/dbraw/zinc/87/79/59/1140877959.db2.gz QEBHBZHETNZPKQ-LTIDMASMSA-N 2 3 309.498 2.044 20 0 DEADHP c1cncc([C@@H]2NCC[C@@H]2C[NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001246340678 1140885909 /nfs/dbraw/zinc/88/59/09/1140885909.db2.gz MQIARUYFXRHDDP-KURKYZTESA-N 2 3 314.477 2.244 20 0 DEADHP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCN1 ZINC001246362575 1140888059 /nfs/dbraw/zinc/88/80/59/1140888059.db2.gz AVJQZFFUEVCWPK-CRAIPNDOSA-N 2 3 302.466 2.024 20 0 DEADHP c1ccc(CN2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc1 ZINC001246367852 1140889289 /nfs/dbraw/zinc/88/92/89/1140889289.db2.gz SIFWYNZZLBOUHB-JJTKIYQPSA-N 2 3 314.477 2.166 20 0 DEADHP Fc1ccccc1C1([NH2+][C@@H]2CCC3(C[NH2+]C3)C2)CCNCC1 ZINC001246434455 1140897749 /nfs/dbraw/zinc/89/77/49/1140897749.db2.gz CRGNTZWMIVZUHN-CQSZACIVSA-N 2 3 303.425 2.136 20 0 DEADHP Fc1cccc(CC2([NH2+][C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)CCNCC2)c1 ZINC001246455236 1140905417 /nfs/dbraw/zinc/90/54/17/1140905417.db2.gz HUZQYIXEGWATDX-VQFNDLOPSA-N 2 3 317.452 2.078 20 0 DEADHP C[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1CC[NH+](C)CC1 ZINC000162525105 539598042 /nfs/dbraw/zinc/59/80/42/539598042.db2.gz GHVWKQQMWJKUCM-INIZCTEOSA-N 2 3 319.493 2.447 20 0 DEADHP COc1ccc([C@H](CN)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000420321198 405318347 /nfs/dbraw/zinc/31/83/47/405318347.db2.gz QWHMOMFLQNJHKO-QGZVFWFLSA-N 2 3 305.466 2.011 20 0 DEADHP CCCN1CC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459465686 405914933 /nfs/dbraw/zinc/91/49/33/405914933.db2.gz JANMWHOFPQHMBD-MRXNPFEDSA-N 2 3 302.466 2.372 20 0 DEADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1 ZINC000519701203 406238510 /nfs/dbraw/zinc/23/85/10/406238510.db2.gz AKJQWKYWBMRSPC-QRVBRYPASA-N 2 3 317.477 2.003 20 0 DEADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000519701203 406238511 /nfs/dbraw/zinc/23/85/11/406238511.db2.gz AKJQWKYWBMRSPC-QRVBRYPASA-N 2 3 317.477 2.003 20 0 DEADHP C[C@@H]1CCC[N@H+](CCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422873813 287347591 /nfs/dbraw/zinc/34/75/91/287347591.db2.gz BEHPFBXPKTXIET-AKHDSKFASA-N 2 3 323.525 2.245 20 0 DEADHP C[C@@H]1CCC[N@@H+](CCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422873813 287347593 /nfs/dbraw/zinc/34/75/93/287347593.db2.gz BEHPFBXPKTXIET-AKHDSKFASA-N 2 3 323.525 2.245 20 0 DEADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000422978945 230303337 /nfs/dbraw/zinc/30/33/37/230303337.db2.gz LCQVAPWIBJKBLN-CADBVGFASA-N 2 3 323.525 2.124 20 0 DEADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000422978945 230303341 /nfs/dbraw/zinc/30/33/41/230303341.db2.gz LCQVAPWIBJKBLN-CADBVGFASA-N 2 3 323.525 2.124 20 0 DEADHP C[NH+](C)CCOc1ccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000650708526 425039433 /nfs/dbraw/zinc/03/94/33/425039433.db2.gz BTVLOVXPNHDPDV-HKUYNNGSSA-N 2 3 317.477 2.188 20 0 DEADHP C[NH+](C)[C@@H]1CCCN(CCCN2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000365403433 289295973 /nfs/dbraw/zinc/29/59/73/289295973.db2.gz DZSQUPROJNAZKH-RTBURBONSA-N 2 3 324.557 2.209 20 0 DEADHP COc1ccc([C@H](C[NH3+])CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420328824 295241161 /nfs/dbraw/zinc/24/11/61/295241161.db2.gz NBHKSQOTTKLSLU-OKZBNKHCSA-N 2 3 317.477 2.059 20 0 DEADHP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000105480334 524561402 /nfs/dbraw/zinc/56/14/02/524561402.db2.gz BVBSQTXSIXJLGC-LPHOPBHVSA-N 2 3 319.493 2.447 20 0 DEADHP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000105480334 524561411 /nfs/dbraw/zinc/56/14/11/524561411.db2.gz BVBSQTXSIXJLGC-LPHOPBHVSA-N 2 3 319.493 2.447 20 0 DEADHP [NH3+][C@H](C[C@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC000903782705 643461433 /nfs/dbraw/zinc/46/14/33/643461433.db2.gz REMMYQKFHRAEHU-NZSAHSFTSA-N 2 3 323.525 2.063 20 0 DEADHP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1ccncc1 ZINC000903937588 643515143 /nfs/dbraw/zinc/51/51/43/643515143.db2.gz NTXZVMHPRQEWPL-XYTVBORESA-N 2 3 300.450 2.123 20 0 DEADHP C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1ccncc1 ZINC000903937588 643515145 /nfs/dbraw/zinc/51/51/45/643515145.db2.gz NTXZVMHPRQEWPL-XYTVBORESA-N 2 3 300.450 2.123 20 0 DEADHP C[C@H]1CC[C@@H](C[NH3+])CN1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001206808014 800598111 /nfs/dbraw/zinc/59/81/11/800598111.db2.gz JMIWILYHEMSEMU-GJZGRUSLSA-N 2 3 312.461 2.304 20 0 DEADHP [NH3+]CCCCCN1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235645134 1084486435 /nfs/dbraw/zinc/48/64/35/1084486435.db2.gz DFKNQIYTXBZHBK-UHFFFAOYSA-N 2 3 319.497 2.250 20 0 DEADHP CC[C@@H]1CC(NC[C@H]2CCC3(CC[NH2+]CC3)O2)C[C@@H](CC)[NH2+]1 ZINC001246136153 1140864798 /nfs/dbraw/zinc/86/47/98/1140864798.db2.gz RLZJTOUYVDTTJU-BFYDXBDKSA-N 2 3 309.498 2.186 20 0 DEADHP Fc1cccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)c1 ZINC001246386280 1140892551 /nfs/dbraw/zinc/89/25/51/1140892551.db2.gz HJUHFJCERLOQAF-JWTNVVGKSA-N 2 3 317.452 2.320 20 0 DEADHP C1C[NH2+]CC2(C1)CCC(N1CCOC[C@@]3(CCC[NH2+]C3)C1)CC2 ZINC001246644334 1141023464 /nfs/dbraw/zinc/02/34/64/1141023464.db2.gz GFZINTFNQQKAQX-CTWPCTMYSA-N 2 3 321.509 2.001 20 0 DEADHP c1ccc(CN([C@@H]2CSC3(C[NH2+]C3)C2)C2CC[NH2+]CC2)cc1 ZINC001246912940 1141114885 /nfs/dbraw/zinc/11/48/85/1141114885.db2.gz HLSWTDQFAOOIKD-KRWDZBQOSA-N 2 3 317.502 2.088 20 0 DEADHP c1ccc(C[N@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C2CCNCC2)cc1 ZINC001246912940 1141114924 /nfs/dbraw/zinc/11/49/24/1141114924.db2.gz HLSWTDQFAOOIKD-KRWDZBQOSA-N 2 3 317.502 2.088 20 0 DEADHP c1ccc(C[N@@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C2CCNCC2)cc1 ZINC001246912940 1141114939 /nfs/dbraw/zinc/11/49/39/1141114939.db2.gz HLSWTDQFAOOIKD-KRWDZBQOSA-N 2 3 317.502 2.088 20 0 DEADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000422907974 230271328 /nfs/dbraw/zinc/27/13/28/230271328.db2.gz CNDAGWOQBSGFEZ-APAFKAMOSA-N 2 3 323.525 2.386 20 0 DEADHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)C1 ZINC000652350427 425245229 /nfs/dbraw/zinc/24/52/29/425245229.db2.gz XVXYNPGUPPRHSY-KURKYZTESA-N 2 3 309.498 2.081 20 0 DEADHP C[C@H](CCN(C)C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422789922 279258264 /nfs/dbraw/zinc/25/82/64/279258264.db2.gz XELJMOHKZFXVBV-HFTRVMKXSA-N 2 3 303.450 2.172 20 0 DEADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C[C@@H](C)O1 ZINC000902345438 643003073 /nfs/dbraw/zinc/00/30/73/643003073.db2.gz CMNYUSDMUFSMAZ-BRWVUGGUSA-N 2 3 311.514 2.244 20 0 DEADHP COC1CC[NH+](C2CCN(C3CCC([NH+](C)C)CC3)CC2)CC1 ZINC001168329772 780845934 /nfs/dbraw/zinc/84/59/34/780845934.db2.gz HIKGGQJUQXRDQB-UHFFFAOYSA-N 2 3 323.525 2.434 20 0 DEADHP C[N@@H+]1CCC[C@H](CCN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC001578529527 1067125950 /nfs/dbraw/zinc/12/59/50/1067125950.db2.gz XPJKGEJVNIOGRI-BHIYHBOVSA-N 2 3 301.478 2.454 20 0 DEADHP C[N@H+]1CCC[C@H](CCN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC001578529527 1067125956 /nfs/dbraw/zinc/12/59/56/1067125956.db2.gz XPJKGEJVNIOGRI-BHIYHBOVSA-N 2 3 301.478 2.454 20 0 DEADHP C[C@@H]1C[NH+](CC2CCN(C[C@H]3CCCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC001553304891 1074835017 /nfs/dbraw/zinc/83/50/17/1074835017.db2.gz NNTGIZKJNXTGHE-LMMKCTJWSA-N 2 3 323.525 2.197 20 0 DEADHP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CC[NH2+]CC2)CCN1 ZINC001246211186 1140873681 /nfs/dbraw/zinc/87/36/81/1140873681.db2.gz MKIQGLFVWAPUJK-WMLDXEAASA-N 2 3 305.441 2.177 20 0 DEADHP C[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CCN1 ZINC001246387074 1140892636 /nfs/dbraw/zinc/89/26/36/1140892636.db2.gz UZELHKCVNKELBO-CRAIPNDOSA-N 2 3 319.468 2.468 20 0 DEADHP COc1ccc(C2(C[NH2+][C@H]3CCN[C@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246414941 1140895719 /nfs/dbraw/zinc/89/57/19/1140895719.db2.gz JLQSFYWAMMNKEL-WBVHZDCISA-N 2 3 317.477 2.047 20 0 DEADHP C[C@H]1C[C@@H]([NH2+]CCCP(CCC[NH3+])c2ccccc2)CCN1 ZINC001246463389 1140911641 /nfs/dbraw/zinc/91/16/41/1140911641.db2.gz RLOHVIPDYTZGTL-ASCMOBCVSA-N 2 3 321.449 2.263 20 0 DEADHP CCCC[C@H]1C[C@@H](N2CCC(C3=CC=C(N)C[NH2+]3)CC2)CC[NH2+]1 ZINC001246492207 1140921060 /nfs/dbraw/zinc/92/10/60/1140921060.db2.gz BWZSZDRJSSSGNL-ROUUACIJSA-N 2 3 318.509 2.339 20 0 DEADHP [NH3+]C[C@H](CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000424283490 405057908 /nfs/dbraw/zinc/05/79/08/405057908.db2.gz NEYLHKXVEFCZCO-BRWVUGGUSA-N 2 3 305.441 2.190 20 0 DEADHP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(OCCN(C)C)cc1 ZINC000423493940 405826303 /nfs/dbraw/zinc/82/63/03/405826303.db2.gz RKENPRBPVBOKHL-ZOBUZTSGSA-N 2 3 305.466 2.405 20 0 DEADHP C[NH+](C)CCCOc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000567915638 406160491 /nfs/dbraw/zinc/16/04/91/406160491.db2.gz ZDXUFTNRUAFCFB-IRXDYDNUSA-N 2 3 305.466 2.377 20 0 DEADHP C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000647509014 407009443 /nfs/dbraw/zinc/00/94/43/407009443.db2.gz FTBWUSYQAIXWAR-FUHWJXTLSA-N 2 3 317.477 2.330 20 0 DEADHP C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000647509013 407009525 /nfs/dbraw/zinc/00/95/25/407009525.db2.gz FTBWUSYQAIXWAR-AEFFLSMTSA-N 2 3 317.477 2.330 20 0 DEADHP CC[NH2+]CC1CC[NH+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000647503751 407008587 /nfs/dbraw/zinc/00/85/87/407008587.db2.gz GRDKHZOWPUONGA-UHFFFAOYSA-N 2 3 319.493 2.449 20 0 DEADHP CN(C)CCOc1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000666902407 425206658 /nfs/dbraw/zinc/20/66/58/425206658.db2.gz ODVORPAKYCQYAX-QGZVFWFLSA-N 2 3 305.466 2.249 20 0 DEADHP CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3c2CC[NH2+]C3)[C@@H](C)C1 ZINC000662262365 425606990 /nfs/dbraw/zinc/60/69/90/425606990.db2.gz GNGVUKCULQXTHL-HNAYVOBHSA-N 2 3 301.478 2.494 20 0 DEADHP CC[N@H+]1CC[C@@H](N(C)Cc2cccc3c2CC[NH2+]C3)[C@@H](C)C1 ZINC000662262365 425606991 /nfs/dbraw/zinc/60/69/91/425606991.db2.gz GNGVUKCULQXTHL-HNAYVOBHSA-N 2 3 301.478 2.494 20 0 DEADHP C[C@H]1C[C@@H](C[NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000415005100 300415615 /nfs/dbraw/zinc/41/56/15/300415615.db2.gz OVRGHYHGAKDRJJ-RIVXBTQJSA-N 2 3 319.468 2.497 20 0 DEADHP C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000567915636 325881582 /nfs/dbraw/zinc/88/15/82/325881582.db2.gz ZDXUFTNRUAFCFB-DLBZAZTESA-N 2 3 305.466 2.377 20 0 DEADHP CC(C)(C)CC[C@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000904388023 643658015 /nfs/dbraw/zinc/65/80/15/643658015.db2.gz AIBOASSETDZGGY-RYQLBKOJSA-N 2 3 322.541 2.041 20 0 DEADHP CC(C)(C)CC[C@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000904388023 643658018 /nfs/dbraw/zinc/65/80/18/643658018.db2.gz AIBOASSETDZGGY-RYQLBKOJSA-N 2 3 322.541 2.041 20 0 DEADHP CC(C)(C)CC[C@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000904388023 643658022 /nfs/dbraw/zinc/65/80/22/643658022.db2.gz AIBOASSETDZGGY-RYQLBKOJSA-N 2 3 322.541 2.041 20 0 DEADHP CC[NH+](CC)CCOCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925647250 693315785 /nfs/dbraw/zinc/31/57/85/693315785.db2.gz AZXPWTKKCYUAQU-QZTJIDSGSA-N 2 3 311.514 2.103 20 0 DEADHP CCN1C[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]2C1 ZINC001168002695 779253305 /nfs/dbraw/zinc/25/33/05/779253305.db2.gz UULXVGRRSAVYJK-ZWRCUJBNSA-N 2 3 303.494 2.275 20 0 DEADHP CCN1C[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]2C1 ZINC001168002695 779253313 /nfs/dbraw/zinc/25/33/13/779253313.db2.gz UULXVGRRSAVYJK-ZWRCUJBNSA-N 2 3 303.494 2.275 20 0 DEADHP C[C@@H]1C[N@@H+](CC2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC001553304900 1074835040 /nfs/dbraw/zinc/83/50/40/1074835040.db2.gz NNTGIZKJNXTGHE-ZIFCJYIRSA-N 2 3 323.525 2.197 20 0 DEADHP C[C@@H]1C[N@H+](CC2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC001553304900 1074835041 /nfs/dbraw/zinc/83/50/41/1074835041.db2.gz NNTGIZKJNXTGHE-ZIFCJYIRSA-N 2 3 323.525 2.197 20 0 DEADHP C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246137430 1140865564 /nfs/dbraw/zinc/86/55/64/1140865564.db2.gz WCVLYBWSRRIISV-SJORKVTESA-N 2 3 321.509 2.332 20 0 DEADHP CC(C)(C)[C@@H]1C[C@@H](NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)CC[NH2+]1 ZINC001246171341 1140870027 /nfs/dbraw/zinc/87/00/27/1140870027.db2.gz JHHLZSYOPDHXBE-ULQDDVLXSA-N 2 3 323.525 2.292 20 0 DEADHP C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246246572 1140877264 /nfs/dbraw/zinc/87/72/64/1140877264.db2.gz IYJJPZPPCALSBT-DLBZAZTESA-N 2 3 321.509 2.190 20 0 DEADHP C[C@@H]1CC([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)C[C@@H](C)N1 ZINC001246416279 1140895766 /nfs/dbraw/zinc/89/57/66/1140895766.db2.gz SNJDQXSCORANER-HZPDHXFCSA-N 2 3 316.493 2.113 20 0 DEADHP CC[C@H]1C[C@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CCN1 ZINC001246423356 1140896894 /nfs/dbraw/zinc/89/68/94/1140896894.db2.gz ZNLJKPFWHQCGDJ-DLBZAZTESA-N 2 3 316.493 2.114 20 0 DEADHP C[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3)CC[NH2+]CC2)CCN1 ZINC001246432628 1140897792 /nfs/dbraw/zinc/89/77/92/1140897792.db2.gz CVHDBBOSVYETST-WMZOPIPTSA-N 2 3 301.478 2.329 20 0 DEADHP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(OCCN(C)C)cc1 ZINC000584834068 357318192 /nfs/dbraw/zinc/31/81/92/357318192.db2.gz RXPIXWCXKVFNTK-HNNXBMFYSA-N 2 3 305.466 2.277 20 0 DEADHP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422794602 405682223 /nfs/dbraw/zinc/68/22/23/405682223.db2.gz UNGODYGPVQIBKK-KFKAGJAMSA-N 2 3 319.493 2.370 20 0 DEADHP C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643452395 407001267 /nfs/dbraw/zinc/00/12/67/407001267.db2.gz PKRKDXVAVBIARQ-KZNAEPCWSA-N 2 3 322.541 2.055 20 0 DEADHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)C1 ZINC000652350426 425245322 /nfs/dbraw/zinc/24/53/22/425245322.db2.gz XVXYNPGUPPRHSY-KSZLIROESA-N 2 3 309.498 2.081 20 0 DEADHP C[C@H](N)[C@H]1COCC[C@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000333893027 269001519 /nfs/dbraw/zinc/00/15/19/269001519.db2.gz YMTDQGOKTDNACM-VWPKTGOWSA-N 2 3 323.525 2.371 20 0 DEADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422860216 528836724 /nfs/dbraw/zinc/83/67/24/528836724.db2.gz LANFEKULNWITIA-IPELMVKDSA-N 2 3 319.493 2.369 20 0 DEADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422860216 528836728 /nfs/dbraw/zinc/83/67/28/528836728.db2.gz LANFEKULNWITIA-IPELMVKDSA-N 2 3 319.493 2.369 20 0 DEADHP CC1(C)[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925718555 633490758 /nfs/dbraw/zinc/49/07/58/633490758.db2.gz YJUWXZHBCSUOEE-FGTMMUONSA-N 2 3 305.510 2.475 20 0 DEADHP C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)C1CC[NH+](C)CC1 ZINC000903381847 643335416 /nfs/dbraw/zinc/33/54/16/643335416.db2.gz AEYOSFNGGRMDJU-CRAIPNDOSA-N 2 3 304.482 2.394 20 0 DEADHP C[C@@H](NCCC[NH+]1CCC(O)CC1)c1cccc(C[NH+](C)C)c1 ZINC000820808128 647921966 /nfs/dbraw/zinc/92/19/66/647921966.db2.gz YYEMOTLWPXYYPN-MRXNPFEDSA-N 2 3 319.493 2.246 20 0 DEADHP CC1([NH+]2CCCC2)CCC(N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925824935 693348069 /nfs/dbraw/zinc/34/80/69/693348069.db2.gz XCCTWXNSMNOEGB-LEDFQWPDSA-N 2 3 303.494 2.370 20 0 DEADHP CCN(CC)Cc1cc(NC(=[NH2+])NCCCC[NH3+])ccc1OC ZINC001167884254 778747516 /nfs/dbraw/zinc/74/75/16/778747516.db2.gz UDJHKQYPJOZAAR-UHFFFAOYSA-N 2 3 321.469 2.212 20 0 DEADHP CCC[NH+](CCC)CCN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001207398716 800743997 /nfs/dbraw/zinc/74/39/97/800743997.db2.gz KNPCQDWJNPDAQP-UHFFFAOYSA-N 2 3 324.557 2.068 20 0 DEADHP c1cc(N2CCC[N@@H+](CCCC3CC[NH2+]CC3)CC2)ccn1 ZINC001580891122 1076016886 /nfs/dbraw/zinc/01/68/86/1076016886.db2.gz RKKVLDDGFUYKBJ-UHFFFAOYSA-N 2 3 302.466 2.374 20 0 DEADHP c1cc(N2CCC[N@H+](CCCC3CC[NH2+]CC3)CC2)ccn1 ZINC001580891122 1076016890 /nfs/dbraw/zinc/01/68/90/1076016890.db2.gz RKKVLDDGFUYKBJ-UHFFFAOYSA-N 2 3 302.466 2.374 20 0 DEADHP CCCC[C@@H]1C[C@H]([NH2+]C[C@H]2COC3(C2)CC[NH2+]CC3)CCN1 ZINC001246127398 1140863639 /nfs/dbraw/zinc/86/36/39/1140863639.db2.gz PBYOHZNLWINDSU-GVDBMIGSSA-N 2 3 309.498 2.046 20 0 DEADHP CC[C@@H]1C[C@@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](CC)[NH2+]1 ZINC001246249108 1140877516 /nfs/dbraw/zinc/87/75/16/1140877516.db2.gz QEBHBZHETNZPKQ-YVSFHVDLSA-N 2 3 309.498 2.044 20 0 DEADHP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCOC3(CC[NH2+]CC3)C2)CCN1 ZINC001246256074 1140878341 /nfs/dbraw/zinc/87/83/41/1140878341.db2.gz NLQNVYRIOMRJOE-PMPSAXMXSA-N 2 3 309.498 2.044 20 0 DEADHP C[C@H]1CC([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246422262 1140897173 /nfs/dbraw/zinc/89/71/73/1140897173.db2.gz SNJDQXSCORANER-HOTGVXAUSA-N 2 3 316.493 2.113 20 0 DEADHP [NH3+]CCCC[NH2+]CCCN[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001246458907 1140908679 /nfs/dbraw/zinc/90/86/79/1140908679.db2.gz WPEWDQXNBQESBD-HNNXBMFYSA-N 2 3 311.420 2.130 20 0 DEADHP C[C@@H]1C[C@H]([N@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CCN1 ZINC001246705690 1141039424 /nfs/dbraw/zinc/03/94/24/1141039424.db2.gz AXYXFWYURXDARZ-OAGGEKHMSA-N 2 3 309.498 2.139 20 0 DEADHP C[C@@H]1C[C@H]([N@@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CCN1 ZINC001246705690 1141039434 /nfs/dbraw/zinc/03/94/34/1141039434.db2.gz AXYXFWYURXDARZ-OAGGEKHMSA-N 2 3 309.498 2.139 20 0 DEADHP c1csc(C[N@H+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@H]3C2)c1 ZINC001246710249 1141039536 /nfs/dbraw/zinc/03/95/36/1141039536.db2.gz VSGFMFHIBLMEHT-SJJOOFSGSA-N 2 3 317.502 2.395 20 0 DEADHP c1csc(C[N@@H+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH2+]5)C[C@H]3C2)c1 ZINC001246710249 1141039542 /nfs/dbraw/zinc/03/95/42/1141039542.db2.gz VSGFMFHIBLMEHT-SJJOOFSGSA-N 2 3 317.502 2.395 20 0 DEADHP C[C@H]1C[C@H](NC(=[NH2+])SCC[NH3+])CCN1Cc1ccccc1 ZINC001256522718 1143851494 /nfs/dbraw/zinc/85/14/94/1143851494.db2.gz IWJATDZKMCAEAP-DZGCQCFKSA-N 2 3 306.479 2.256 20 0 DEADHP CN1CCCC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000628425180 366846956 /nfs/dbraw/zinc/84/69/56/366846956.db2.gz COJXGMSGLMWHAX-MRXNPFEDSA-N 2 3 302.466 2.372 20 0 DEADHP C[NH2+]CCC1CC[NH+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000647509948 407009884 /nfs/dbraw/zinc/00/98/84/407009884.db2.gz HJYWFQNEQYDKFK-UHFFFAOYSA-N 2 3 319.493 2.449 20 0 DEADHP C[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)CN(C)C ZINC000644414858 407124733 /nfs/dbraw/zinc/12/47/33/407124733.db2.gz IDSQQZBGMIIBNC-QGZVFWFLSA-N 2 3 319.493 2.449 20 0 DEADHP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)C1 ZINC000652350428 425244126 /nfs/dbraw/zinc/24/41/26/425244126.db2.gz XVXYNPGUPPRHSY-KZNAEPCWSA-N 2 3 309.498 2.081 20 0 DEADHP Cc1nc(NCC[C@@H](C)[NH+](C)C)cc(NCC[C@H](C)[NH+](C)C)n1 ZINC000664243541 425343444 /nfs/dbraw/zinc/34/34/44/425343444.db2.gz LZDBLCJOFMZHEB-OKILXGFUSA-N 2 3 322.501 2.289 20 0 DEADHP C[C@@H](NCC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000665240828 425526808 /nfs/dbraw/zinc/52/68/08/425526808.db2.gz TXNMNRGLSVOPNY-QAPCUYQASA-N 2 3 302.466 2.024 20 0 DEADHP C(CC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1)C[NH+]1CCCC1 ZINC000662280189 425611675 /nfs/dbraw/zinc/61/16/75/425611675.db2.gz YNDFQFDARYAWPZ-GOSISDBHSA-N 2 3 321.509 2.095 20 0 DEADHP CCN1CC[C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422697471 276221631 /nfs/dbraw/zinc/22/16/31/276221631.db2.gz URIGCHFGVLQZKA-SUMDDJOVSA-N 2 3 315.461 2.174 20 0 DEADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422860218 279384907 /nfs/dbraw/zinc/38/49/07/279384907.db2.gz LANFEKULNWITIA-SNRMKQJTSA-N 2 3 319.493 2.369 20 0 DEADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422860218 279384908 /nfs/dbraw/zinc/38/49/08/279384908.db2.gz LANFEKULNWITIA-SNRMKQJTSA-N 2 3 319.493 2.369 20 0 DEADHP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000447591970 533858712 /nfs/dbraw/zinc/85/87/12/533858712.db2.gz JMFFEVRJHCMPNZ-HKUYNNGSSA-N 2 3 319.493 2.065 20 0 DEADHP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000422906695 528834913 /nfs/dbraw/zinc/83/49/13/528834913.db2.gz AFQZSKPHZSNDDP-IPELMVKDSA-N 2 3 319.493 2.369 20 0 DEADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000422906695 528834914 /nfs/dbraw/zinc/83/49/14/528834914.db2.gz AFQZSKPHZSNDDP-IPELMVKDSA-N 2 3 319.493 2.369 20 0 DEADHP C[NH+]1CCC(C[NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000895346537 637952241 /nfs/dbraw/zinc/95/22/41/637952241.db2.gz IEYYVFLJZFFUAB-UHFFFAOYSA-N 2 3 316.493 2.225 20 0 DEADHP CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000925300211 640737956 /nfs/dbraw/zinc/73/79/56/640737956.db2.gz ITIQESMLIRORGV-JJTKIYQPSA-N 2 3 314.477 2.228 20 0 DEADHP CN1CCCC[C@H](C[NH2+]C2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001423325782 1173243548 /nfs/dbraw/zinc/24/35/48/1173243548.db2.gz FCOCBFKKNORLLQ-LMDPOFIKSA-N 2 3 323.525 2.341 20 0 DEADHP CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])C2 ZINC001169114790 785059554 /nfs/dbraw/zinc/05/95/54/785059554.db2.gz YOCGNWIRQDCMFR-MUJYYYPQSA-N 2 3 310.530 2.087 20 0 DEADHP C[C@H]1[C@@H](C[NH3+])CCCN1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001205914817 800443728 /nfs/dbraw/zinc/44/37/28/800443728.db2.gz OADRMWWTPMSLFD-LSDHHAIUSA-N 2 3 312.461 2.304 20 0 DEADHP Cc1c[nH+]ccc1N1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207488040 800766251 /nfs/dbraw/zinc/76/62/51/800766251.db2.gz CUGMKIIEDHWJRM-UHFFFAOYSA-N 2 3 302.466 2.244 20 0 DEADHP CC[NH+]1CCC(CN2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC001208602614 801025047 /nfs/dbraw/zinc/02/50/47/801025047.db2.gz JYMDCSZLLBWIJI-UHFFFAOYSA-N 2 3 302.466 2.244 20 0 DEADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@H]2CCCCN2)C2CCOCC2)CC1 ZINC001236551315 1138373138 /nfs/dbraw/zinc/37/31/38/1138373138.db2.gz CZPJECMVHRSQGJ-BRWVUGGUSA-N 2 3 309.498 2.270 20 0 DEADHP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@H]2CCCCN2)C2CCOCC2)CC1 ZINC001236551315 1138373131 /nfs/dbraw/zinc/37/31/31/1138373131.db2.gz CZPJECMVHRSQGJ-BRWVUGGUSA-N 2 3 309.498 2.270 20 0 DEADHP c1cncc([C@H]2NCC[C@@H]2C[NH2+]C2CCC3(CC[NH2+]C3)CC2)c1 ZINC001246341103 1140885854 /nfs/dbraw/zinc/88/58/54/1140885854.db2.gz ONEGIZUHMZYPNG-TXQGORRRSA-N 2 3 314.477 2.244 20 0 DEADHP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)CCN1 ZINC001246364518 1140888611 /nfs/dbraw/zinc/88/86/11/1140888611.db2.gz HPEFASVEDGHHAV-WBVHZDCISA-N 2 3 302.466 2.024 20 0 DEADHP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)CCN1 ZINC001246363664 1140888803 /nfs/dbraw/zinc/88/88/03/1140888803.db2.gz FRWRHBGXPSLFIF-QAPCUYQASA-N 2 3 302.466 2.024 20 0 DEADHP C[C@@H]1C[C@H](N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246403473 1140894603 /nfs/dbraw/zinc/89/46/03/1140894603.db2.gz MPCSMVKIQKLALR-VDHUWJSZSA-N 2 3 302.466 2.294 20 0 DEADHP C[C@@H]1C[C@@H](N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246403470 1140894791 /nfs/dbraw/zinc/89/47/91/1140894791.db2.gz MPCSMVKIQKLALR-DDBAPUKQSA-N 2 3 302.466 2.294 20 0 DEADHP C1C[NH2+]C[C@@]2(C1)COCCN(C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246643803 1141020552 /nfs/dbraw/zinc/02/05/52/1141020552.db2.gz DCCNXQQANPNQKB-LJQANCHMSA-N 2 3 321.509 2.001 20 0 DEADHP CC(C)(C)[C@@H]1C[C@@H](N2CCC(OC3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246657926 1141027382 /nfs/dbraw/zinc/02/73/82/1141027382.db2.gz ANOZZZUHEPGQPB-YJBOKZPZSA-N 2 3 323.525 2.386 20 0 DEADHP F[C@H]1CCNC[C@@]12CC[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246685778 1141035806 /nfs/dbraw/zinc/03/58/06/1141035806.db2.gz BXBMLMLSAVUHEW-JYSRZZCRSA-N 2 3 309.473 2.322 20 0 DEADHP F[C@H]1CCNC[C@@]12CC[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246685778 1141035814 /nfs/dbraw/zinc/03/58/14/1141035814.db2.gz BXBMLMLSAVUHEW-JYSRZZCRSA-N 2 3 309.473 2.322 20 0 DEADHP Fc1cccc(C[N@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)c1 ZINC001246941546 1141151609 /nfs/dbraw/zinc/15/16/09/1141151609.db2.gz KPQWMRQSKBPCDZ-MNZLEMJZSA-N 2 3 317.452 2.378 20 0 DEADHP Fc1cccc(C[N@@H+]([C@@H]2C[C@H]3C[NH2+]C[C@H]3C2)C2CCNCC2)c1 ZINC001246941546 1141151639 /nfs/dbraw/zinc/15/16/39/1141151639.db2.gz KPQWMRQSKBPCDZ-MNZLEMJZSA-N 2 3 317.452 2.378 20 0 DEADHP C(CC[NH+]1CCCC1)C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256677356 1143861419 /nfs/dbraw/zinc/86/14/19/1143861419.db2.gz DKTUIMRDNMDOBI-UHFFFAOYSA-N 2 3 309.498 2.095 20 0 DEADHP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(OCCN(C)C)cc1 ZINC000584834069 357317947 /nfs/dbraw/zinc/31/79/47/357317947.db2.gz RXPIXWCXKVFNTK-OAHLLOKOSA-N 2 3 305.466 2.277 20 0 DEADHP C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000675784574 541382438 /nfs/dbraw/zinc/38/24/38/541382438.db2.gz ZGMFRXOIFAWYHT-BRWVUGGUSA-N 2 3 311.514 2.196 20 0 DEADHP C[C@@H]1C[C@H](CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000414711936 404714539 /nfs/dbraw/zinc/71/45/39/404714539.db2.gz IHTGLKRZUVSXOG-LMMKCTJWSA-N 2 3 316.493 2.414 20 0 DEADHP COc1ccc([C@H](CN)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420308831 405313987 /nfs/dbraw/zinc/31/39/87/405313987.db2.gz DNHYOMVKOVYVHW-ZWKOTPCHSA-N 2 3 317.477 2.059 20 0 DEADHP C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000647509015 407009282 /nfs/dbraw/zinc/00/92/82/407009282.db2.gz FTBWUSYQAIXWAR-SJLPKXTDSA-N 2 3 317.477 2.330 20 0 DEADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(O)CC[NH+](C)CC2)CC1 ZINC000358649297 287311032 /nfs/dbraw/zinc/31/10/32/287311032.db2.gz KMOLEDDYPAGXGM-SJLPKXTDSA-N 2 3 323.525 2.076 20 0 DEADHP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCC[NH+]2CCCCC2)C1 ZINC000652363799 425250288 /nfs/dbraw/zinc/25/02/88/425250288.db2.gz NVFSXLHDNIRRRA-FGTMMUONSA-N 2 3 309.498 2.223 20 0 DEADHP COc1ccc([C@@H](CN)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424288098 295212033 /nfs/dbraw/zinc/21/20/33/295212033.db2.gz KDIDYZYCKVTCAX-WBVHZDCISA-N 2 3 317.477 2.202 20 0 DEADHP COc1ccc([C@@H](CN)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424288098 295212034 /nfs/dbraw/zinc/21/20/34/295212034.db2.gz KDIDYZYCKVTCAX-WBVHZDCISA-N 2 3 317.477 2.202 20 0 DEADHP [NH3+]CC1(c2ccccc2)CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903791434 643457287 /nfs/dbraw/zinc/45/72/87/643457287.db2.gz XLLXAXRVYREUTH-QGZVFWFLSA-N 2 3 301.478 2.369 20 0 DEADHP CC[NH+](CC)CCOCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925647253 693316264 /nfs/dbraw/zinc/31/62/64/693316264.db2.gz AZXPWTKKCYUAQU-ZWKOTPCHSA-N 2 3 311.514 2.103 20 0 DEADHP CC(C)N1CC[C@H](C[NH2+]C2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC001363901681 1153707454 /nfs/dbraw/zinc/70/74/54/1153707454.db2.gz HSWSDGKPRIJROP-LMDPOFIKSA-N 2 3 323.525 2.340 20 0 DEADHP CN(C)C1(CNc2cccc3c2CC[C@@H]3[NH3+])CC[NH+](C)CC1 ZINC001164216460 799541716 /nfs/dbraw/zinc/54/17/16/799541716.db2.gz CGHPXGDUWDTVMZ-INIZCTEOSA-N 2 3 302.466 2.071 20 0 DEADHP c1ccc([C@]23CCNC[C@H]2C[N@H+](CC2CC[NH2+]CC2)CC3)cc1 ZINC001235362049 1084407229 /nfs/dbraw/zinc/40/72/29/1084407229.db2.gz KBQWZMYFUBWPOV-VQTJNVASSA-N 2 3 313.489 2.239 20 0 DEADHP c1ccc([C@]23CCNC[C@H]2C[N@@H+](CC2CC[NH2+]CC2)CC3)cc1 ZINC001235362049 1084407230 /nfs/dbraw/zinc/40/72/30/1084407230.db2.gz KBQWZMYFUBWPOV-VQTJNVASSA-N 2 3 313.489 2.239 20 0 DEADHP c1ccc([C@@]23CCNC[C@@H]2C[N@H+](CC2CC[NH2+]CC2)CC3)cc1 ZINC001235362047 1084407277 /nfs/dbraw/zinc/40/72/77/1084407277.db2.gz KBQWZMYFUBWPOV-UXHICEINSA-N 2 3 313.489 2.239 20 0 DEADHP c1ccc([C@@]23CCNC[C@@H]2C[N@@H+](CC2CC[NH2+]CC2)CC3)cc1 ZINC001235362047 1084407278 /nfs/dbraw/zinc/40/72/78/1084407278.db2.gz KBQWZMYFUBWPOV-UXHICEINSA-N 2 3 313.489 2.239 20 0 DEADHP [NH3+]CCCCC[N@@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235368957 1084410459 /nfs/dbraw/zinc/41/04/59/1084410459.db2.gz XMVKHDDRPMGRFI-OALUTQOASA-N 2 3 301.478 2.369 20 0 DEADHP [NH3+]CCCCC[N@H+]1CC[C@]2(c3ccccc3)CCNC[C@H]2C1 ZINC001235368957 1084410462 /nfs/dbraw/zinc/41/04/62/1084410462.db2.gz XMVKHDDRPMGRFI-OALUTQOASA-N 2 3 301.478 2.369 20 0 DEADHP CCN(Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@H]1CC[NH2+]C1 ZINC001236410595 1138359055 /nfs/dbraw/zinc/35/90/55/1138359055.db2.gz HPUCSYATLRPROF-HNNXBMFYSA-N 2 3 312.461 2.176 20 0 DEADHP CCCC[C@@H]1C[C@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]1 ZINC001246247353 1140877900 /nfs/dbraw/zinc/87/79/00/1140877900.db2.gz KZVAXEYNQQFUCK-BRWVUGGUSA-N 2 3 309.498 2.046 20 0 DEADHP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)CCN1 ZINC001246364517 1140888964 /nfs/dbraw/zinc/88/89/64/1140888964.db2.gz HPEFASVEDGHHAV-RDJZCZTQSA-N 2 3 302.466 2.024 20 0 DEADHP C[NH2+]C1CCC(NC2(c3cccc(OC)c3)CC[NH2+]CC2)CC1 ZINC001246416542 1140896160 /nfs/dbraw/zinc/89/61/60/1140896160.db2.gz RUECIPSRISCHJE-UHFFFAOYSA-N 2 3 317.477 2.394 20 0 DEADHP Clc1ccccc1C1(C[NH2+]C2CCNCC2)CC[NH2+]CC1 ZINC001246449775 1140904230 /nfs/dbraw/zinc/90/42/30/1140904230.db2.gz IDTLIQWZYHUGBK-UHFFFAOYSA-N 2 3 307.869 2.303 20 0 DEADHP Clc1ccccc1C1(CNC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246449775 1140904269 /nfs/dbraw/zinc/90/42/69/1140904269.db2.gz IDTLIQWZYHUGBK-UHFFFAOYSA-N 2 3 307.869 2.303 20 0 DEADHP C(C[NH+]1CCCC1)OCC1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246543950 1140951532 /nfs/dbraw/zinc/95/15/32/1140951532.db2.gz UPYNCKWLDHPSSV-DFNIBXOVSA-N 2 3 321.509 2.094 20 0 DEADHP c1ccc(C[C@H]2C[C@@H]([NH+]3CC4(C3)CCC[NH2+]CC4)CCN2)cc1 ZINC001246852434 1141087236 /nfs/dbraw/zinc/08/72/36/1141087236.db2.gz DQGMMIHVKWBDQP-OALUTQOASA-N 2 3 313.489 2.425 20 0 DEADHP C[C@@H]1C[C@H](NC(=[NH2+])SCC[NH3+])CCN1Cc1ccccc1 ZINC001256522722 1143851869 /nfs/dbraw/zinc/85/18/69/1143851869.db2.gz IWJATDZKMCAEAP-UKRRQHHQSA-N 2 3 306.479 2.256 20 0 DEADHP C[C@@H](N)[C@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876606 533002540 /nfs/dbraw/zinc/00/25/40/533002540.db2.gz GMUPQDJONNOXLZ-CWQOZTLDSA-N 2 3 311.514 2.086 20 0 DEADHP C[C@@H](N)[C@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876606 533002544 /nfs/dbraw/zinc/00/25/44/533002544.db2.gz GMUPQDJONNOXLZ-CWQOZTLDSA-N 2 3 311.514 2.086 20 0 DEADHP C[C@H]1CN(CCC2CC[NH+](CC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000178982408 402562028 /nfs/dbraw/zinc/56/20/28/402562028.db2.gz AHHMEUJMVJZUGY-IRXDYDNUSA-N 2 3 323.525 2.197 20 0 DEADHP C[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CN1CCCC1 ZINC000298441269 403382641 /nfs/dbraw/zinc/38/26/41/403382641.db2.gz NMXKWZFPYPQHOD-INIZCTEOSA-N 2 3 302.466 2.372 20 0 DEADHP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CNC1 ZINC000423005430 405694714 /nfs/dbraw/zinc/69/47/14/405694714.db2.gz SBWOPJGJOBUTOU-XYJFISCASA-N 2 3 301.478 2.485 20 0 DEADHP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CNC1 ZINC000423005430 405694724 /nfs/dbraw/zinc/69/47/24/405694724.db2.gz SBWOPJGJOBUTOU-XYJFISCASA-N 2 3 301.478 2.485 20 0 DEADHP [NH3+][C@@H]1C[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)c2ccccc21 ZINC000635013317 406399175 /nfs/dbraw/zinc/39/91/75/406399175.db2.gz XVGOKYKDCSMQBG-SJORKVTESA-N 2 3 309.417 2.048 20 0 DEADHP CN(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647789468 407051113 /nfs/dbraw/zinc/05/11/13/407051113.db2.gz GCMYUFKYPJHJTG-OKZBNKHCSA-N 2 3 317.477 2.105 20 0 DEADHP C[NH+](C)CCOc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422746726 230189082 /nfs/dbraw/zinc/18/90/82/230189082.db2.gz XBICVHQFXPOOHP-JWTNVVGKSA-N 2 3 317.477 2.042 20 0 DEADHP Cc1nc(N[C@H](C)CC[NH+](C)C)cc(N[C@@H](C)CC[NH+](C)C)n1 ZINC000533560306 421678363 /nfs/dbraw/zinc/67/83/63/421678363.db2.gz HOHUTJWKJMMHJP-OKILXGFUSA-N 2 3 322.501 2.289 20 0 DEADHP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000447591973 533860390 /nfs/dbraw/zinc/86/03/90/533860390.db2.gz JMFFEVRJHCMPNZ-PKOBYXMFSA-N 2 3 319.493 2.065 20 0 DEADHP CN1CCN(CC2(C)CC[NH+](CCCCCCC[NH3+])CC2)CC1 ZINC000842476050 650748293 /nfs/dbraw/zinc/74/82/93/650748293.db2.gz FGGIKGJSLGOKSN-UHFFFAOYSA-N 2 3 324.557 2.245 20 0 DEADHP NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333493 643639225 /nfs/dbraw/zinc/63/92/25/643639225.db2.gz ARKKFEVNPZFSSO-YRXWBPOGSA-N 2 3 301.478 2.396 20 0 DEADHP NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333493 643639228 /nfs/dbraw/zinc/63/92/28/643639228.db2.gz ARKKFEVNPZFSSO-YRXWBPOGSA-N 2 3 301.478 2.396 20 0 DEADHP COC1CCN(C2CC[NH+](CCC3CC[NH+](C)CC3)CC2)CC1 ZINC001207487976 800766301 /nfs/dbraw/zinc/76/63/01/800766301.db2.gz AKGWRNRPGREWMB-UHFFFAOYSA-N 2 3 323.525 2.294 20 0 DEADHP CC(C)P(CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+])C(C)C ZINC001221253966 802543780 /nfs/dbraw/zinc/54/37/80/802543780.db2.gz CNDPLVKEQFDMFR-AWEZNQCLSA-N 2 3 303.431 2.248 20 0 DEADHP c1c[nH]c(CN2CC[C@H]3C[N@H+](CC4CC[NH2+]CC4)C[C@H]3CC2)c1 ZINC001276714099 1083566003 /nfs/dbraw/zinc/56/60/03/1083566003.db2.gz PWRWPIOWRYVALN-HDICACEKSA-N 2 3 316.493 2.158 20 0 DEADHP c1c[nH]c(CN2CC[C@H]3C[N@@H+](CC4CC[NH2+]CC4)C[C@H]3CC2)c1 ZINC001276714099 1083566014 /nfs/dbraw/zinc/56/60/14/1083566014.db2.gz PWRWPIOWRYVALN-HDICACEKSA-N 2 3 316.493 2.158 20 0 DEADHP CC(C)(C)[C@@H]1C[C@H](NC[C@H]2CCC3(CC[NH2+]CC3)CO2)CC[NH2+]1 ZINC001246171342 1140869879 /nfs/dbraw/zinc/86/98/79/1140869879.db2.gz JHHLZSYOPDHXBE-ZACQAIPSSA-N 2 3 323.525 2.292 20 0 DEADHP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)CCN1 ZINC001246364515 1140888496 /nfs/dbraw/zinc/88/84/96/1140888496.db2.gz HPEFASVEDGHHAV-DOTOQJQBSA-N 2 3 302.466 2.024 20 0 DEADHP CC(C)[C@H]1C[C@H](NCC2(c3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246426016 1140897355 /nfs/dbraw/zinc/89/73/55/1140897355.db2.gz FGHCXUZCWKNONK-IAGOWNOFSA-N 2 3 316.493 2.069 20 0 DEADHP C[NH+]1CCC(CCC[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256684560 1143862179 /nfs/dbraw/zinc/86/21/79/1143862179.db2.gz SZOPZTIPHFIGIE-UHFFFAOYSA-N 2 3 323.525 2.341 20 0 DEADHP CC[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422998625 529593169 /nfs/dbraw/zinc/59/31/69/529593169.db2.gz WMFDWRMPZKTSOI-ROUUACIJSA-N 2 3 302.466 2.418 20 0 DEADHP C[C@@H]([NH2+]Cc1ccccc1OCCN(C)C)C1CC[NH+](C)CC1 ZINC000122405821 539461270 /nfs/dbraw/zinc/46/12/70/539461270.db2.gz XCBMUGQBNAIXDP-MRXNPFEDSA-N 2 3 319.493 2.447 20 0 DEADHP C[C@H]1CN(CC2CC[NH+](CCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000359207293 404786758 /nfs/dbraw/zinc/78/67/58/404786758.db2.gz ARAPZYKZWSMSMN-IRXDYDNUSA-N 2 3 323.525 2.197 20 0 DEADHP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(OCCN(C)C)c1 ZINC000423328285 405763567 /nfs/dbraw/zinc/76/35/67/405763567.db2.gz AOYNBVPWPCVINU-OAHLLOKOSA-N 2 3 303.450 2.197 20 0 DEADHP C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422811376 230219952 /nfs/dbraw/zinc/21/99/52/230219952.db2.gz UNUPLDGECOILTM-KFKAGJAMSA-N 2 3 317.477 2.124 20 0 DEADHP CN(C)CCOc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000657182841 425275436 /nfs/dbraw/zinc/27/54/36/425275436.db2.gz NVHQVWNNLKLJMF-GOSISDBHSA-N 2 3 319.493 2.449 20 0 DEADHP CN(C)CCOc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000657182841 425275439 /nfs/dbraw/zinc/27/54/39/425275439.db2.gz NVHQVWNNLKLJMF-GOSISDBHSA-N 2 3 319.493 2.449 20 0 DEADHP CC1CC[NH+](CCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422883613 278539777 /nfs/dbraw/zinc/53/97/77/278539777.db2.gz QWRIDDWGZHRWQX-GUDVDZBRSA-N 2 3 323.525 2.245 20 0 DEADHP C[C@@H]1CN(CCC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000420323697 288156758 /nfs/dbraw/zinc/15/67/58/288156758.db2.gz UNQOQSCTERYZHC-LMMKCTJWSA-N 2 3 323.525 2.197 20 0 DEADHP CC(C)[NH+]1CCC(O)(CNC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000358774354 535163718 /nfs/dbraw/zinc/16/37/18/535163718.db2.gz MXIUJHYEJRZDQY-UHFFFAOYSA-N 2 3 311.514 2.074 20 0 DEADHP CC(C)C1=NCCc2ccc(NC(=[NH2+])NCCCC[NH3+])cc21 ZINC001167883213 778746679 /nfs/dbraw/zinc/74/66/79/778746679.db2.gz DDRKKUNWGANVPC-UHFFFAOYSA-N 2 3 301.438 2.363 20 0 DEADHP C[NH+](C)CCOc1ccc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001138770582 796272312 /nfs/dbraw/zinc/27/23/12/796272312.db2.gz KOWFTDPZJYRHGX-MSOLQXFVSA-N 2 3 317.477 2.011 20 0 DEADHP C[NH+](C)CCOc1ccc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc1 ZINC001138770582 796272317 /nfs/dbraw/zinc/27/23/17/796272317.db2.gz KOWFTDPZJYRHGX-MSOLQXFVSA-N 2 3 317.477 2.011 20 0 DEADHP CN(C)C1(CNc2cccc3c2CC[C@H]3[NH3+])CC[NH+](C)CC1 ZINC001164216461 799541533 /nfs/dbraw/zinc/54/15/33/799541533.db2.gz CGHPXGDUWDTVMZ-MRXNPFEDSA-N 2 3 302.466 2.071 20 0 DEADHP CC[NH+](CC)CCCN1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207483870 800765339 /nfs/dbraw/zinc/76/53/39/800765339.db2.gz IUZLWQWKYHHSSL-UHFFFAOYSA-N 2 3 324.557 2.068 20 0 DEADHP c1c(C[N@@H+]2CCCC23CCNCC3)c2cccc3c2n1CC[NH2+]C3 ZINC001235145921 1084326812 /nfs/dbraw/zinc/32/68/12/1084326812.db2.gz YIPMZZWVQPUKPC-UHFFFAOYSA-N 2 3 324.472 2.463 20 0 DEADHP c1c(C[N@H+]2CCCC23CCNCC3)c2cccc3c2n1CC[NH2+]C3 ZINC001235145921 1084326831 /nfs/dbraw/zinc/32/68/31/1084326831.db2.gz YIPMZZWVQPUKPC-UHFFFAOYSA-N 2 3 324.472 2.463 20 0 DEADHP [NH3+][C@H]1CC[C@H](N(Cc2cccnc2)CC2(F)CC[NH2+]CC2)CC1 ZINC001236565159 1138376768 /nfs/dbraw/zinc/37/67/68/1138376768.db2.gz WTIVYOZFZDXDBK-QAQDUYKDSA-N 2 3 320.456 2.245 20 0 DEADHP CC(C)(C)[C@@H]1C[C@@H](NC[C@H]2CCC3(CC[NH2+]CC3)CO2)CC[NH2+]1 ZINC001246171339 1140869630 /nfs/dbraw/zinc/86/96/30/1140869630.db2.gz JHHLZSYOPDHXBE-BBWFWOEESA-N 2 3 323.525 2.292 20 0 DEADHP Clc1ccc(C2(C[NH2+]C3CCNCC3)CC[NH2+]CC2)cc1 ZINC001246343468 1140885891 /nfs/dbraw/zinc/88/58/91/1140885891.db2.gz VDIWTMMVYCUKJA-UHFFFAOYSA-N 2 3 307.869 2.303 20 0 DEADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CCN1 ZINC001246387090 1140892626 /nfs/dbraw/zinc/89/26/26/1140892626.db2.gz UZELHKCVNKELBO-QAPCUYQASA-N 2 3 319.468 2.468 20 0 DEADHP [NH3+]CCCC[NH2+]CCCN[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001246456671 1140907380 /nfs/dbraw/zinc/90/73/80/1140907380.db2.gz LBZPOEKMXNQZLT-ZWKOTPCHSA-N 2 3 305.466 2.215 20 0 DEADHP Cc1cc(F)ccc1[C@H]1C[C@H](N2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])CC[NH2+]1 ZINC001246664480 1141029069 /nfs/dbraw/zinc/02/90/69/1141029069.db2.gz YBBQRTNUJOZGGS-DNDFJUTLSA-N 2 3 303.425 2.349 20 0 DEADHP C([C@H]1CCCNC1)[N@H+](C1CCCC1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246933429 1141142316 /nfs/dbraw/zinc/14/23/16/1141142316.db2.gz IPMPPOUZZKYFDI-GOEBONIOSA-N 2 3 309.523 2.078 20 0 DEADHP C([C@H]1CCCNC1)[N@@H+](C1CCCC1)[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246933429 1141142352 /nfs/dbraw/zinc/14/23/52/1141142352.db2.gz IPMPPOUZZKYFDI-GOEBONIOSA-N 2 3 309.523 2.078 20 0 DEADHP CC[NH+](CC)CC[C@H](C)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001255970479 1143817781 /nfs/dbraw/zinc/81/77/81/1143817781.db2.gz CMSQFFYGZRKEBZ-SFHVURJKSA-N 2 3 324.557 2.066 20 0 DEADHP CCN1CCC[C@@H]1C[N@H+](CCN(C)C)CC1CC[NH+](CC)CC1 ZINC001308743327 1147485334 /nfs/dbraw/zinc/48/53/34/1147485334.db2.gz SXUVMGWHEGYVMR-LJQANCHMSA-N 2 3 324.557 2.066 20 0 DEADHP CCN1CCC[C@@H]1C[N@@H+](CCN(C)C)CC1CC[NH+](CC)CC1 ZINC001308743327 1147485336 /nfs/dbraw/zinc/48/53/36/1147485336.db2.gz SXUVMGWHEGYVMR-LJQANCHMSA-N 2 3 324.557 2.066 20 0 DEADHP C[C@@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876611 230255218 /nfs/dbraw/zinc/25/52/18/230255218.db2.gz GMUPQDJONNOXLZ-MDMSPXHWSA-N 2 3 311.514 2.086 20 0 DEADHP C[C@@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422876611 230255222 /nfs/dbraw/zinc/25/52/22/230255222.db2.gz GMUPQDJONNOXLZ-MDMSPXHWSA-N 2 3 311.514 2.086 20 0 DEADHP CN(C)CCOc1cccc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422903216 230269763 /nfs/dbraw/zinc/26/97/63/230269763.db2.gz VTGQLGUKASHGGE-UHFFFAOYSA-N 2 3 305.466 2.234 20 0 DEADHP C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000422907976 230272951 /nfs/dbraw/zinc/27/29/51/230272951.db2.gz CNDAGWOQBSGFEZ-UJWQCDCRSA-N 2 3 323.525 2.386 20 0 DEADHP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423081994 534067935 /nfs/dbraw/zinc/06/79/35/534067935.db2.gz CGHQDNZQXORUBY-NEWSRXKRSA-N 2 3 301.478 2.486 20 0 DEADHP CC[NH+](CC)CCOCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423029933 528143713 /nfs/dbraw/zinc/14/37/13/528143713.db2.gz ATKGCVCNZAPKAB-FGTMMUONSA-N 2 3 311.514 2.245 20 0 DEADHP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000422906696 528834148 /nfs/dbraw/zinc/83/41/48/528834148.db2.gz AFQZSKPHZSNDDP-KFKAGJAMSA-N 2 3 319.493 2.369 20 0 DEADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000422906696 528834153 /nfs/dbraw/zinc/83/41/53/528834153.db2.gz AFQZSKPHZSNDDP-KFKAGJAMSA-N 2 3 319.493 2.369 20 0 DEADHP CC(C)(C)CC[C@@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000904388021 643657958 /nfs/dbraw/zinc/65/79/58/643657958.db2.gz AIBOASSETDZGGY-NXHRZFHOSA-N 2 3 322.541 2.041 20 0 DEADHP CC(C)(C)CC[C@@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000904388021 643657965 /nfs/dbraw/zinc/65/79/65/643657965.db2.gz AIBOASSETDZGGY-NXHRZFHOSA-N 2 3 322.541 2.041 20 0 DEADHP CC(C)(C)CC[C@@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000904388021 643657968 /nfs/dbraw/zinc/65/79/68/643657968.db2.gz AIBOASSETDZGGY-NXHRZFHOSA-N 2 3 322.541 2.041 20 0 DEADHP C[NH+](C)CCC(C)(C)Nc1cccc(N2CCC([NH3+])CC2)n1 ZINC001158760551 798464781 /nfs/dbraw/zinc/46/47/81/798464781.db2.gz BLMXFIRXQIIWQO-UHFFFAOYSA-N 2 3 305.470 2.151 20 0 DEADHP C[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@H]1CCCC[C@@H]1N ZINC001236215051 1138340637 /nfs/dbraw/zinc/34/06/37/1138340637.db2.gz HBFXNIHNIMEDBN-ROUUACIJSA-N 2 3 312.461 2.446 20 0 DEADHP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@H]1CCCC[C@@H]1N ZINC001236215051 1138340639 /nfs/dbraw/zinc/34/06/39/1138340639.db2.gz HBFXNIHNIMEDBN-ROUUACIJSA-N 2 3 312.461 2.446 20 0 DEADHP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCOC3(CC[NH2+]CC3)C2)CCN1 ZINC001246256073 1140878246 /nfs/dbraw/zinc/87/82/46/1140878246.db2.gz NLQNVYRIOMRJOE-OAGGEKHMSA-N 2 3 309.498 2.044 20 0 DEADHP Fc1cccc(C2(CN[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[NH2+]CC2)c1 ZINC001246386278 1140892183 /nfs/dbraw/zinc/89/21/83/1140892183.db2.gz HJUHFJCERLOQAF-BCDXTJNWSA-N 2 3 317.452 2.320 20 0 DEADHP CC(C)(C)[C@@H]1C[C@H](N2CCC(OC3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246657924 1141028038 /nfs/dbraw/zinc/02/80/38/1141028038.db2.gz ANOZZZUHEPGQPB-QAPCUYQASA-N 2 3 323.525 2.386 20 0 DEADHP c1cc(N2CCC(N3CC[C@H]4[NH2+]CCC[C@H]4C3)CC2)cc[nH+]1 ZINC001247016465 1141249429 /nfs/dbraw/zinc/24/94/29/1141249429.db2.gz VRMLTKYJTYOBSZ-MAUKXSAKSA-N 2 3 300.450 2.124 20 0 DEADHP CCCC[N@H+](C)CCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678100 1143861489 /nfs/dbraw/zinc/86/14/89/1143861489.db2.gz KRSJAWZFNRNNEC-UHFFFAOYSA-N 2 3 311.514 2.341 20 0 DEADHP CCCC[N@@H+](C)CCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678100 1143861490 /nfs/dbraw/zinc/86/14/90/1143861490.db2.gz KRSJAWZFNRNNEC-UHFFFAOYSA-N 2 3 311.514 2.341 20 0 DEADHP CC(C)[NH+]1CCC(C[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256677262 1143861522 /nfs/dbraw/zinc/86/15/22/1143861522.db2.gz AJDUBQUARVTSEE-UHFFFAOYSA-N 2 3 323.525 2.340 20 0 DEADHP CCCN1C[C@@H]2C[N@H+](C3CCN(c4cc[nH+]cc4)CC3)C[C@@H]2C1 ZINC001256865339 1143872122 /nfs/dbraw/zinc/87/21/22/1143872122.db2.gz YXBICLZVZAABOT-CALCHBBNSA-N 2 3 314.477 2.324 20 0 DEADHP CCCN1C[C@@H]2C[N@@H+](C3CCN(c4cc[nH+]cc4)CC3)C[C@@H]2C1 ZINC001256865339 1143872124 /nfs/dbraw/zinc/87/21/24/1143872124.db2.gz YXBICLZVZAABOT-CALCHBBNSA-N 2 3 314.477 2.324 20 0 DEADHP CN(C)CCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000657182842 425276122 /nfs/dbraw/zinc/27/61/22/425276122.db2.gz NVHQVWNNLKLJMF-SFHVURJKSA-N 2 3 319.493 2.449 20 0 DEADHP CN(C)CCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000657182842 425276123 /nfs/dbraw/zinc/27/61/23/425276123.db2.gz NVHQVWNNLKLJMF-SFHVURJKSA-N 2 3 319.493 2.449 20 0 DEADHP C([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000657537289 425358793 /nfs/dbraw/zinc/35/87/93/425358793.db2.gz GXACUVHCLBVIGG-HKUYNNGSSA-N 2 3 321.509 2.094 20 0 DEADHP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000444593766 528146562 /nfs/dbraw/zinc/14/65/62/528146562.db2.gz GZIRWNZXLUQBKG-GOSISDBHSA-N 2 3 311.514 2.295 20 0 DEADHP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000444593766 528146565 /nfs/dbraw/zinc/14/65/65/528146565.db2.gz GZIRWNZXLUQBKG-GOSISDBHSA-N 2 3 311.514 2.295 20 0 DEADHP CCO[C@H](CC[NH+](C)C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903110155 643252086 /nfs/dbraw/zinc/25/20/86/643252086.db2.gz MAFBBQIVSZTGHL-NXCDMZCRSA-N 2 3 309.498 2.091 20 0 DEADHP CCO[C@H](CC[NH+](C)C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903110155 643252088 /nfs/dbraw/zinc/25/20/88/643252088.db2.gz MAFBBQIVSZTGHL-NXCDMZCRSA-N 2 3 309.498 2.091 20 0 DEADHP NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333492 643638973 /nfs/dbraw/zinc/63/89/73/643638973.db2.gz ARKKFEVNPZFSSO-OKYOBFRVSA-N 2 3 301.478 2.396 20 0 DEADHP NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904333492 643638974 /nfs/dbraw/zinc/63/89/74/643638974.db2.gz ARKKFEVNPZFSSO-OKYOBFRVSA-N 2 3 301.478 2.396 20 0 DEADHP C[C@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1CN ZINC001205130474 800301958 /nfs/dbraw/zinc/30/19/58/800301958.db2.gz FIMOXBASZSUSCL-QFBILLFUSA-N 2 3 301.478 2.425 20 0 DEADHP C[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1CN ZINC001205130474 800301963 /nfs/dbraw/zinc/30/19/63/800301963.db2.gz FIMOXBASZSUSCL-QFBILLFUSA-N 2 3 301.478 2.425 20 0 DEADHP CC(C)N1CCN(C2CC[NH+](CCCCCCC[NH3+])CC2)CC1 ZINC001575700693 1066405721 /nfs/dbraw/zinc/40/57/21/1066405721.db2.gz TUITXTSBMJVBKS-UHFFFAOYSA-N 2 3 324.557 2.386 20 0 DEADHP C[N@@H+]1CCC[C@H](CCN[C@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC001578529530 1067126732 /nfs/dbraw/zinc/12/67/32/1067126732.db2.gz XPJKGEJVNIOGRI-QRQLOZEOSA-N 2 3 301.478 2.454 20 0 DEADHP C[N@H+]1CCC[C@H](CCN[C@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC001578529530 1067126734 /nfs/dbraw/zinc/12/67/34/1067126734.db2.gz XPJKGEJVNIOGRI-QRQLOZEOSA-N 2 3 301.478 2.454 20 0 DEADHP C[NH2+]CCCN(Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542815 1138372393 /nfs/dbraw/zinc/37/23/93/1138372393.db2.gz IEGZKYSVRFISJH-QAQDUYKDSA-N 2 3 305.466 2.377 20 0 DEADHP [NH3+][C@H]1CC[C@H](N(Cc2ccncc2)C[C@@H]2CCC[NH2+]C2)CC1 ZINC001236561966 1138375793 /nfs/dbraw/zinc/37/57/93/1138375793.db2.gz RMKBFSKRASTFEW-KZNAEPCWSA-N 2 3 302.466 2.153 20 0 DEADHP C[NH+]1C(C)(C)CC(NC[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1(C)C ZINC001246152470 1140867190 /nfs/dbraw/zinc/86/71/90/1140867190.db2.gz YZWWDIXUJXCIBG-HNNXBMFYSA-N 2 3 322.541 2.102 20 0 DEADHP C[C@@H]1CC([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)C[C@@H](C)N1 ZINC001246373370 1140889604 /nfs/dbraw/zinc/88/96/04/1140889604.db2.gz HGHLPNBOPPNKQN-HZPDHXFCSA-N 2 3 301.478 2.426 20 0 DEADHP c1ccc(C[C@@H]2C[C@@H](N3CCC(C4C[NH2+]C4)CC3)CC[NH2+]2)cc1 ZINC001246678930 1141033411 /nfs/dbraw/zinc/03/34/11/1141033411.db2.gz ONTFOCNLNYDNGK-UXHICEINSA-N 2 3 313.489 2.281 20 0 DEADHP c1ccc2c(c1)CN([C@@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC21CC[NH2+]CC1 ZINC001246861328 1141092270 /nfs/dbraw/zinc/09/22/70/1141092270.db2.gz OYYMZEVDFFROLK-BCDXTJNWSA-N 2 3 311.473 2.406 20 0 DEADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]CC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000309694668 403962112 /nfs/dbraw/zinc/96/21/12/403962112.db2.gz CZDIXLROELQUQR-ZCNNSNEGSA-N 2 3 313.489 2.486 20 0 DEADHP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000105480331 524900200 /nfs/dbraw/zinc/90/02/00/524900200.db2.gz BVBSQTXSIXJLGC-APWZRJJASA-N 2 3 319.493 2.447 20 0 DEADHP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000105480331 524900209 /nfs/dbraw/zinc/90/02/09/524900209.db2.gz BVBSQTXSIXJLGC-APWZRJJASA-N 2 3 319.493 2.447 20 0 DEADHP CC[NH+](CC)CCOCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423029936 528143212 /nfs/dbraw/zinc/14/32/12/528143212.db2.gz ATKGCVCNZAPKAB-RCCFBDPRSA-N 2 3 311.514 2.245 20 0 DEADHP CC[NH+](CC)Cc1cccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000422695298 528195421 /nfs/dbraw/zinc/19/54/21/528195421.db2.gz PGMBLQAPXUJKNK-ZYSHUDEJSA-N 2 3 319.493 2.370 20 0 DEADHP CC(C)C[C@H](CN)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423262570 528519858 /nfs/dbraw/zinc/51/98/58/528519858.db2.gz MSUJKYQUFZEWPX-HFTRVMKXSA-N 2 3 303.450 2.205 20 0 DEADHP CCN1CCN(Cc2ccc(C[NH2+][C@H](C)CCC[NH3+])cc2)CC1 ZINC000422889554 529149052 /nfs/dbraw/zinc/14/90/52/529149052.db2.gz GMVYBBUIETVGOP-QGZVFWFLSA-N 2 3 318.509 2.041 20 0 DEADHP CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000422896667 529149783 /nfs/dbraw/zinc/14/97/83/529149783.db2.gz YNUUKHMOUQQJHH-KRWDZBQOSA-N 2 3 318.509 2.041 20 0 DEADHP C[C@@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CNC1 ZINC000902518397 643062688 /nfs/dbraw/zinc/06/26/88/643062688.db2.gz QGUOZLJINPZMMG-PHXBYCTMSA-N 2 3 313.489 2.485 20 0 DEADHP C[C@@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CNC1 ZINC000902518397 643062689 /nfs/dbraw/zinc/06/26/89/643062689.db2.gz QGUOZLJINPZMMG-PHXBYCTMSA-N 2 3 313.489 2.485 20 0 DEADHP